diff --git a/docs/tutorials/contingency_analysis.md b/docs/tutorials/contingency_analysis.md deleted file mode 100644 index f894230..0000000 --- a/docs/tutorials/contingency_analysis.md +++ /dev/null @@ -1,325 +0,0 @@ -👉 [Link](https://colab.research.google.com/github/gridfm/gridfm-graphkit/blob/main/examples/notebooks/Tutorial_contingency_analisys.ipynb) to the tutorial on Google Colab - ---- -Contingency analysis is a critical process in power system operations used to assess the impact of potential failures (e.g., line outages) on grid stability and reliability. It helps operators prepare for unexpected events by simulating scenarios such as N-1 or N-2 contingencies, where one or more components are removed from service. This analysis ensures that the grid can continue to operate within safe limits even under stressed conditions. - ---- - -## Dataset Generation and Model Evaluation - -The dataset used in this study originates from the Texas transmission grid, which includes approximately 2,000 nodes. Using the contingency mode of the `gridfm-datakit`, we simulated N-2 contingencies by removing up to two transmission lines at a time. For each scenario, we first solved the optimal power flow (OPF) problem to determine the generation dispatch. Then, we applied the contingency by removing lines and re-solved the power flow to observe the resulting grid state. - -This process generated around 100,000 unique scenarios. Our model, **GridFMv0.1**, was fine-tuned on this dataset to predict power flow outcomes. For demonstration purposes, we selected a subsample of 10 scenarios. The `gridfm-datakit` also computed DC power flow results, enabling a comparison between GridFMv0.1 predictions and traditional DC power flow estimates, specifically in terms of line loading accuracy. - -All predictions are benchmarked against the ground truth obtained from AC power flow simulations. Additionally, we analyze bus voltage violations, which GridFM can predict but are not captured by the DC solver, highlighting GridFM’s enhanced capabilities in modeling grid behavior. - -```python -import sys - -if "google.colab" in sys.modules: - try: - !git clone https://github.com/gridfm/gridfm-graphkit.git - %cd /content/gridfm-graphkit - !pip install . - %cd examples/notebooks/ - except Exception as e: - print(f"Failed to start Google Collab setup, due to {e}") -``` - -```python -from gridfm_graphkit.datasets.postprocessing import ( - compute_branch_currents_kA, - compute_loading, -) -from gridfm_graphkit.datasets.postprocessing import create_admittance_matrix -from gridfm_graphkit.utils.utils import compute_cm_metrics -from gridfm_graphkit.utils.visualization import ( - plot_mass_correlation_density, - plot_cm, - plot_loading_predictions, - plot_mass_correlation_density_voltage, -) - -import os -from tqdm import tqdm -import matplotlib.pyplot as plt -from sklearn.metrics import f1_score -import numpy as np -import pandas as pd -``` - -## Load Data - -We load both the ground truth and predicted values of the power flow solution. The predictions are generated using the `gridfm-graphkit` CLI: - -```bash -gridfm-graphkit predict ... -``` - -We then merge the datasets using `scenario` and `bus` as keys, allowing us to align the predicted and actual values for each grid state and bus. - -```python -root_pred_folder = "../data/contingency_texas/" -prediction_dir = "prediction_gridfm01" -label_plot = "GridFM_v0.1 Fine-tuned" - -pf_node_GT = pd.read_csv(os.path.join(root_pred_folder, "pf_node_10_examples.csv")) -pg_node_predicted = pd.read_csv( - os.path.join(root_pred_folder, "predictions_10_examples.csv") -) - -branch_idx_removed = pd.read_csv("{}branch_idx_removed.csv".format(root_pred_folder)) -edge_params = pd.read_csv("{}edge_params.csv".format(root_pred_folder)) -bus_params = pd.read_csv("{}bus_params.csv".format(root_pred_folder)) - -pf_node = pg_node_predicted.merge(pf_node_GT, on=["scenario", "bus"], how="left") -``` - -## Create Admittance matrix - -```python -sn_mva = 100 -Yf, Yt, Vf_base_kV, Vt_base_kV = create_admittance_matrix( - bus_params, edge_params, sn_mva -) -rate_a = edge_params["rate_a"] -``` - -## Correct voltage predictions for GridFM and DC - -```python -pf_node["Vm_pred_corrected"] = pf_node["VM_pred"] -pf_node["Va_pred_corrected"] = pf_node["VA_pred"] - -pf_node.loc[pf_node.PV == 1, "Vm_pred_corrected"] = pf_node.loc[pf_node.PV == 1, "Vm"] -pf_node.loc[pf_node.REF == 1, "Va_pred_corrected"] = pf_node.loc[pf_node.REF == 1, "Va"] - -pf_node["Vm_dc_corrected"] = pf_node["Vm_dc"] -pf_node["Va_dc_corrected"] = pf_node["Va_dc"] - -pf_node.loc[pf_node.PV == 1, "Vm_dc_corrected"] = pf_node.loc[pf_node.PV == 1, "Vm"] -pf_node.loc[pf_node.REF == 1, "Va_dc_corrected"] = pf_node.loc[pf_node.REF == 1, "Va"] -``` - -## Compute branch current and line loading - -```python -loadings = [] -loadings_pred = [] -loadings_dc = [] - -for scenario_idx in tqdm(pf_node.scenario.unique()): - pf_node_scenario = pf_node[pf_node.scenario == scenario_idx] - branch_idx_removed_scenario = ( - branch_idx_removed[branch_idx_removed.scenario == scenario_idx] - .iloc[:, 1:] - .values - ) - # remove nan - branch_idx_removed_scenario = branch_idx_removed_scenario[ - ~np.isnan(branch_idx_removed_scenario) - ].astype(np.int32) - V_true = pf_node_scenario["Vm"].values * np.exp( - 1j * pf_node_scenario["Va"].values * np.pi / 180 - ) - V_pred = pf_node_scenario["Vm_pred_corrected"].values * np.exp( - 1j * pf_node_scenario["Va_pred_corrected"].values * np.pi / 180 - ) - V_dc = pf_node_scenario["Vm_dc_corrected"].values * np.exp( - 1j * pf_node_scenario["Va_dc_corrected"].values * np.pi / 180 - ) - If_true, It_true = compute_branch_currents_kA( - Yf, Yt, V_true, Vf_base_kV, Vt_base_kV, sn_mva - ) - If_pred, It_pred = compute_branch_currents_kA( - Yf, Yt, V_pred, Vf_base_kV, Vt_base_kV, sn_mva - ) - If_dc, It_dc = compute_branch_currents_kA( - Yf, Yt, V_dc, Vf_base_kV, Vt_base_kV, sn_mva - ) - - loading_true = compute_loading(If_true, It_true, Vf_base_kV, Vt_base_kV, rate_a) - loading_pred = compute_loading(If_pred, It_pred, Vf_base_kV, Vt_base_kV, rate_a) - loading_dc = compute_loading(If_dc, It_dc, Vf_base_kV, Vt_base_kV, rate_a) - - # remove the branches that are removed from loading - loading_true[branch_idx_removed_scenario] = -1 - loading_pred[branch_idx_removed_scenario] = -1 - loading_dc[branch_idx_removed_scenario] = -1 - - loadings.append(loading_true) - loadings_pred.append(loading_pred) - loadings_dc.append(loading_dc) - - -loadings = np.array(loadings) -loadings_pred = np.array(loadings_pred) -loadings_dc = np.array(loadings_dc) -removed_lines = loadings == -1 -removed_lines_pred = loadings_pred == -1 -removed_lines_dc = loadings_dc == -1 - - -# assert the same lines are removed -assert (removed_lines == removed_lines_pred).all() -assert (removed_lines == removed_lines_dc).all() - -# assert the same number of lines are removed -assert removed_lines.sum() == removed_lines_pred.sum() -assert removed_lines.sum() == removed_lines_dc.sum() - -overloadings = loadings[removed_lines == False] > 1.0 -overloadings_pred = loadings_pred[removed_lines == False] > 1.0 -overloadings_dc = loadings_dc[removed_lines == False] > 1.0 -``` - -## Histogram of true line loadings - -```python -plt.hist(loadings[removed_lines == False], bins=100) -plt.xlabel("Line Loadings") -plt.ylabel("Frequency") -# log scale -plt.savefig(f"loadings_histogram_{prediction_dir}.png") -plt.show() -``` -

- True loading -
-

- - -## Predicted vs True line loading - -```python -# Valid lines -valid_mask = removed_lines == False - -# Extract valid values -true_vals = loadings[valid_mask] -gfm_vals = loadings_pred[valid_mask] -dc_vals = loadings_dc[valid_mask] -``` - -```python -plot_mass_correlation_density(true_vals, gfm_vals, prediction_dir, label_plot) -``` -

- Loading gridfm -
-

- -```python -plot_mass_correlation_density(true_vals, dc_vals, "DC", "DC Solver") -``` -

- Loading DC -
-

- -```python -plot_cm(TN_gridfm, FP_gridfm, FN_gridfm, TP_gridfm, prediction_dir, label_plot) -``` -

- Confusion gridfm -
-

- -```python -plot_cm(TN_dc, FP_dc, FN_dc, TP_dc, "DC", "DC Solver") -``` -

- Confusion DC -
-

- - -```python -# Histograms of loadings -plot_loading_predictions( - loadings_pred[removed_lines == False], - loadings_dc[removed_lines == False], - loadings[removed_lines == False], - prediction_dir, - label_plot, -) -``` -

- Loading predictions -
-

- - -```python -# create df from loadings -loadings_df = pd.DataFrame(loadings) -loadings_df.columns = [f"branch_{i}" for i in range(loadings_df.shape[1])] - -loadings_pred_df = pd.DataFrame(loadings_pred) -loadings_pred_df.columns = [f"branch_{i}" for i in range(loadings_pred_df.shape[1])] - -loadings_df["scenario"] = pf_node["scenario"].unique() -loadings_pred_df["scenario"] = pf_node["scenario"].unique() - -# make bar plot of wrongly classified loadings for different bins -bins = np.arange(0, 2.2, 0.2) -mse_pred = [] -mse_dc = [] -for i in range(len(bins) - 1): - idx_in_bins = (loadings[removed_lines == False] > bins[i]) & ( - loadings[removed_lines == False] < bins[i + 1] - ) - mse_pred.append( - np.mean( - ( - loadings_pred[removed_lines == False][idx_in_bins] - - loadings[removed_lines == False][idx_in_bins] - ) - ** 2 - ) - ) - mse_dc.append( - np.mean( - ( - loadings_dc[removed_lines == False][idx_in_bins] - - loadings[removed_lines == False][idx_in_bins] - ) - ** 2 - ) - ) - - -# labels -labels = [f"{bins[i]:.1f}-{bins[i + 1]:.1f}" for i in range(len(bins) - 1)] -plt.bar(labels, mse_pred, label=label_plot, alpha=0.5) -plt.bar(labels, mse_dc, label="DC", alpha=0.5) -plt.legend() -plt.xlabel("Loadings") -plt.ylabel("MSE") -# y log scale -plt.yscale("log") -# rotate x labels -plt.xticks(rotation=45) -plt.savefig(f"loading_mse_{prediction_dir}.png") -plt.show() -``` - -

- MSE loading -
-

- - -## Voltage violations - -```python -# merge bus_params["vmax"] and bus_params["vmin"] with pf_node on bus_idx -pf_node = pd.merge(pf_node, bus_params[["bus", "vmax", "vmin"]], on="bus", how="left") - -plot_mass_correlation_density_voltage(pf_node, prediction_dir, label_plot) -``` - -

- Correlation voltage -
-

diff --git a/docs/tutorials/feature_reconstruction.md b/docs/tutorials/feature_reconstruction.md deleted file mode 100644 index 01a502a..0000000 --- a/docs/tutorials/feature_reconstruction.md +++ /dev/null @@ -1,200 +0,0 @@ -👉 [Link](https://colab.research.google.com/github/gridfm/gridfm-graphkit/blob/main/examples/notebooks/Tutorial_reconstruction_visualization.ipynb) to the tutorial on Google Colab - ---- -This notebook demonstrates the state reconstruction capabilities of **GridFM-v0.2**, a graph-based neural network model for transmission grids. We focus on the IEEE case30 network, a standard benchmark with 30 buses, chosen for its compact size and suitability for visualization. - -The dataset includes **1,023 load scenarios**, each representing a different operating condition of the grid. For each scenario, the model reconstructs the six key features of the power flow solution that are masked: - -- Active Power Demand (MW) -- Reactive Power Demand (MVar) -- Active Power Generated (MW) -- Reactive Power Generated (MVar) -- Voltage Magnitude (p.u.) -- Voltage Angle (degrees) - -```python -import sys - -if "google.colab" in sys.modules: - try: - !git clone https://github.com/gridfm/gridfm-graphkit.git - %cd /content/gridfm-graphkit - !pip install . - %cd examples/notebooks/ - except Exception as e: - print(f"Failed to start Google Collab setup, due to {e}") -``` - -```python -from gridfm_graphkit.datasets.powergrid_datamodule import LitGridDataModule -from gridfm_graphkit.io.param_handler import NestedNamespace -from gridfm_graphkit.tasks.feature_reconstruction_task import FeatureReconstructionTask -from gridfm_graphkit.utils.visualization import visualize_error, visualize_quantity_heatmap -from gridfm_graphkit.datasets.globals import PD, QD, PG, QG, VM, VA - -import yaml -import torch -import numpy as np -import random -``` - -## Load YAML configuration file - -```python -config_path = "../config/case30_ieee_base.yaml" -with open(config_path) as f: - config_dict = yaml.safe_load(f) - -config_args = NestedNamespace(**config_dict) -torch.manual_seed(config_args.seed) -random.seed(config_args.seed) -np.random.seed(config_args.seed) -``` - -## Initialize the DataModule - -```python -data_module = LitGridDataModule(config_args, "../data") -data_module.setup("test") -test_loader = data_module.test_dataloader() -``` - -## Load the pre-trained model GridFM-v0.2 - -```python -model = FeatureReconstructionTask( - config_args, data_module.node_normalizers, data_module.edge_normalizers -) -state_dict = torch.load("../models/GridFM_v0_2.pth") -model.load_state_dict(state_dict) -``` - -## Perform inference, batch size is equal to 1 for further visualization purposes - -```python -batch = next(iter(test_loader[0])) - -model.eval() -with torch.no_grad(): - output = model( - x=batch.x, - pe=batch.pe, - edge_index=batch.edge_index, - edge_attr=batch.edge_attr, - batch=batch.batch, - mask=batch.mask, - ) -``` - -## Visualize Nodal Active Power Residuals - -```python -visualize_error(batch, output, data_module.node_normalizers[0]) -``` - -

- Active Residual -
-

- - -## Visualize the state reconstruction capability of gridFM-v0.2 for each feature: -- Active Power Demand (MW) -- Reactive Power Demand (MVar) -- Active Power Generated (MW) -- Reactive Power Generated (MVar) -- Voltage Magnitude (p.u.) -- Voltage Angle (degrees) - -```python -visualize_quantity_heatmap( - batch, - output, - PD, - "Active Power Demand", - "MW", - data_module.node_normalizers[0], -) -``` -

- Active demand -
-

- - -```python -visualize_quantity_heatmap( - batch, - output, - QD, - "Reactive Power Demand", - "MVar", - data_module.node_normalizers[0], -) -``` -

- Reactive demand -
-

- - - -```python -visualize_quantity_heatmap( - batch, - output, - PG, - "Active Power Generated", - "MW", - data_module.node_normalizers[0], -) -``` -

- Active generated -
-

- -```python -visualize_quantity_heatmap( - batch, - output, - QG, - "Reactive Power Generated", - "MVar", - data_module.node_normalizers[0], -) -``` -

- Reactive generated -
-

- -```python -visualize_quantity_heatmap( - batch, - output, - VM, - "Voltage magnitude", - "p.u.", - data_module.node_normalizers[0], -) -``` -

- Voltage magnitude -
-

- -```python -visualize_quantity_heatmap( - batch, - output, - VA, - "Voltage Angle", - "degrees", - data_module.node_normalizers[0], -) -``` -

- Voltage angle -
-

diff --git a/examples/config/HGNS_OPFData_case118.yaml b/examples/config/HGNS_OPFData_case118.yaml new file mode 100644 index 0000000..3f57ac9 --- /dev/null +++ b/examples/config/HGNS_OPFData_case118.yaml @@ -0,0 +1,52 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: OptimalPowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case118_ieee + scenarios: + - 300000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 16 +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 64 + epochs: 200 + loss_weights: + - 0.1 + - 0.1 + - 0.8 + losses: + - LayeredWeightedPhysics + - MaskedGenMSE + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + - {} + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/examples/config/HGNS_OPFData_case14.yaml b/examples/config/HGNS_OPFData_case14.yaml new file mode 100644 index 0000000..714995d --- /dev/null +++ b/examples/config/HGNS_OPFData_case14.yaml @@ -0,0 +1,52 @@ +task: + task_name: OptimalPowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case14_ieee + scenarios: + - 300000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 32 +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 64 + epochs: 200 + loss_weights: + - 0.1 + - 0.1 + - 0.8 + losses: + - LayeredWeightedPhysics + - MaskedGenMSE + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + - {} + accelerator: auto + devices: auto + strategy: auto +verbose: true +callbacks: + patience: 100 + tol: 0 diff --git a/examples/config/HGNS_OPFData_case2000.yaml b/examples/config/HGNS_OPFData_case2000.yaml new file mode 100644 index 0000000..3ec576e --- /dev/null +++ b/examples/config/HGNS_OPFData_case2000.yaml @@ -0,0 +1,52 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: OptimalPowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case2000_goc + scenarios: + - 300000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 16 +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 16 + epochs: 200 + loss_weights: + - 0.1 + - 0.1 + - 0.8 + losses: + - LayeredWeightedPhysics + - MaskedGenMSE + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + - {} + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/examples/config/HGNS_OPFData_case30.yaml b/examples/config/HGNS_OPFData_case30.yaml new file mode 100644 index 0000000..f8bba01 --- /dev/null +++ b/examples/config/HGNS_OPFData_case30.yaml @@ -0,0 +1,52 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: OptimalPowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case30_ieee + scenarios: + - 300000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 32 +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 64 + epochs: 200 + loss_weights: + - 0.1 + - 0.1 + - 0.8 + losses: + - LayeredWeightedPhysics + - MaskedGenMSE + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + - {} + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/examples/config/HGNS_OPFData_case500.yaml b/examples/config/HGNS_OPFData_case500.yaml new file mode 100644 index 0000000..442eac7 --- /dev/null +++ b/examples/config/HGNS_OPFData_case500.yaml @@ -0,0 +1,52 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: OptimalPowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case500_goc + scenarios: + - 300000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 16 +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 16 + epochs: 200 + loss_weights: + - 0.1 + - 0.1 + - 0.8 + losses: + - LayeredWeightedPhysics + - MaskedGenMSE + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + - {} + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/examples/config/HGNS_OPFData_case57.yaml b/examples/config/HGNS_OPFData_case57.yaml new file mode 100644 index 0000000..024efa8 --- /dev/null +++ b/examples/config/HGNS_OPFData_case57.yaml @@ -0,0 +1,52 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: OptimalPowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case57_ieee + scenarios: + - 300000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 32 +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 64 + epochs: 200 + loss_weights: + - 0.1 + - 0.1 + - 0.8 + losses: + - LayeredWeightedPhysics + - MaskedGenMSE + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + - {} + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/examples/config/HGNS_OPF_datakit_case118.yaml b/examples/config/HGNS_OPF_datakit_case118.yaml new file mode 100644 index 0000000..787c397 --- /dev/null +++ b/examples/config/HGNS_OPF_datakit_case118.yaml @@ -0,0 +1,53 @@ +task: + task_name: OptimalPowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case118_ieee + scenarios: + - 250000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 16 + split_by_load_scenario_idx: true +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +training: + batch_size: 64 + epochs: 200 + loss_weights: + - 0.1 + - 0.1 + - 0.8 + losses: + - LayeredWeightedPhysics + - MaskedGenMSE + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + - {} + accelerator: auto + devices: auto + strategy: auto +seed: 0 +verbose: true +callbacks: + patience: 100 + tol: 0 diff --git a/examples/config/HGNS_OPF_datakit_case14.yaml b/examples/config/HGNS_OPF_datakit_case14.yaml new file mode 100644 index 0000000..4ed0aa7 --- /dev/null +++ b/examples/config/HGNS_OPF_datakit_case14.yaml @@ -0,0 +1,53 @@ +task: + task_name: OptimalPowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case14_ieee + scenarios: + - 250000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 32 + split_by_load_scenario_idx: true +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +training: + batch_size: 64 + epochs: 200 + loss_weights: + - 0.1 + - 0.1 + - 0.8 + losses: + - LayeredWeightedPhysics + - MaskedGenMSE + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + - {} + accelerator: auto + devices: auto + strategy: auto +seed: 0 +verbose: true +callbacks: + patience: 100 + tol: 0 diff --git a/examples/config/HGNS_OPF_datakit_case2000.yaml b/examples/config/HGNS_OPF_datakit_case2000.yaml new file mode 100644 index 0000000..83dc1f1 --- /dev/null +++ b/examples/config/HGNS_OPF_datakit_case2000.yaml @@ -0,0 +1,53 @@ +task: + task_name: OptimalPowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case2000_goc + scenarios: + - 250000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 16 + split_by_load_scenario_idx: true +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +training: + batch_size: 16 + epochs: 200 + loss_weights: + - 0.1 + - 0.1 + - 0.8 + losses: + - LayeredWeightedPhysics + - MaskedGenMSE + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + - {} + accelerator: auto + devices: auto + strategy: auto +seed: 0 +verbose: true +callbacks: + patience: 100 + tol: 0 diff --git a/examples/config/HGNS_OPF_datakit_case30.yaml b/examples/config/HGNS_OPF_datakit_case30.yaml new file mode 100644 index 0000000..4864d43 --- /dev/null +++ b/examples/config/HGNS_OPF_datakit_case30.yaml @@ -0,0 +1,53 @@ +task: + task_name: OptimalPowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case30_ieee + scenarios: + - 250000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 32 + split_by_load_scenario_idx: true +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +training: + batch_size: 64 + epochs: 200 + loss_weights: + - 0.1 + - 0.1 + - 0.8 + losses: + - LayeredWeightedPhysics + - MaskedGenMSE + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + - {} + accelerator: auto + devices: auto + strategy: auto +seed: 0 +verbose: true +callbacks: + patience: 100 + tol: 0 diff --git a/examples/config/HGNS_OPF_datakit_case500.yaml b/examples/config/HGNS_OPF_datakit_case500.yaml new file mode 100644 index 0000000..e1231aa --- /dev/null +++ b/examples/config/HGNS_OPF_datakit_case500.yaml @@ -0,0 +1,53 @@ +task: + task_name: OptimalPowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case500_goc + scenarios: + - 250000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 16 + split_by_load_scenario_idx: true +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +training: + batch_size: 16 + epochs: 200 + loss_weights: + - 0.1 + - 0.1 + - 0.8 + losses: + - LayeredWeightedPhysics + - MaskedGenMSE + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + - {} + accelerator: auto + devices: auto + strategy: auto +seed: 0 +verbose: true +callbacks: + patience: 100 + tol: 0 diff --git a/examples/config/HGNS_OPF_datakit_case57.yaml b/examples/config/HGNS_OPF_datakit_case57.yaml new file mode 100644 index 0000000..dd61bdb --- /dev/null +++ b/examples/config/HGNS_OPF_datakit_case57.yaml @@ -0,0 +1,53 @@ +task: + task_name: OptimalPowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case57_ieee + scenarios: + - 250000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 32 + split_by_load_scenario_idx: true +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +training: + batch_size: 64 + epochs: 200 + loss_weights: + - 0.1 + - 0.1 + - 0.8 + losses: + - LayeredWeightedPhysics + - MaskedGenMSE + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + - {} + accelerator: auto + devices: auto + strategy: auto +seed: 0 +verbose: true +callbacks: + patience: 100 + tol: 0 diff --git a/examples/config/HGNS_PF_datakit_case118.yaml b/examples/config/HGNS_PF_datakit_case118.yaml new file mode 100644 index 0000000..2a72808 --- /dev/null +++ b/examples/config/HGNS_PF_datakit_case118.yaml @@ -0,0 +1,50 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: PowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case118_ieee + scenarios: + - 250000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 16 + split_by_load_scenario_idx: true +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 64 + epochs: 200 + loss_weights: + - 0.1 + - 0.9 + losses: + - LayeredWeightedPhysics + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/examples/config/HGNS_PF_datakit_case14.yaml b/examples/config/HGNS_PF_datakit_case14.yaml new file mode 100644 index 0000000..bf5b621 --- /dev/null +++ b/examples/config/HGNS_PF_datakit_case14.yaml @@ -0,0 +1,51 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: PowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case14_ieee + scenarios: + - 250000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 32 + split_by_load_scenario_idx: true +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 64 + epochs: 200 + loss_weights: + - 0.1 + - 0.9 + losses: + - LayeredWeightedPhysics + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + base_weight: 0.5 + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/examples/config/HGNS_PF_datakit_case2000.yaml b/examples/config/HGNS_PF_datakit_case2000.yaml new file mode 100644 index 0000000..b5f9b5b --- /dev/null +++ b/examples/config/HGNS_PF_datakit_case2000.yaml @@ -0,0 +1,50 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: PowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case2000_goc + scenarios: + - 250000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 16 + split_by_load_scenario_idx: true +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 16 + epochs: 200 + loss_weights: + - 0.1 + - 0.9 + losses: + - LayeredWeightedPhysics + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/examples/config/HGNS_PF_datakit_case30.yaml b/examples/config/HGNS_PF_datakit_case30.yaml new file mode 100644 index 0000000..14a8f74 --- /dev/null +++ b/examples/config/HGNS_PF_datakit_case30.yaml @@ -0,0 +1,50 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: PowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case30_ieee + scenarios: + - 100 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 1 + split_by_load_scenario_idx: true +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 16 + epochs: 200 + loss_weights: + - 0.1 + - 0.9 + losses: + - LayeredWeightedPhysics + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/examples/config/HGNS_PF_datakit_case500.yaml b/examples/config/HGNS_PF_datakit_case500.yaml new file mode 100644 index 0000000..8ca53d9 --- /dev/null +++ b/examples/config/HGNS_PF_datakit_case500.yaml @@ -0,0 +1,50 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: PowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case500_goc + scenarios: + - 250000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 16 + split_by_load_scenario_idx: true +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 16 + epochs: 200 + loss_weights: + - 0.1 + - 0.9 + losses: + - LayeredWeightedPhysics + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/examples/config/HGNS_PF_datakit_case57.yaml b/examples/config/HGNS_PF_datakit_case57.yaml new file mode 100644 index 0000000..e176bbd --- /dev/null +++ b/examples/config/HGNS_PF_datakit_case57.yaml @@ -0,0 +1,50 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: PowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case57_ieee + scenarios: + - 250000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 32 + split_by_load_scenario_idx: true +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 64 + epochs: 200 + loss_weights: + - 0.1 + - 0.9 + losses: + - LayeredWeightedPhysics + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/examples/config/HGNS_PF_pfdelta_case118.yaml b/examples/config/HGNS_PF_pfdelta_case118.yaml new file mode 100644 index 0000000..4220217 --- /dev/null +++ b/examples/config/HGNS_PF_pfdelta_case118.yaml @@ -0,0 +1,54 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: PowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + normalizationMVA: 240 + networks: + - case118_ieee_N_1 + - case118_ieee_N_2 + - case118_ieee_N + scenarios: + - 20000 + - 20000 + - 20000 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 16 +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 64 + epochs: 300 + loss_weights: + - 0.1 + - 0.9 + losses: + - LayeredWeightedPhysics + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/examples/config/HGNS_SE_datakit_case118.yaml b/examples/config/HGNS_SE_datakit_case118.yaml new file mode 100644 index 0000000..6c97a7e --- /dev/null +++ b/examples/config/HGNS_SE_datakit_case118.yaml @@ -0,0 +1,75 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: StateEstimation + noise_type: Gaussian + measurements: + power_inj: + mask_ratio: 0.2 + outlier_ratio: 0.1 + std: 0.02 + power_flow: + mask_ratio: 0.2 + outlier_ratio: 0.1 + std: 0.02 + vm: + mask_ratio: 0.2 + outlier_ratio: 0.1 + std: 0.02 + relative_measurement: true +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case118_ieee + scenarios: + - 100000 + split_by_load_scenario_idx: true + test_ratio: 0.1 + val_ratio: 0.1 + workers: 32 +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 32 + epochs: 200 + losses: + - LossPerDim + - LossPerDim + - LossPerDim + - LossPerDim + loss_weights: + - 0.35 + - 0.35 + - 0.1 + - 0.1 + loss_args: + - dim: VM + loss_str: MAE + - dim: VA + loss_str: MAE + - dim: P_in + loss_str: MAE + - dim: Q_in + loss_str: MAE + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/examples/config/HGNS_SE_datakit_case14.yaml b/examples/config/HGNS_SE_datakit_case14.yaml new file mode 100644 index 0000000..09ad20a --- /dev/null +++ b/examples/config/HGNS_SE_datakit_case14.yaml @@ -0,0 +1,75 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: StateEstimation + noise_type: Gaussian + measurements: + power_inj: + mask_ratio: 0.2 + outlier_ratio: 0.1 + std: 0.02 + power_flow: + mask_ratio: 0.2 + outlier_ratio: 0.1 + std: 0.02 + vm: + mask_ratio: 0.2 + outlier_ratio: 0.1 + std: 0.02 + relative_measurement: true +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case14_ieee + scenarios: + - 100000 + split_by_load_scenario_idx: true + test_ratio: 0.1 + val_ratio: 0.1 + workers: 32 +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 32 + epochs: 200 + losses: + - LossPerDim + - LossPerDim + - LossPerDim + - LossPerDim + loss_weights: + - 0.35 + - 0.35 + - 0.1 + - 0.1 + loss_args: + - dim: VM + loss_str: MAE + - dim: VA + loss_str: MAE + - dim: P_in + loss_str: MAE + - dim: Q_in + loss_str: MAE + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/examples/config/case118_ieee_base.yaml b/examples/config/case118_ieee_base.yaml deleted file mode 100644 index 41de315..0000000 --- a/examples/config/case118_ieee_base.yaml +++ /dev/null @@ -1,41 +0,0 @@ -seed: 42 -data: - networks: ["case118_ieee"] - scenarios: [300000] - normalization: "baseMVAnorm" - baseMVA: 100 - mask_type: "rnd" - mask_value: 0.0 - mask_ratio: 0.5 - mask_dim: 6 - learn_mask: False - val_ratio: 0.1 - test_ratio: 0.1 - workers: 4 -model: - type: "GPSTransformer" - input_dim: 9 - output_dim: 6 - edge_dim: 2 - pe_dim: 20 - num_layers: 8 - hidden_size: 256 - attention_head: 8 - dropout: 0.1 -training: - batch_size: 32 - epochs: 200 - losses: ["MaskedMSE", "PBE"] - loss_weights: [0.01, 0.99] - accelerator: auto - devices: auto - strategy: auto -optimizer: - learning_rate: 0.0001 - beta1: 0.9 - beta2: 0.999 - lr_decay: 0.7 - lr_patience: 10 -callbacks: - patience: 100 - tol: 0 diff --git a/examples/config/case240_pserc_base.yaml b/examples/config/case240_pserc_base.yaml deleted file mode 100644 index 6758061..0000000 --- a/examples/config/case240_pserc_base.yaml +++ /dev/null @@ -1,41 +0,0 @@ -seed: 42 -data: - networks: ["case240_pserc"] - scenarios: [180000] - normalization: "baseMVAnorm" - baseMVA: 100 - mask_type: "rnd" - mask_value: 0.0 - mask_ratio: 0.5 - mask_dim: 6 - learn_mask: False - val_ratio: 0.1 - test_ratio: 0.1 - workers: 4 -model: - type: "GPSTransformer" - input_dim: 9 - output_dim: 6 - edge_dim: 2 - pe_dim: 20 - num_layers: 8 - hidden_size: 256 - attention_head: 8 - dropout: 0.1 -training: - batch_size: 32 - epochs: 200 - losses: ["MaskedMSE", "PBE"] - loss_weights: [0.01, 0.99] - accelerator: auto - devices: auto - strategy: auto -optimizer: - learning_rate: 0.0001 - beta1: 0.9 - beta2: 0.999 - lr_decay: 0.7 - lr_patience: 10 -callbacks: - patience: 100 - tol: 0 diff --git a/examples/config/case24_ieee_rts_base.yaml b/examples/config/case24_ieee_rts_base.yaml deleted file mode 100644 index b912b46..0000000 --- a/examples/config/case24_ieee_rts_base.yaml +++ /dev/null @@ -1,41 +0,0 @@ -seed: 42 -data: - networks: ["case24_ieee_rts"] - scenarios: [300000] - normalization: "baseMVAnorm" - baseMVA: 100 - mask_type: "rnd" - mask_value: 0.0 - mask_ratio: 0.5 - mask_dim: 6 - learn_mask: False - val_ratio: 0.1 - test_ratio: 0.1 - workers: 4 -model: - type: "GPSTransformer" - input_dim: 9 - output_dim: 6 - edge_dim: 2 - pe_dim: 20 - num_layers: 8 - hidden_size: 256 - attention_head: 8 - dropout: 0.1 -training: - batch_size: 32 - epochs: 200 - losses: ["MaskedMSE", "PBE"] - loss_weights: [0.01, 0.99] - accelerator: auto - devices: auto - strategy: auto -optimizer: - learning_rate: 0.0001 - beta1: 0.9 - beta2: 0.999 - lr_decay: 0.7 - lr_patience: 10 -callbacks: - patience: 100 - tol: 0 diff --git a/examples/config/case300_ieee_base.yaml b/examples/config/case300_ieee_base.yaml deleted file mode 100644 index d2fe4c4..0000000 --- a/examples/config/case300_ieee_base.yaml +++ /dev/null @@ -1,41 +0,0 @@ -seed: 42 -data: - networks: ["case300_ieee"] - scenarios: [170000] - normalization: "baseMVAnorm" - baseMVA: 100 - mask_type: "rnd" - mask_value: 0.0 - mask_ratio: 0.5 - mask_dim: 6 - learn_mask: False - val_ratio: 0.1 - test_ratio: 0.1 - workers: 4 -model: - type: "GPSTransformer" - input_dim: 9 - output_dim: 6 - edge_dim: 2 - pe_dim: 20 - num_layers: 8 - hidden_size: 256 - attention_head: 8 - dropout: 0.0 -training: - batch_size: 32 - epochs: 200 - losses: ["MaskedMSE", "PBE"] - loss_weights: [0.01, 0.99] - accelerator: auto - devices: auto - strategy: auto -optimizer: - learning_rate: 0.0001 - beta1: 0.9 - beta2: 0.999 - lr_decay: 0.7 - lr_patience: 10 -callbacks: - patience: 100 - tol: 0 diff --git a/examples/config/case30_ieee_base.yaml b/examples/config/case30_ieee_base.yaml deleted file mode 100644 index a884933..0000000 --- a/examples/config/case30_ieee_base.yaml +++ /dev/null @@ -1,41 +0,0 @@ -seed: 42 -data: - networks: ["case30_ieee"] - scenarios: [1023] - normalization: "baseMVAnorm" - baseMVA: 100 - mask_type: "rnd" - mask_value: 0.0 - mask_ratio: 0.5 - mask_dim: 6 - learn_mask: False - val_ratio: 0.1 - test_ratio: 0.1 - workers: 4 -model: - attention_head: 8 - dropout: 0.1 - edge_dim: 2 - hidden_size: 256 - input_dim: 9 - num_layers: 8 - output_dim: 6 - pe_dim: 20 - type: GPSTransformer -training: - batch_size: 1 - epochs: 50 - losses: ["MaskedMSE", "PBE"] - loss_weights: [0.01, 0.99] - accelerator: auto - devices: auto - strategy: auto -optimizer: - learning_rate: 0.0001 - beta1: 0.9 - beta2: 0.999 - lr_decay: 0.7 - lr_patience: 10 -callbacks: - patience: 100 - tol: 0 diff --git a/examples/config/case39_epri_base.yaml b/examples/config/case39_epri_base.yaml deleted file mode 100644 index 076a25a..0000000 --- a/examples/config/case39_epri_base.yaml +++ /dev/null @@ -1,41 +0,0 @@ -seed: 42 -data: - networks: ["case39_epri"] - scenarios: [165000] - normalization: "baseMVAnorm" - baseMVA: 100 - mask_type: 'rnd' - mask_value: 0.0 - mask_ratio: 0.5 - mask_dim: 6 - learn_mask: False - val_ratio: 0.1 - test_ratio: 0.1 -model: - type: "GPSTransformer" - input_dim: 9 - output_dim: 6 - edge_dim: 2 - pe_dim: 20 - num_layers: 8 - hidden_size: 256 - attention_head: 8 - dropout: 0.1 - workers: 4 -training: - batch_size: 32 - epochs: 200 - losses: ["MaskedMSE", "PBE"] - loss_weights: [0.01, 0.99] - accelerator: auto - devices: auto - strategy: auto -optimizer: - learning_rate: 0.0001 - beta1: 0.9 - beta2: 0.999 - lr_decay: 0.7 - lr_patience: 10 -callbacks: - patience: 100 - tol: 0 diff --git a/examples/config/case57_ieee_base.yaml b/examples/config/case57_ieee_base.yaml deleted file mode 100644 index 96e7c3c..0000000 --- a/examples/config/case57_ieee_base.yaml +++ /dev/null @@ -1,41 +0,0 @@ -seed: 42 -data: - networks: ["case57_ieee"] - scenarios: [300000] - normalization: "baseMVAnorm" - baseMVA: 100 - mask_type: "rnd" - mask_value: 0.0 - mask_ratio: 0.5 - mask_dim: 6 - learn_mask: False - val_ratio: 0.1 - test_ratio: 0.1 - workers: 4 -model: - type: "GPSTransformer" - input_dim: 9 - output_dim: 6 - edge_dim: 2 - pe_dim: 20 - num_layers: 8 - hidden_size: 256 - attention_head: 8 - dropout: 0.1 -training: - batch_size: 32 - epochs: 200 - losses: ["MaskedMSE", "PBE"] - loss_weights: [0.01, 0.99] - accelerator: auto - devices: auto - strategy: auto -optimizer: - learning_rate: 0.0001 - beta1: 0.9 - beta2: 0.999 - lr_decay: 0.7 - lr_patience: 10 -callbacks: - patience: 100 - tol: 0 diff --git a/examples/config/case89_pegase_base.yaml b/examples/config/case89_pegase_base.yaml deleted file mode 100644 index 0eef554..0000000 --- a/examples/config/case89_pegase_base.yaml +++ /dev/null @@ -1,41 +0,0 @@ -seed: 42 -data: - networks: ["case89_pegase"] - scenarios: [160000] - normalization: "baseMVAnorm" - baseMVA: 100 - mask_type: "pf" - mask_value: 0.0 - mask_ratio: 0.5 - mask_dim: 6 - learn_mask: False - val_ratio: 0.1 - test_ratio: 0.1 - workers: 4 -model: - attention_head: 8 - dropout: 0.1 - edge_dim: 2 - hidden_size: 256 - input_dim: 9 - num_layers: 8 - output_dim: 6 - pe_dim: 20 - type: GPSTransformer -training: - batch_size: 32 - epochs: 400 - losses: ["MaskedMSE", "PBE"] - loss_weights: [0.9, 0.1] - accelerator: auto - devices: auto - strategy: auto -optimizer: - learning_rate: 0.0001 - beta1: 0.9 - beta2: 0.999 - lr_decay: 0.7 - lr_patience: 10 -callbacks: - patience: 100 - tol: 0 diff --git a/examples/config/gridFMv0.1_pretraining.yaml b/examples/config/gridFMv0.1_pretraining.yaml deleted file mode 100644 index c489e95..0000000 --- a/examples/config/gridFMv0.1_pretraining.yaml +++ /dev/null @@ -1,57 +0,0 @@ -callbacks: - patience: 100 - tol: 0 -data: - baseMVA: 100 - learn_mask: false - mask_dim: 6 - mask_ratio: 0.5 - mask_type: rnd - mask_value: 0.0 - networks: - - case240_pserc - - case24_ieee_rts - - case30_ieee - - case57_ieee - - case89_pegase - - case118_ieee - normalization: baseMVAnorm - scenarios: - - 100000 - - 100000 - - 100000 - - 100000 - - 100000 - - 100000 - test_ratio: 0.1 - val_ratio: 0.1 - workers: 4 -model: - attention_head: 8 - dropout: 0.1 - edge_dim: 2 - hidden_size: 64 - input_dim: 9 - num_layers: 8 - output_dim: 6 - pe_dim: 20 - type: GNN_TransformerConv -optimizer: - beta1: 0.9 - beta2: 0.999 - learning_rate: 1.0e-05 - lr_decay: 0.7 - lr_patience: 10 -seed: 200 -training: - batch_size: 64 - epochs: 500 - loss_weights: - - 0.01 - - 0.99 - losses: - - MaskedMSE - - PBE - accelerator: auto - devices: auto - strategy: auto diff --git a/examples/config/gridFMv0.2_pretraining.yaml b/examples/config/gridFMv0.2_pretraining.yaml deleted file mode 100644 index 8a804db..0000000 --- a/examples/config/gridFMv0.2_pretraining.yaml +++ /dev/null @@ -1,57 +0,0 @@ -callbacks: - patience: 100 - tol: 0 -data: - baseMVA: 100 - learn_mask: false - mask_dim: 6 - mask_ratio: 0.5 - mask_type: rnd - mask_value: 0.0 - networks: - - case240_pserc - - case24_ieee_rts - - case30_ieee - - case57_ieee - - case89_pegase - - case118_ieee - normalization: baseMVAnorm - scenarios: - - 100000 - - 100000 - - 100000 - - 100000 - - 100000 - - 100000 - test_ratio: 0.1 - val_ratio: 0.1 - workers: 4 -model: - attention_head: 8 - dropout: 0.1 - edge_dim: 2 - hidden_size: 256 - input_dim: 9 - num_layers: 8 - output_dim: 6 - pe_dim: 20 - type: GPSTransformer -optimizer: - beta1: 0.9 - beta2: 0.999 - learning_rate: 0.0001 - lr_decay: 0.7 - lr_patience: 10 -seed: 0 -training: - batch_size: 64 - epochs: 500 - loss_weights: - - 0.01 - - 0.99 - losses: - - MaskedMSE - - PBE - accelerator: auto - devices: auto - strategy: auto diff --git a/examples/data/case30_ieee/raw/pf_edge.csv b/examples/data/case30_ieee/raw/pf_edge.csv deleted file mode 100644 index f50fa19..0000000 --- a/examples/data/case30_ieee/raw/pf_edge.csv +++ /dev/null @@ -1,111003 +0,0 @@ -scenario,index1,index2,G,B -0,0.0,0.0,6.765516048652632,-21.23160167089863 -0,0.0,1.0,-5.224646179885656,15.646726840803398 -0,0.0,2.0,-1.5408698687669766,5.631674830095234 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+import gridfm_graphkit.tasks.base_task +import gridfm_graphkit.models.gnn_heterogeneous_gns +import gridfm_graphkit.tasks.reconstruction_tasks __all__ = [ "gridfm_graphkit", diff --git a/gridfm_graphkit/cli.py b/gridfm_graphkit/cli.py index a7507c1..3044327 100644 --- a/gridfm_graphkit/cli.py +++ b/gridfm_graphkit/cli.py @@ -1,14 +1,12 @@ -from gridfm_graphkit.datasets.powergrid_datamodule import LitGridDataModule +from gridfm_graphkit.datasets.hetero_powergrid_datamodule import LitGridHeteroDataModule from gridfm_graphkit.io.param_handler import NestedNamespace from gridfm_graphkit.training.callbacks import SaveBestModelStateDict import numpy as np -import os import yaml import torch import random -import pandas as pd -from gridfm_graphkit.tasks.feature_reconstruction_task import FeatureReconstructionTask +from gridfm_graphkit.io.param_handler import get_task from lightning.pytorch.callbacks.early_stopping import EarlyStopping from lightning.pytorch.callbacks.model_checkpoint import ModelCheckpoint from lightning.pytorch.loggers import MLFlowLogger @@ -56,15 +54,11 @@ def main_cli(args): random.seed(config_args.seed) np.random.seed(config_args.seed) - litGrid = LitGridDataModule(config_args, args.data_path) - model = FeatureReconstructionTask( - config_args, - litGrid.node_normalizers, - litGrid.edge_normalizers, - ) + litGrid = LitGridHeteroDataModule(config_args, args.data_path) + model = get_task(config_args, litGrid.data_normalizers) if args.command != "train": print(f"Loading model weights from {args.model_path}") - state_dict = torch.load(args.model_path) + state_dict = torch.load(args.model_path, map_location="cpu") model.load_state_dict(state_dict) trainer = L.Trainer( @@ -83,40 +77,5 @@ def main_cli(args): if args.command != "predict": trainer.test(model=model, datamodule=litGrid) - if args.command == "predict": - predictions = trainer.predict(model=model, datamodule=litGrid) - all_outputs = [] - all_scenarios = [] - all_bus_numbers = [] - - for batch in predictions: - all_outputs.append(batch["output"]) - all_scenarios.append(batch["scenario_id"]) - all_bus_numbers.append(batch["bus_number"]) - - # Concatenate all - outputs = np.concatenate(all_outputs, axis=0) # shape: [num_nodes, 6] - scenario_ids = np.concatenate(all_scenarios, axis=0) - bus_numbers = np.concatenate(all_bus_numbers, axis=0) - - # Build DataFrame - df = pd.DataFrame( - { - "scenario": scenario_ids, - "bus": bus_numbers, - "PD_pred": outputs[:, 0], - "QD_pred": outputs[:, 1], - "PG_pred": outputs[:, 2], - "QG_pred": outputs[:, 3], - "VM_pred": outputs[:, 4], - "VA_pred": outputs[:, 5], - }, - ) - - # Save CSV - output_dir = os.path.join(args.output_path) - os.makedirs(output_dir, exist_ok=True) - csv_path = os.path.join(output_dir, "predictions.csv") - df.to_csv(csv_path, index=False) - - print(f"Saved predictions to {csv_path}") + # if args.command == "predict": + # TODO diff --git a/gridfm_graphkit/datasets/__init__.py b/gridfm_graphkit/datasets/__init__.py index 8909085..fee635f 100644 --- a/gridfm_graphkit/datasets/__init__.py +++ b/gridfm_graphkit/datasets/__init__.py @@ -1,23 +1,15 @@ -from gridfm_graphkit.datasets.transforms import ( - AddPFMask, - AddIdentityMask, - AddRandomMask, - AddOPFMask, -) from gridfm_graphkit.datasets.normalizers import ( - Standardizer, - MinMaxNormalizer, - BaseMVANormalizer, - IdentityNormalizer, + HeteroDataMVANormalizer, +) +from gridfm_graphkit.datasets.task_transforms import ( + PowerFlowTransforms, + OptimalPowerFlowTransforms, + StateEstimationTransforms, ) __all__ = [ - "AddPFMask", - "AddIdentityMask", - "AddRandomMask", - "AddOPFMask", - "Standardizer", - "MinMaxNormalizer", - "BaseMVANormalizer", - "IdentityNormalizer", + "HeteroDataMVANormalizer", + "PowerFlowTransforms", + "OptimalPowerFlowTransforms", + "StateEstimationTransforms", ] diff --git a/gridfm_graphkit/datasets/globals.py b/gridfm_graphkit/datasets/globals.py index 396dba6..ab3c7e3 100644 --- a/gridfm_graphkit/datasets/globals.py +++ b/gridfm_graphkit/datasets/globals.py @@ -1,19 +1,54 @@ -# Global variables +# ========================= +# === BUS FEATURE INDICES == +# ========================= +PD_H = 0 # Active power demand (P_d) +QD_H = 1 # Reactive power demand (Q_d) +QG_H = 2 # Reactive power generation (Q_g) +VM_H = 3 # Voltage magnitude (p.u.) +VA_H = 4 # Voltage angle (degrees) +PQ_H = 5 # PQ bus indicator (1 if PQ) +PV_H = 6 # PV bus indicator (1 if PV) +REF_H = 7 # Reference (slack) bus indicator (1 if REF) +MIN_VM_H = 8 # Minimum voltage magnitude limit (p.u.) +MAX_VM_H = 9 # Maximum voltage magnitude limit (p.u.) +MIN_QG_H = 10 # Minimum reactive power limit (Mvar) +MAX_QG_H = 11 # Maximum reactive power limit (Mvar) +GS = 12 # Shunt conductance (p.u.) +BS = 13 # Shunt susceptance (p.u.) +VN_KV = 14 # Nominal voltage -# Node features indices -PD = 0 -QD = 1 -PG = 2 -QG = 3 -VM = 4 -VA = 5 -PQ = 6 -PV = 7 -REF = 8 +# ========================= +# === OUTPUT FEATURE INDICES == +# ========================= +VM_OUT = 0 +VA_OUT = 1 +PG_OUT = 2 +QG_OUT = 3 +PG_OUT_GEN = 0 -# Edge features indices -G = 0 -B = 1 -FEATURES_IDX = {"PD": PD, "QD": QD, "PG": PG, "QG": QG, "VM": VM, "VA": VA} -BUS_TYPES = ["PQ", "PV", "REF"] +# ================================ +# === GENERATOR FEATURE INDICES == +# ================================ +PG_H = 0 # Active power generation (P_g) +MIN_PG = 1 # Minimum active power limit (MW) +MAX_PG = 2 # Maximum active power limit (MW) +C0_H = 3 # Cost coefficient c0 (€) +C1_H = 4 # Cost coefficient c1 (€ / MW) +C2_H = 5 # Cost coefficient c2 (€ / MW²) +G_ON = 6 # Generator on/off + +# ============================ +# === EDGE FEATURE INDICES === +# ============================ +P_E = 0 # Active power flow +Q_E = 1 # Reactive power flow +YFF_TT_R = 2 # Yff real +YFF_TT_I = 3 # Yff imag +YFT_TF_R = 4 # Yft real +YFT_TF_I = 5 # Yft imag +TAP = 6 # Tap ratio +ANG_MIN = 7 # Angle min (deg) +ANG_MAX = 8 # Angle max (deg) +RATE_A = 9 # Thermal limit +B_ON = 10 # Branch on/off diff --git a/gridfm_graphkit/datasets/powergrid_datamodule.py b/gridfm_graphkit/datasets/hetero_powergrid_datamodule.py similarity index 78% rename from gridfm_graphkit/datasets/powergrid_datamodule.py rename to gridfm_graphkit/datasets/hetero_powergrid_datamodule.py index c18c360..e659aab 100644 --- a/gridfm_graphkit/datasets/powergrid_datamodule.py +++ b/gridfm_graphkit/datasets/hetero_powergrid_datamodule.py @@ -6,10 +6,13 @@ from gridfm_graphkit.io.param_handler import ( NestedNamespace, load_normalizer, - get_transform, + get_task_transforms, ) -from gridfm_graphkit.datasets.utils import split_dataset -from gridfm_graphkit.datasets.powergrid_dataset import GridDatasetDisk +from gridfm_graphkit.datasets.utils import ( + split_dataset, + split_dataset_by_load_scenario_idx, +) +from gridfm_graphkit.datasets.powergrid_hetero_dataset import HeteroGridDatasetDisk import numpy as np import random import warnings @@ -17,7 +20,7 @@ import lightning as L -class LitGridDataModule(L.LightningDataModule): +class LitGridHeteroDataModule(L.LightningDataModule): """ PyTorch Lightning DataModule for power grid datasets. @@ -31,8 +34,7 @@ class LitGridDataModule(L.LightningDataModule): Attributes: batch_size (int): Batch size for all dataloaders. From ``args.training.batch_size`` - node_normalizers (list): List of node feature normalizers, one per dataset. - edge_normalizers (list): List of edge feature normalizers, one per dataset. + data_normalizers (list): List of data normalizers, one per dataset. datasets (list): Original datasets for each network. train_datasets (list): Train splits for each network. val_datasets (list): Validation splits for each network. @@ -81,9 +83,13 @@ def __init__(self, args: NestedNamespace, data_dir: str = "./data"): super().__init__() self.data_dir = data_dir self.batch_size = int(args.training.batch_size) + self.split_by_load_scenario_idx = getattr( + args.data, + "split_by_load_scenario_idx", + False, + ) self.args = args - self.node_normalizers = [] - self.edge_normalizers = [] + self.data_normalizers = [] self.datasets = [] self.train_datasets = [] self.val_datasets = [] @@ -96,9 +102,8 @@ def setup(self, stage: str): return for i, network in enumerate(self.args.data.networks): - node_normalizer, edge_normalizer = load_normalizer(args=self.args) - self.node_normalizers.append(node_normalizer) - self.edge_normalizers.append(edge_normalizer) + data_normalizer = load_normalizer(args=self.args) + self.data_normalizers.append(data_normalizer) # Create torch dataset and split data_path_network = os.path.join(self.data_dir, network) @@ -106,28 +111,22 @@ def setup(self, stage: str): # Run preprocessing only on rank 0 if dist.is_available() and dist.is_initialized() and dist.get_rank() == 0: print(f"Pre-processing of {network} dataset on rank 0") - _ = GridDatasetDisk( # just to trigger processing + _ = HeteroGridDatasetDisk( # just to trigger processing root=data_path_network, norm_method=self.args.data.normalization, - node_normalizer=node_normalizer, - edge_normalizer=edge_normalizer, - pe_dim=self.args.model.pe_dim, - mask_dim=self.args.data.mask_dim, - transform=get_transform(args=self.args), + data_normalizer=data_normalizer, + transform=get_task_transforms(args=self.args), ) # All ranks wait here until processing is done if torch.distributed.is_available() and torch.distributed.is_initialized(): torch.distributed.barrier() - dataset = GridDatasetDisk( + dataset = HeteroGridDatasetDisk( root=data_path_network, norm_method=self.args.data.normalization, - node_normalizer=node_normalizer, - edge_normalizer=edge_normalizer, - pe_dim=self.args.model.pe_dim, - mask_dim=self.args.data.mask_dim, - transform=get_transform(args=self.args), + data_normalizer=data_normalizer, + transform=get_task_transforms(args=self.args), ) self.datasets.append(dataset) @@ -145,16 +144,31 @@ def setup(self, stage: str): random.seed(self.args.seed) random.shuffle(all_indices) subset_indices = all_indices[:num_scenarios] + + # load_scenario for each scenario in the subset + load_scenarios = dataset.load_scenarios[subset_indices] + dataset = Subset(dataset, subset_indices) # Random seed set before every split, same as above np.random.seed(self.args.seed) - train_dataset, val_dataset, test_dataset = split_dataset( - dataset, - self.data_dir, - self.args.data.val_ratio, - self.args.data.test_ratio, - ) + if self.split_by_load_scenario_idx: + train_dataset, val_dataset, test_dataset = ( + split_dataset_by_load_scenario_idx( + dataset, + self.data_dir, + load_scenarios, + self.args.data.val_ratio, + self.args.data.test_ratio, + ) + ) + else: + train_dataset, val_dataset, test_dataset = split_dataset( + dataset, + self.data_dir, + self.args.data.val_ratio, + self.args.data.test_ratio, + ) self.train_datasets.append(train_dataset) self.val_datasets.append(val_dataset) diff --git a/gridfm_graphkit/datasets/masking.py b/gridfm_graphkit/datasets/masking.py new file mode 100644 index 0000000..b615e0c --- /dev/null +++ b/gridfm_graphkit/datasets/masking.py @@ -0,0 +1,323 @@ +import torch +from torch_geometric.transforms import BaseTransform +from gridfm_graphkit.datasets.globals import ( + # Bus feature indices + PD_H, + QD_H, + QG_H, + VM_H, + VA_H, + PQ_H, + PV_H, + REF_H, + MIN_VM_H, + MAX_VM_H, + MIN_QG_H, + MAX_QG_H, + VN_KV, + # Generator feature indices + PG_H, + MIN_PG, + MAX_PG, + C0_H, + C1_H, + C2_H, + # Edge feature indices + P_E, + Q_E, + ANG_MIN, + ANG_MAX, + RATE_A, +) +from torch_geometric.utils import degree +from torch_geometric.nn import MessagePassing + + +class AddPFHeteroMask(BaseTransform): + """Creates masks for a heterogeneous power flow graph.""" + + def __init__(self): + super().__init__() + + def forward(self, data): + bus_x = data.x_dict["bus"] + gen_x = data.x_dict["gen"] + + # Identify bus types + mask_PQ = bus_x[:, PQ_H] == 1 + mask_PV = bus_x[:, PV_H] == 1 + mask_REF = bus_x[:, REF_H] == 1 + + # Initialize mask tensors + mask_bus = torch.zeros_like(bus_x, dtype=torch.bool) + mask_gen = torch.zeros_like(gen_x, dtype=torch.bool) + + mask_bus[:, MIN_VM_H] = True + mask_bus[:, MAX_VM_H] = True + mask_bus[:, MIN_QG_H] = True + mask_bus[:, MAX_QG_H] = True + mask_bus[:, VN_KV] = True + + mask_gen[:, MIN_PG] = True + mask_gen[:, MAX_PG] = True + mask_gen[:, C0_H] = True + mask_gen[:, C1_H] = True + mask_gen[:, C2_H] = True + + # --- PQ buses --- + mask_bus[mask_PQ, VM_H] = True + mask_bus[mask_PQ, VA_H] = True + + # --- PV buses --- + mask_bus[mask_PV, VA_H] = True + mask_bus[mask_PV, QG_H] = True + + # --- REF buses --- + mask_bus[mask_REF, VM_H] = True + mask_bus[mask_REF, QG_H] = True + # --- Generators connected to REF buses --- + gen_bus_edges = data.edge_index_dict[("gen", "connected_to", "bus")] + gen_indices, bus_indices = gen_bus_edges + ref_gens = gen_indices[mask_REF[bus_indices]] + mask_gen[ref_gens, PG_H] = True + + mask_branch = torch.zeros_like( + data.edge_attr_dict[("bus", "connects", "bus")], + dtype=torch.bool, + ) + mask_branch[:, P_E] = True + mask_branch[:, Q_E] = True + mask_branch[:, ANG_MIN] = True + mask_branch[:, ANG_MAX] = True + mask_branch[:, RATE_A] = True + + data.mask_dict = { + "bus": mask_bus, + "gen": mask_gen, + "branch": mask_branch, + "PQ": mask_PQ, + "PV": mask_PV, + "REF": mask_REF, + } + + return data + + +class AddOPFHeteroMask(BaseTransform): + """Creates masks for a heterogeneous power flow graph.""" + + def __init__(self): + super().__init__() + + def forward(self, data): + bus_x = data.x_dict["bus"] + gen_x = data.x_dict["gen"] + + # Identify bus types + mask_PQ = bus_x[:, PQ_H] == 1 + mask_PV = bus_x[:, PV_H] == 1 + mask_REF = bus_x[:, REF_H] == 1 + + # Initialize mask tensors + mask_bus = torch.zeros_like(bus_x, dtype=torch.bool) + mask_gen = torch.zeros_like(gen_x, dtype=torch.bool) + + # --- PQ buses --- + mask_bus[mask_PQ, VM_H] = True + mask_bus[mask_PQ, VA_H] = True + + # --- PV buses --- + mask_bus[mask_PV, VA_H] = True + mask_bus[mask_PV, VM_H] = True + mask_bus[mask_PV, QG_H] = True + + # --- REF buses --- + mask_bus[mask_REF, QG_H] = True + mask_bus[mask_REF, VM_H] = True + + mask_gen[:, PG_H] = True + + mask_branch = torch.zeros_like( + data.edge_attr_dict[("bus", "connects", "bus")], + dtype=torch.bool, + ) + mask_branch[:, P_E] = True + mask_branch[:, Q_E] = True + + data.mask_dict = { + "bus": mask_bus, + "gen": mask_gen, + "branch": mask_branch, + "PQ": mask_PQ, + "PV": mask_PV, + "REF": mask_REF, + } + + return data + + +class BusToGenBroadcaster(MessagePassing): + def __init__(self, aggr="add"): + super().__init__(aggr=aggr) + + def forward(self, x_bus, edge_index_bus2gen, num_gen): + # TODO propagate the standard deviation by dividing by sqrt of number of gens per bus + deg = degree(edge_index_bus2gen[0], num_nodes=x_bus.shape[0]).unsqueeze(-1) + return self.propagate( + edge_index_bus2gen, + x=x_bus / torch.sqrt(deg), + size=(x_bus.size(0), num_gen), + ) + + def message(self, x_j): + return x_j + + +class SimulateMeasurements(BaseTransform): + def __init__(self, args): + super().__init__() + self.measurements = args.task.measurements + self.relative_measurement = getattr(args.task, "relative_measurement", True) + self.measurement_distribution = getattr(args.task, "noise_type", "Gaussian") + self.bus2gen_broadcaster = BusToGenBroadcaster() + + def place_measurement_std_and_outliers(self, std, outliers, features, measurement): + measurement_mask = torch.rand(std.shape[0]) < measurement.mask_ratio + outliers_mask = torch.rand(std.shape[0]) < measurement.outlier_ratio + outliers_mask = torch.logical_and(outliers_mask, ~measurement_mask) + for feature in features: + std[~measurement_mask, feature] = measurement.std + outliers[outliers_mask, feature] = True + return std, outliers + + def add_noise(self, in_tensor, mask, std): + if self.measurement_distribution == "Gaussian": + return torch.where( + mask, + in_tensor, + in_tensor + std * torch.randn(std.shape), + ) + + elif self.measurement_distribution == "Laplace": + b = std / torch.sqrt(torch.tensor(2)) + dist = torch.distributions.laplace.Laplace(0, 1) + return torch.where(mask, in_tensor, in_tensor + b * dist.sample(b.shape)) + + elif self.measurement_distribution == "Uniform": + dist = torch.distributions.uniform.Uniform(-1, 1) + return torch.where( + mask, + in_tensor, + in_tensor + torch.sqrt(torch.tensor(3)) * std * dist.sample(std.shape), + ) + + def add_outliers(self, in_tensor, mask_outliers, std): + random_signs = 2 * torch.randint(0, 2, in_tensor.shape) - 1 + outlier_samples = 3 * std * random_signs + return torch.where(mask_outliers, in_tensor + outlier_samples, in_tensor) + + def forward(self, data): + std_bus = torch.full_like(data["bus"].y, float("inf"), dtype=torch.float) + outliers_bus = torch.full_like(data["bus"].y, False, dtype=torch.bool) + + std_bus, outliers_bus = self.place_measurement_std_and_outliers( + std_bus, + outliers_bus, + [VM_H], + self.measurements.vm, + ) + std_bus, outliers_bus = self.place_measurement_std_and_outliers( + std_bus, + outliers_bus, + [PD_H, QD_H, QG_H], + self.measurements.power_inj, + ) + std_gen = self.bus2gen_broadcaster( + std_bus[:, [PD_H]], + data[("bus", "connected_to", "gen")].edge_index, + data["gen"].x.shape[0], + ) + + std_branch = torch.full_like( + data[("bus", "connects", "bus")].edge_attr[:, :2], + float("inf"), + dtype=torch.float, + ) + outliers_branch = torch.full_like( + data[("bus", "connects", "bus")].edge_attr[:, :2], + False, + dtype=torch.bool, + ) + + std_branch, outliers_branch = self.place_measurement_std_and_outliers( + std_branch, + outliers_branch, + [P_E, Q_E], + self.measurements.power_flow, + ) + mask_bus, mask_branch, mask_gen = ( + torch.isinf(std_bus), + torch.isinf(std_branch), + torch.isinf(std_gen), + ) + + if self.relative_measurement: + std_bus = torch.where(mask_bus, std_bus, std_bus * torch.abs(data["bus"].y)) + std_branch = torch.where( + mask_branch, + std_branch, + std_branch + * torch.abs(data[("bus", "connects", "bus")].edge_attr[:, :2]), + ) + else: + std_bus = torch.where(mask_bus, std_bus, std_bus * data.baseMVA) + std_branch = torch.where(mask_branch, std_branch, std_branch * data.baseMVA) + + data["bus"].x[:, : data["bus"].y.size(1)] = self.add_noise( + data["bus"].x[:, : data["bus"].y.size(1)], + mask_bus, + std_bus, + ) + data["gen"].x[:, : data["gen"].y.size(1)] = self.add_noise( + data["gen"].x[:, : data["gen"].y.size(1)], + mask_gen, + std_gen, + ) + data[("bus", "connects", "bus")].edge_attr[:, :2] = self.add_noise( + data[("bus", "connects", "bus")].edge_attr[:, :2], + mask_branch, + std_branch, + ) + + data["bus"].x[:, : data["bus"].y.size(1)] = self.add_outliers( + data["bus"].x[:, : data["bus"].y.size(1)], + outliers_bus, + std_bus, + ) + + data[("bus", "connects", "bus")].edge_attr[:, :2] = self.add_outliers( + data[("bus", "connects", "bus")].edge_attr[:, :2], + outliers_branch, + std_branch, + ) + + # Save all masks and stds + extra_dims_bus = data["bus"].x.size(1) - data["bus"].y.size(1) + extra_dims_gen = data["gen"].x.size(1) - data["gen"].y.size(1) + extra_dims_branch = ( + data[("bus", "connects", "bus")]["edge_attr"].shape[1] + - mask_branch.shape[1] + ) + + data.mask_dict = { + "bus": torch.nn.functional.pad(mask_bus, (0, extra_dims_bus)), + "std_bus": std_bus, + "outliers_bus": outliers_bus, + "gen": torch.nn.functional.pad(mask_gen, (0, extra_dims_gen)), + "std_gen": std_gen, + "branch": torch.nn.functional.pad(mask_branch, (0, extra_dims_branch)), + "std_branch": std_branch, + "outliers_branch": outliers_branch, + } + + return data diff --git a/gridfm_graphkit/datasets/normalizers.py b/gridfm_graphkit/datasets/normalizers.py index 69c52ed..61bf8c5 100644 --- a/gridfm_graphkit/datasets/normalizers.py +++ b/gridfm_graphkit/datasets/normalizers.py @@ -1,7 +1,40 @@ -from gridfm_graphkit.datasets.globals import PD, QD, PG, QG, VA from gridfm_graphkit.io.registries import NORMALIZERS_REGISTRY import torch from abc import ABC, abstractmethod +from typing import Optional +import pandas as pd +import numpy as np +from torch_geometric.data import HeteroData +from gridfm_graphkit.datasets.globals import ( + # Bus feature indices + PD_H, + QD_H, + QG_H, + VA_H, + MIN_QG_H, + MAX_QG_H, + GS, + BS, + VN_KV, + # Output feature indices + PG_OUT, + QG_OUT, + # Generator feature indices + PG_H, + MIN_PG, + MAX_PG, + C0_H, + C1_H, + C2_H, + # Edge feature indices + P_E, + Q_E, + YFF_TT_R, + YFT_TF_I, + ANG_MIN, + ANG_MAX, + RATE_A, +) class Normalizer(ABC): @@ -61,116 +94,8 @@ def get_stats(self) -> dict: """ -@NORMALIZERS_REGISTRY.register("minmax") -class MinMaxNormalizer(Normalizer): - """ - Scales each feature to the [0, 1] range. - - Args: - node_data (bool): Whether data is node-level or edge-level - args (NestedNamespace): Parameters - - """ - - def __init__(self, node_data: bool, args): - self.min_val = None - self.max_val = None - - def to(self, device): - self.min_val = self.min_val.to(device) - self.max_val = self.max_val.to(device) - - def fit(self, data: torch.Tensor) -> dict: - self.min_val, _ = data.min(axis=0) - self.max_val, _ = data.max(axis=0) - - return {"min_value": self.min_val, "max_value": self.max_val} - - def fit_from_dict(self, params: dict): - if self.min_val is None: - self.min_val = params.get("min_value") - if self.max_val is None: - self.max_val = params.get("max_value") - - def transform(self, data: torch.Tensor) -> torch.Tensor: - if self.min_val is None or self.max_val is None: - raise ValueError("fit must be called before transform.") - - diff = self.max_val - self.min_val - diff[diff == 0] = 1 # Avoid division by zero for features with zero range - return (data - self.min_val) / diff - - def inverse_transform(self, normalized_data: torch.Tensor) -> torch.Tensor: - if self.min_val is None or self.max_val is None: - raise ValueError("fit must be called before inverse_transform.") - - diff = self.max_val - self.min_val - diff[diff == 0] = 1 - return (normalized_data * diff) + self.min_val - - def get_stats(self) -> dict: - return { - "min_value": self.min_val.tolist() if self.min_val is not None else None, - "max_value": self.max_val.tolist() if self.max_val is not None else None, - } - - -@NORMALIZERS_REGISTRY.register("standard") -class Standardizer(Normalizer): - """ - Standardizes each feature to zero mean and unit variance. - - Args: - node_data (bool): Whether data is node-level or edge-level - args (NestedNamespace): Parameters - - """ - - def __init__(self, node_data: bool, args): - self.mean = None - self.std = None - - def to(self, device): - self.mean = self.mean.to(device) - self.std = self.std.to(device) - - def fit(self, data: torch.Tensor) -> dict: - self.mean = data.mean(axis=0) - self.std = data.std(axis=0) - - return {"mean_value": self.mean, "std_value": self.std} - - def fit_from_dict(self, params: dict): - if self.mean is None: - self.mean = params.get("mean_value") - if self.std is None: - self.std = params.get("std_value") - - def transform(self, data: torch.Tensor) -> torch.Tensor: - if self.mean is None or self.std is None: - raise ValueError("fit must be called before transform.") - - std = self.std.clone() - std[std == 0] = 1 # Avoid division by zero for features with zero std - return (data - self.mean) / std - - def inverse_transform(self, normalized_data: torch.Tensor) -> torch.Tensor: - if self.mean is None or self.std is None: - raise ValueError("fit must be called before inverse_transform.") - - std = self.std.clone() - std[std == 0] = 1 - return (normalized_data * std) + self.mean - - def get_stats(self) -> dict: - return { - "mean": self.mean.tolist() if self.mean is not None else None, - "std": self.std.tolist() if self.std is not None else None, - } - - -@NORMALIZERS_REGISTRY.register("baseMVAnorm") -class BaseMVANormalizer(Normalizer): +@NORMALIZERS_REGISTRY.register("HeteroDataMVANormalizer") +class HeteroDataMVANormalizer(Normalizer): """ In power systems, a suitable normalization strategy must preserve the physical properties of the system. A known method is the conversion to the per-unit (p.u.) system, which expresses @@ -180,7 +105,7 @@ class BaseMVANormalizer(Normalizer): preserving fundamental physical relationships. """ - def __init__(self, node_data: bool, args): + def __init__(self, args): """ Args: node_data: Whether data is node-level or edge-level @@ -189,91 +114,183 @@ def __init__(self, node_data: bool, args): Attributes: baseMVA (float): baseMVA found in casefile. From ``args.data.baseMVA``. """ - self.node_data = node_data self.baseMVA_orig = getattr(args.data, "baseMVA", 100) - self.baseMVA = None + self.baseMVA = getattr(args.data, "normalizationMVA", None) def to(self, device): pass - def fit(self, data: torch.Tensor, baseMVA: float = None) -> dict: - if self.node_data: - self.baseMVA = data[:, [PD, QD, PG, QG]].max() - else: - self.baseMVA = baseMVA - - return {"baseMVA_orig": self.baseMVA_orig, "baseMVA": self.baseMVA} - - def fit_from_dict(self, params: dict): - if self.baseMVA is None: - self.baseMVA = params.get("baseMVA") - if self.baseMVA_orig is None: - self.baseMVA_orig = params.get("baseMVA_orig") - - def transform(self, data: torch.Tensor) -> torch.Tensor: - if self.baseMVA is None: - raise ValueError("BaseMVA is not specified") - - if self.baseMVA == 0: - raise ZeroDivisionError("BaseMVA is 0.") - - if self.node_data: - data[:, PD] = data[:, PD] / self.baseMVA - data[:, QD] = data[:, QD] / self.baseMVA - data[:, PG] = data[:, PG] / self.baseMVA - data[:, QG] = data[:, QG] / self.baseMVA - data[:, VA] = data[:, VA] * torch.pi / 180.0 - else: - data = data * self.baseMVA_orig / self.baseMVA + def fit( + self, + bus_data: Optional[pd.DataFrame] = None, + gen_data: Optional[pd.DataFrame] = None, + ) -> dict: + """ + Fit method for both node-level and edge-level normalization. - return data + - For node-level: pass `bus_data` and `gen_data`. + - For edge-level: pass `baseMVA` directly. + """ + if bus_data is None or gen_data is None: + raise ValueError( + "bus_data and gen_data must be provided for node-level normalization.", + ) - def inverse_transform(self, normalized_data: torch.Tensor) -> torch.Tensor: if self.baseMVA is None: - raise ValueError("fit must be called before inverse_transform.") - - if self.node_data: - normalized_data[:, PD] = normalized_data[:, PD] * self.baseMVA - normalized_data[:, QD] = normalized_data[:, QD] * self.baseMVA - normalized_data[:, PG] = normalized_data[:, PG] * self.baseMVA - normalized_data[:, QG] = normalized_data[:, QG] * self.baseMVA - normalized_data[:, VA] = normalized_data[:, VA] * 180.0 / torch.pi - else: - normalized_data = normalized_data * self.baseMVA / self.baseMVA_orig - - return normalized_data - - def get_stats(self) -> dict: + pd_values = bus_data["Pd"] + qd_values = bus_data["Qd"] + pg_values = gen_data["p_mw"] + qg_values = bus_data["Qg"] + + non_zero_values = pd.concat( + [ + pd_values[pd_values != 0], + qd_values[qd_values != 0], + pg_values[pg_values != 0], + qg_values[qg_values != 0], + ], + ) + + self.baseMVA = np.percentile(non_zero_values, 95) + self.vn_kv_max = float(bus_data["vn_kv"].max()) + + # ---------------------------------------------------- + # Return all fitted parameters + # ---------------------------------------------------- return { - "baseMVA": self.baseMVA, - "baseMVA_orig": self.baseMVA_orig, + "baseMVA_orig": torch.tensor(self.baseMVA_orig, dtype=torch.float), + "baseMVA": torch.tensor(self.baseMVA, dtype=torch.float), + "vn_kv_max": torch.tensor(self.vn_kv_max, dtype=torch.float), } - -@NORMALIZERS_REGISTRY.register("identity") -class IdentityNormalizer(Normalizer): - """ - No normalization: returns data unchanged. - - Args: - node_data: Whether data is node-level or edge-level - args (NestedNamespace): Parameters - """ - - def __init__(self, node_data: bool, args): - pass - - def fit(self, data: torch.Tensor) -> dict: - return {} - def fit_from_dict(self, params: dict): - pass - - def transform(self, data: torch.Tensor) -> torch.Tensor: - return data - - def inverse_transform(self, normalized_data: torch.Tensor) -> torch.Tensor: - return normalized_data + # Base MVA + if self.baseMVA is None: + self.baseMVA = params.get("baseMVA").item() + self.baseMVA_orig = params.get("baseMVA_orig").item() + + # vn_kv + self.vn_kv_max = params.get("vn_kv_max").item() + + def transform(self, data: HeteroData): + if self.baseMVA is None or self.baseMVA == 0: + raise ValueError("BaseMVA not properly set") + + # --- Bus input normalization --- + data.x_dict["bus"][:, PD_H] /= self.baseMVA + data.x_dict["bus"][:, QD_H] /= self.baseMVA + data.x_dict["bus"][:, QG_H] /= self.baseMVA + data.x_dict["bus"][:, MIN_QG_H] /= self.baseMVA + data.x_dict["bus"][:, MAX_QG_H] /= self.baseMVA + data.x_dict["bus"][:, VA_H] *= torch.pi / 180.0 + data.x_dict["bus"][:, GS] *= self.baseMVA_orig / self.baseMVA + data.x_dict["bus"][:, BS] *= self.baseMVA_orig / self.baseMVA + data.x_dict["bus"][:, VN_KV] /= self.vn_kv_max + + # --- Bus label normalization --- + data.y_dict["bus"][:, PD_H] /= self.baseMVA + data.y_dict["bus"][:, QD_H] /= self.baseMVA + data.y_dict["bus"][:, QG_H] /= self.baseMVA + data.y_dict["bus"][:, VA_H] *= torch.pi / 180.0 + + # --- Generator input normalization --- + data.x_dict["gen"][:, PG_H] /= self.baseMVA + data.x_dict["gen"][:, MIN_PG] /= self.baseMVA + data.x_dict["gen"][:, MAX_PG] /= self.baseMVA + data.x_dict["gen"][:, C0_H] = torch.sign( + data.x_dict["gen"][:, C0_H], + ) * torch.log1p(torch.abs(data.x_dict["gen"][:, C0_H])) + data.x_dict["gen"][:, C1_H] = torch.sign( + data.x_dict["gen"][:, C1_H], + ) * torch.log1p(torch.abs(data.x_dict["gen"][:, C1_H])) + data.x_dict["gen"][:, C2_H] = torch.sign( + data.x_dict["gen"][:, C2_H], + ) * torch.log1p(torch.abs(data.x_dict["gen"][:, C2_H])) + + # --- Generator label normalization --- + data.y_dict["gen"][:, PG_H] /= self.baseMVA + + # --- Edge input normalization --- + data.edge_attr_dict[("bus", "connects", "bus")][:, P_E] /= self.baseMVA + data.edge_attr_dict[("bus", "connects", "bus")][:, Q_E] /= self.baseMVA + data.edge_attr_dict[("bus", "connects", "bus")][:, YFF_TT_R : YFT_TF_I + 1] *= ( + self.baseMVA_orig / self.baseMVA + ) + data.edge_attr_dict[("bus", "connects", "bus")][:, ANG_MIN] *= torch.pi / 180.0 + data.edge_attr_dict[("bus", "connects", "bus")][:, ANG_MAX] *= torch.pi / 180.0 + data.edge_attr_dict[("bus", "connects", "bus")][:, RATE_A] /= self.baseMVA + data.baseMVA = self.baseMVA + data.is_normalized = True + + def inverse_transform(self, data: HeteroData): + if self.baseMVA is None or self.baseMVA == 0: + raise ValueError("BaseMVA not properly set") + + if not data.is_normalized.all(): + raise ValueError("Attempting to denormalize data which is not normalized") + + if (data.baseMVA != self.baseMVA).any(): + raise ValueError( + f"Normalizer baseMVA was {self.baseMVA} but Data object baseMVA is {data.baseMVA}", + ) + + # -------- BUS INPUT INVERSE NORMALIZATION -------- + data.x_dict["bus"][:, PD_H] *= self.baseMVA + data.x_dict["bus"][:, QD_H] *= self.baseMVA + data.x_dict["bus"][:, QG_H] *= self.baseMVA + data.x_dict["bus"][:, MIN_QG_H] *= self.baseMVA + data.x_dict["bus"][:, MAX_QG_H] *= self.baseMVA + data.x_dict["bus"][:, GS] *= self.baseMVA + data.x_dict["bus"][:, BS] *= self.baseMVA + data.x_dict["bus"][:, VN_KV] *= self.vn_kv_max + + # -------- BUS LABEL INVERSE NORMALIZATION -------- + data.y_dict["bus"][:, PD_H] *= self.baseMVA + data.y_dict["bus"][:, QD_H] *= self.baseMVA + data.y_dict["bus"][:, QG_H] *= self.baseMVA + + # -------- GENERATOR INPUT INVERSE NORMALIZATION -------- + data.x_dict["gen"][:, PG_H] *= self.baseMVA + data.x_dict["gen"][:, MIN_PG] *= self.baseMVA + data.x_dict["gen"][:, MAX_PG] *= self.baseMVA + data.x_dict["gen"][:, C0_H] = torch.sign(data.x_dict["gen"][:, C0_H]) * ( + torch.exp(torch.abs(data.x_dict["gen"][:, C0_H])) - 1 + ) + data.x_dict["gen"][:, C1_H] = torch.sign(data.x_dict["gen"][:, C1_H]) * ( + torch.exp(torch.abs(data.x_dict["gen"][:, C1_H])) - 1 + ) + data.x_dict["gen"][:, C2_H] = torch.sign(data.x_dict["gen"][:, C2_H]) * ( + torch.exp(torch.abs(data.x_dict["gen"][:, C2_H])) - 1 + ) + + # -------- GENERATOR LABEL INVERSE NORMALIZATION -------- + data.y_dict["gen"][:, PG_H] *= self.baseMVA + + # -------- EDGE INPUT INVERSE NORMALIZATION -------- + data.edge_attr_dict[("bus", "connects", "bus")][:, P_E] *= self.baseMVA + data.edge_attr_dict[("bus", "connects", "bus")][:, Q_E] *= self.baseMVA + + # Inverse of scaling Y and tap parameters + data.edge_attr_dict[("bus", "connects", "bus")][:, YFF_TT_R : YFT_TF_I + 1] *= ( + self.baseMVA + ) + + data.edge_attr_dict[("bus", "connects", "bus")][:, ANG_MIN] *= 180.0 / torch.pi + data.edge_attr_dict[("bus", "connects", "bus")][:, ANG_MAX] *= 180.0 / torch.pi + + data.edge_attr_dict[("bus", "connects", "bus")][:, RATE_A] *= self.baseMVA + data.is_normalized = False + + def inverse_output(self, output): + bus_output = output["bus"] + gen_output = output["gen"] + bus_output[:, PG_OUT] *= self.baseMVA + bus_output[:, QG_OUT] *= self.baseMVA + gen_output[:, PG_H] *= self.baseMVA def get_stats(self) -> dict: - return {"note": "No normalization applied."} + return { + "baseMVA_orig": torch.tensor(self.baseMVA_orig, dtype=torch.float), + "baseMVA": torch.tensor(self.baseMVA, dtype=torch.float), + "vn_kv_max": torch.tensor(self.vn_kv_max, dtype=torch.float), + } diff --git a/gridfm_graphkit/datasets/postprocessing.py b/gridfm_graphkit/datasets/postprocessing.py deleted file mode 100644 index 6546ad6..0000000 --- a/gridfm_graphkit/datasets/postprocessing.py +++ /dev/null @@ -1,83 +0,0 @@ -import numpy as np -from scipy.sparse import csr_matrix - - -def compute_branch_currents_kA(Yf, Yt, V, Vf_base_kV, Vt_base_kV, sn_mva): - """ - TODO docstrings - """ - - If_pu = Yf @ V # From-end currents in per-unit (I_f = Y_f V) - If_kA = np.abs(If_pu) * sn_mva / (np.sqrt(3) * Vf_base_kV) # Conversion to kA - - # Construct to-end admittance matrix Yt: - # Yt[b, :] = y_tf_b * e_f + y_tt_b * e_t - It_pu = Yt @ V # To-end currents in per-unit (I_t = Y_t V) - It_kA = np.abs(It_pu) * sn_mva / (np.sqrt(3) * Vt_base_kV) # Conversion to kA - - return If_kA, It_kA - - -def compute_loading(If_kA, It_kA, Vf_base_kV, Vt_base_kV, rate_a): - """ - Compute per-branch loading using current magnitudes and branch ratings. - - Parameters: - - edge_index: np.ndarray of shape (n_edges, 2), each row is [from_bus, to_bus] - - If_kA: np.ndarray of from-side current magnitudes in kA - - It_kA: np.ndarray of to-side current magnitudes in kA - - base_kv: np.ndarray of shape (n_buses,), base voltage in kV per bus - - edge_attr: np.ndarray of shape (n_edges, >=5), edge features, column 4 = RATE_A - - Returns: - - loading: np.ndarray of shape (n_edges,), max of from and to side loading - """ - - limitf = rate_a / (Vf_base_kV * np.sqrt(3)) - limitt = rate_a / (Vt_base_kV * np.sqrt(3)) - - loadingf = If_kA / limitf - loadingt = It_kA / limitt - - return np.maximum(loadingf, loadingt) - - -def create_admittance_matrix(bus_params, edge_params, sn_mva=100): - """ - TODO Docstrings - - Parameters: - - bus_params: pandas df - - edge_params: pandas df - - """ - - base_kv = bus_params["baseKV"].values - - # Extract from-bus and to-bus indices for each branch - - f = edge_params["from_bus"].values.astype(np.int32) - t = edge_params["to_bus"].values.astype(np.int32) - - # Extract branch admittance coefficients - Yff = edge_params["Yff_r"].values + 1j * edge_params["Yff_i"].values - Yft = edge_params["Yft_r"].values + 1j * edge_params["Yft_i"].values - Ytf = edge_params["Ytf_r"].values + 1j * edge_params["Ytf_i"].values - Ytt = edge_params["Ytt_r"].values + 1j * edge_params["Ytt_i"].values - - # Get base voltages for the from and to buses (for kA conversion) - Vf_base_kV = base_kv[f] - Vt_base_kV = base_kv[t] - - nl = edge_params.shape[0] - nb = bus_params.shape[0] - - # i = [0, 1, ..., nl-1, 0, 1, ..., nl-1], used for constructing Yf and Yt - i = np.hstack([np.arange(nl), np.arange(nl)]) - - # Construct from-end admittance matrix Yf using the linear combination: - # Yf[b, :] = y_ff_b * e_f + y_ft_b * e_t - Yf = csr_matrix((np.hstack([Yff, Yft]), (i, np.hstack([f, t]))), shape=(nl, nb)) - Yt = csr_matrix((np.hstack([Ytf, Ytt]), (i, np.hstack([f, t]))), shape=(nl, nb)) - - return Yf, Yt, Vf_base_kV, Vt_base_kV diff --git a/gridfm_graphkit/datasets/powergrid_dataset.py b/gridfm_graphkit/datasets/powergrid_dataset.py deleted file mode 100644 index 026d9a8..0000000 --- a/gridfm_graphkit/datasets/powergrid_dataset.py +++ /dev/null @@ -1,227 +0,0 @@ -from gridfm_graphkit.datasets.normalizers import Normalizer, BaseMVANormalizer -from gridfm_graphkit.datasets.transforms import ( - AddEdgeWeights, - AddNormalizedRandomWalkPE, -) - -import os.path as osp -import os -import torch -from torch_geometric.data import Data, Dataset -import pandas as pd -from tqdm import tqdm -from typing import Optional, Callable - - -class GridDatasetDisk(Dataset): - """ - A PyTorch Geometric `Dataset` for power grid data stored on disk. - This dataset reads node and edge CSV files, applies normalization, - and saves each graph separately on disk as a processed file. - Data is loaded from disk lazily on demand. - - Args: - root (str): Root directory where the dataset is stored. - norm_method (str): Identifier for normalization method (e.g., "minmax", "standard"). - node_normalizer (Normalizer): Normalizer used for node features. - edge_normalizer (Normalizer): Normalizer used for edge features. - pe_dim (int): Length of the random walk used for positional encoding. - mask_dim (int, optional): Number of features per-node that could be masked. - transform (callable, optional): Transformation applied at runtime. - pre_transform (callable, optional): Transformation applied before saving to disk. - pre_filter (callable, optional): Filter to determine which graphs to keep. - """ - - def __init__( - self, - root: str, - norm_method: str, - node_normalizer: Normalizer, - edge_normalizer: Normalizer, - pe_dim: int, - mask_dim: int = 6, - transform: Optional[Callable] = None, - pre_transform: Optional[Callable] = None, - pre_filter: Optional[Callable] = None, - ): - self.norm_method = norm_method - self.node_normalizer = node_normalizer - self.edge_normalizer = edge_normalizer - self.pe_dim = pe_dim - self.mask_dim = mask_dim - self.length = None - - super().__init__(root, transform, pre_transform, pre_filter) - - # Load normalization stats if available - node_stats_path = osp.join( - self.processed_dir, - f"node_stats_{self.norm_method}.pt", - ) - edge_stats_path = osp.join( - self.processed_dir, - f"edge_stats_{self.norm_method}.pt", - ) - if osp.exists(node_stats_path) and osp.exists(edge_stats_path): - self.node_stats = torch.load(node_stats_path, weights_only=False) - self.edge_stats = torch.load(edge_stats_path, weights_only=False) - self.node_normalizer.fit_from_dict(self.node_stats) - self.edge_normalizer.fit_from_dict(self.edge_stats) - - @property - def raw_file_names(self): - return ["pf_node.csv", "pf_edge.csv"] - - @property - def processed_done_file(self): - return f"processed_{self.norm_method}_{self.mask_dim}_{self.pe_dim}.done" - - @property - def processed_file_names(self): - return [self.processed_done_file] - - def download(self): - pass - - def process(self): - node_df = pd.read_csv(osp.join(self.raw_dir, "pf_node.csv")) - edge_df = pd.read_csv(osp.join(self.raw_dir, "pf_edge.csv")) - - # Check the unique scenarios available - scenarios = node_df["scenario"].unique() - # Ensure node and edge data match - if not (scenarios == edge_df["scenario"].unique()).all(): - raise ValueError("Mismatch between node and edge scenario values.") - - # normalize node attributes - cols_to_normalize = ["Pd", "Qd", "Pg", "Qg", "Vm", "Va"] - to_normalize = torch.tensor( - node_df[cols_to_normalize].values, - dtype=torch.float, - ) - self.node_stats = self.node_normalizer.fit(to_normalize) - node_df[cols_to_normalize] = self.node_normalizer.transform( - to_normalize, - ).numpy() - - # normalize edge attributes - cols_to_normalize = ["G", "B"] - to_normalize = torch.tensor( - edge_df[cols_to_normalize].values, - dtype=torch.float, - ) - if isinstance(self.node_normalizer, BaseMVANormalizer): - self.edge_stats = self.edge_normalizer.fit( - to_normalize, - self.node_normalizer.baseMVA, - ) - else: - self.edge_stats = self.edge_normalizer.fit(to_normalize) - edge_df[cols_to_normalize] = self.edge_normalizer.transform( - to_normalize, - ).numpy() - - # save stats - node_stats_path = osp.join( - self.processed_dir, - f"node_stats_{self.norm_method}.pt", - ) - edge_stats_path = osp.join( - self.processed_dir, - f"edge_stats_{self.norm_method}.pt", - ) - torch.save(self.node_stats, node_stats_path) - torch.save(self.edge_stats, edge_stats_path) - - # Create groupby objects for scenarios - node_groups = node_df.groupby("scenario") - edge_groups = edge_df.groupby("scenario") - - for scenario_idx in tqdm(scenarios): - # NODE DATA - node_data = node_groups.get_group(scenario_idx) - x = torch.tensor( - node_data[ - ["Pd", "Qd", "Pg", "Qg", "Vm", "Va", "PQ", "PV", "REF"] - ].values, - dtype=torch.float, - ) - y = x[:, : self.mask_dim] - - # EDGE DATA - edge_data = edge_groups.get_group(scenario_idx) - edge_attr = torch.tensor(edge_data[["G", "B"]].values, dtype=torch.float) - edge_index = torch.tensor( - edge_data[["index1", "index2"]].values.T, - dtype=torch.long, - ) - - # Create the Data object - graph_data = Data( - x=x, - edge_index=edge_index, - edge_attr=edge_attr, - y=y, - scenario_id=scenario_idx, - ) - pe_pre_transform = AddEdgeWeights() - graph_data = pe_pre_transform(graph_data) - pe_transform = AddNormalizedRandomWalkPE( - walk_length=self.pe_dim, - attr_name="pe", - ) - graph_data = pe_transform(graph_data) - torch.save( - graph_data, - osp.join( - self.processed_dir, - f"data_{self.norm_method}_{self.mask_dim}_{self.pe_dim}_index_{scenario_idx}.pt", - ), - ) - with open(osp.join(self.processed_dir, self.processed_done_file), "w") as f: - f.write("done") - - def len(self): - if self.length is None: - files = [ - f - for f in os.listdir(self.processed_dir) - if f.startswith( - f"data_{self.norm_method}_{self.mask_dim}_{self.pe_dim}_index_", - ) - and f.endswith(".pt") - ] - self.length = len(files) - return self.length - - def get(self, idx): - file_name = osp.join( - self.processed_dir, - f"data_{self.norm_method}_{self.mask_dim}_{self.pe_dim}_index_{idx}.pt", - ) - if not osp.exists(file_name): - raise IndexError(f"Data file {file_name} does not exist.") - data = torch.load(file_name, weights_only=False) - if self.transform: - data = self.transform(data) - return data - - def change_transform(self, new_transform): - """ - Temporarily switch to a new transform function, used when evaluating different tasks. - - Args: - new_transform (Callable): The new transform to use. - """ - self.original_transform = self.transform - self.transform = new_transform - - def reset_transform(self): - """ - Reverts the transform to the original one set during initialization, usually called after the evaluation step. - """ - if self.original_transform is None: - raise ValueError( - "The original transform is None or the function change_transform needs to be called before", - ) - self.transform = self.original_transform diff --git a/gridfm_graphkit/datasets/powergrid_hetero_dataset.py b/gridfm_graphkit/datasets/powergrid_hetero_dataset.py new file mode 100644 index 0000000..f789b56 --- /dev/null +++ b/gridfm_graphkit/datasets/powergrid_hetero_dataset.py @@ -0,0 +1,266 @@ +from gridfm_graphkit.datasets.normalizers import Normalizer + +import os.path as osp +import os +import torch +from torch_geometric.data import Dataset +import pandas as pd +from tqdm import tqdm +from typing import Optional, Callable +from torch_geometric.data import HeteroData +from gridfm_graphkit.datasets.globals import VA_H, PG_H + + +class HeteroGridDatasetDisk(Dataset): + """ + A PyTorch Geometric `Dataset` for power grid data stored on disk. + This dataset reads node and edge CSV files, applies normalization, + and saves each graph separately on disk as a processed file. + Data is loaded from disk lazily on demand. + + Args: + root (str): Root directory where the dataset is stored. + norm_method (str): Identifier for normalization method (e.g., "minmax", "standard"). + data_normalizer (Normalizer): Normalizer used for features. + pe_dim (int): Length of the random walk used for positional encoding. + mask_dim (int, optional): Number of features per-node that could be masked. + transform (callable, optional): Transformation applied at runtime. + pre_transform (callable, optional): Transformation applied before saving to disk. + pre_filter (callable, optional): Filter to determine which graphs to keep. + """ + + def __init__( + self, + root: str, + norm_method: str, + data_normalizer: Normalizer, + transform: Optional[Callable] = None, + pre_transform: Optional[Callable] = None, + pre_filter: Optional[Callable] = None, + ): + self.norm_method = norm_method + self.data_normalizer = data_normalizer + self.length = None + + super().__init__(root, transform, pre_transform, pre_filter) + + # Load normalization stats if available + data_stats_path = osp.join( + self.processed_dir, + f"data_stats_{self.norm_method}.pt", + ) + + load_scenarios_path = osp.join(self.processed_dir, "load_scenarios.pt") + + if osp.exists(data_stats_path) and osp.exists(load_scenarios_path): + self.data_stats = torch.load(data_stats_path, weights_only=True) + self.data_normalizer.fit_from_dict(self.data_stats) + self.load_scenarios = torch.load(load_scenarios_path, weights_only=True) + + @property + def raw_file_names(self): + return ["bus_data.parquet", "gen_data.parquet", "branch_data.parquet"] + + @property + def processed_done_file(self): + return "processed_raw_files.done" + + @property + def processed_file_names(self): + return [ + f"data_stats_{self.norm_method}.pt", + "load_scenarios.pt", + self.processed_done_file, + ] + + def download(self): + pass + + def process(self): + print("LOADING DATA") + bus_data = pd.read_parquet(osp.join(self.raw_dir, "bus_data.parquet")) + gen_data = pd.read_parquet(osp.join(self.raw_dir, "gen_data.parquet")) + branch_data = pd.read_parquet(osp.join(self.raw_dir, "branch_data.parquet")) + + load_scenarios = torch.tensor( + bus_data.groupby("scenario")["load_scenario_idx"].first().values, + ) + torch.save(load_scenarios, osp.join(self.processed_dir, "load_scenarios.pt")) + + agg_gen = ( + gen_data.groupby(["scenario", "bus"])[["min_q_mvar", "max_q_mvar"]] + .sum() + .reset_index() + ) + bus_data = bus_data.merge(agg_gen, on=["scenario", "bus"], how="left").fillna(0) + + print("FIT NORMALIZER") + self.data_stats = self.data_normalizer.fit(bus_data=bus_data, gen_data=gen_data) + data_stats_path = osp.join( + self.processed_dir, + f"data_stats_{self.norm_method}.pt", + ) + torch.save(self.data_stats, data_stats_path) + + done_path = osp.join(self.processed_dir, self.processed_done_file) + if osp.exists(done_path): + print("Processed files already exist. Skipping processing.") + return + + bus_features = [ + "Pd", + "Qd", + "Qg", + "Vm", + "Va", + "PQ", + "PV", + "REF", + "min_vm_pu", + "max_vm_pu", + "min_q_mvar", + "max_q_mvar", + "GS", + "BS", + "vn_kv", + ] + gen_features = [ + "p_mw", + "min_p_mw", + "max_p_mw", + "cp0_eur", + "cp1_eur_per_mw", + "cp2_eur_per_mw2", + "in_service", + ] + common_branch_features = ["tap", "ang_min", "ang_max", "rate_a", "br_status"] + forward_branch_features = [ + "pf", + "qf", + "Yff_r", + "Yff_i", + "Yft_r", + "Yft_i", + ] + common_branch_features + reverse_branch_features = [ + "pt", + "qt", + "Ytt_r", + "Ytt_i", + "Ytf_r", + "Ytf_i", + ] + common_branch_features + + # Group by scenario + bus_groups = bus_data.groupby("scenario") + gen_groups = gen_data.groupby("scenario") + branch_groups = branch_data.groupby("scenario") + + # Process each scenario + for scenario in tqdm( + bus_data["scenario"].unique(), + desc="Processing scenarios", + ): + if ( + scenario not in gen_groups.groups + or scenario not in branch_groups.groups + ): + raise ValueError + + data = HeteroData() + + # Bus nodes + bus_df = bus_groups.get_group(scenario) + data["bus"].x = torch.tensor(bus_df[bus_features].values, dtype=torch.float) + + # Generator nodes + gen_df = gen_groups.get_group(scenario).reset_index() + data["gen"].x = torch.tensor(gen_df[gen_features].values, dtype=torch.float) + gen_df["gen_index"] = gen_df.index # Use actual index as generator ID + + data["bus"].y = data["bus"].x[:, : (VA_H + 1)].clone() + data["gen"].y = data["gen"].x[:, : (PG_H + 1)].clone() + + # Bus-Bus edges + branch_df = branch_groups.get_group(scenario) + + forward_edges = torch.tensor( + branch_df[["from_bus", "to_bus"]].values.T, + dtype=torch.long, + ) + forward_edge_attr = torch.tensor( + branch_df[forward_branch_features].values, + dtype=torch.float, + ) + + reverse_edges = torch.tensor( + branch_df[["to_bus", "from_bus"]].values.T, + dtype=torch.long, + ) + reverse_edge_attr = torch.tensor( + branch_df[reverse_branch_features].values, + dtype=torch.float, + ) + + edge_index = torch.cat([forward_edges, reverse_edges], dim=1) + edge_attr = torch.cat([forward_edge_attr, reverse_edge_attr], dim=0) + + forward_targets = torch.tensor( + branch_df[["pf", "qf"]].values, + dtype=torch.float, + ) + reverse_targets = torch.tensor( + branch_df[["pt", "qt"]].values, + dtype=torch.float, + ) + edge_y = torch.cat([forward_targets, reverse_targets], dim=0) + + data["bus", "connects", "bus"].edge_index = edge_index + data["bus", "connects", "bus"].edge_attr = edge_attr + data["bus", "connects", "bus"].y = edge_y + + # Gen-Bus and Bus-Gen edges + data["gen", "connected_to", "bus"].edge_index = torch.tensor( + gen_df[["gen_index", "bus"]].values.T, + dtype=torch.long, + ) + data["bus", "connected_to", "gen"].edge_index = torch.tensor( + gen_df[["bus", "gen_index"]].values.T, + dtype=torch.long, + ) + + data["scenario_id"] = torch.tensor([scenario], dtype=torch.long) + + # Save graph + torch.save( + data.to_dict(), + osp.join(self.processed_dir, f"data_index_{scenario}.pt"), + ) + + with open(osp.join(self.processed_dir, self.processed_done_file), "w") as f: + f.write("done") + + def len(self): + if self.length is None: + files = [ + f + for f in os.listdir(self.processed_dir) + if f.startswith( + "data_index_", + ) + and f.endswith(".pt") + ] + self.length = len(files) + return self.length + + def get(self, idx): + file_name = osp.join( + self.processed_dir, + f"data_index_{idx}.pt", + ) + if not osp.exists(file_name): + raise IndexError(f"Data file {file_name} does not exist.") + data_dict = torch.load(file_name, weights_only=True) + data = HeteroData.from_dict(data_dict) + self.data_normalizer.transform(data=data) + return data diff --git a/gridfm_graphkit/datasets/task_transforms.py b/gridfm_graphkit/datasets/task_transforms.py new file mode 100644 index 0000000..eaaca66 --- /dev/null +++ b/gridfm_graphkit/datasets/task_transforms.py @@ -0,0 +1,57 @@ +from torch_geometric.transforms import Compose +from gridfm_graphkit.datasets.transforms import ( + RemoveInactiveBranches, + RemoveInactiveGenerators, + ApplyMasking, + LoadGridParamsFromPath, +) +from gridfm_graphkit.datasets.masking import ( + AddOPFHeteroMask, + AddPFHeteroMask, + SimulateMeasurements, +) +from gridfm_graphkit.io.registries import TRANSFORM_REGISTRY + + +@TRANSFORM_REGISTRY.register("PowerFlow") +class PowerFlowTransforms(Compose): + def __init__(self, args): + transforms = [] + + transforms.append(RemoveInactiveBranches()) + transforms.append(RemoveInactiveGenerators()) + transforms.append(AddPFHeteroMask()) + transforms.append(ApplyMasking(args=args)) + + # Pass the list of transforms to Compose + super().__init__(transforms) + + +@TRANSFORM_REGISTRY.register("OptimalPowerFlow") +class OptimalPowerFlowTransforms(Compose): + def __init__(self, args): + transforms = [] + + transforms.append(RemoveInactiveBranches()) + transforms.append(RemoveInactiveGenerators()) + transforms.append(AddOPFHeteroMask()) + transforms.append(ApplyMasking(args=args)) + + # Pass the list of transforms to Compose + super().__init__(transforms) + + +@TRANSFORM_REGISTRY.register("StateEstimation") +class StateEstimationTransforms(Compose): + def __init__(self, args): + transforms = [] + + if hasattr(args.task, "grid_path"): + transforms.append(LoadGridParamsFromPath(args)) + transforms.append(RemoveInactiveBranches()) + transforms.append(RemoveInactiveGenerators()) + transforms.append(SimulateMeasurements(args=args)) + transforms.append(ApplyMasking(args=args)) + + # Pass the list of transforms to Compose + super().__init__(transforms) diff --git a/gridfm_graphkit/datasets/transforms.py b/gridfm_graphkit/datasets/transforms.py index fb770d3..2f73033 100644 --- a/gridfm_graphkit/datasets/transforms.py +++ b/gridfm_graphkit/datasets/transforms.py @@ -1,237 +1,125 @@ -from gridfm_graphkit.datasets.globals import PQ, PV, REF, PG, QG, VM, VA, G, B -from gridfm_graphkit.io.registries import MASKING_REGISTRY - +from copy import deepcopy import torch -from torch import Tensor from torch_geometric.transforms import BaseTransform -from typing import Optional -import torch_geometric.typing -from torch_geometric.data import Data -from torch_geometric.utils import ( - get_self_loop_attr, - is_torch_sparse_tensor, - to_edge_index, - to_torch_coo_tensor, - to_torch_csr_tensor, +from torch_geometric.data import HeteroData +from gridfm_graphkit.datasets.globals import ( + # Generator feature indices + G_ON, + # Edge feature indices + B_ON, + YFF_TT_I, + YFF_TT_R, + YFT_TF_I, + YFT_TF_R, ) +from gridfm_graphkit.datasets.normalizers import HeteroDataMVANormalizer -class AddNormalizedRandomWalkPE(BaseTransform): - r"""Adds the random walk positional encoding from the - [Graph Neural Networks with Learnable Structural and Positional Representations](https://arxiv.org/abs/2110.07875) - paper to the given graph. This is an adaptation from the original Pytorch Geometric implementation. - - Args: - walk_length (int): The number of random walk steps. - attr_name (str, optional): The attribute name of the data object to add - positional encodings to. If set to :obj:`None`, will be - concatenated to :obj:`data.x`. - (default: :obj:`"random_walk_pe"`) +class RemoveInactiveGenerators(BaseTransform): + """ + Removes generators where G_ON == 0. + Uses the global index G_ON to access generator on/off flag. """ - def __init__( - self, - walk_length: int, - attr_name: Optional[str] = "random_walk_pe", - ) -> None: - self.walk_length = walk_length - self.attr_name = attr_name - - def forward(self, data: Data) -> Data: - if data.edge_index is None: - raise ValueError("Expected data.edge_index to be not None") - row, col = data.edge_index - N = data.num_nodes - if N is None: - raise ValueError("Expected data.num_nodes to be not None") - - if N <= 2_000: # Dense code path for faster computation: - adj = torch.zeros((N, N), device=row.device) - adj[row, col] = data.edge_weight - loop_index = torch.arange(N, device=row.device) - elif torch_geometric.typing.WITH_WINDOWS: - adj = to_torch_coo_tensor( - data.edge_index, - data.edge_weight, - size=data.size(), - ) - else: - adj = to_torch_csr_tensor( - data.edge_index, - data.edge_weight, - size=data.size(), - ) + def forward(self, data): + # Mask of generators that are ON + active_mask = data["gen"].x[:, G_ON] == 1 + + num_gen = data["gen"].num_nodes - row_sums = adj.sum(dim=1, keepdim=True) # Sum along rows - row_sums = row_sums.clamp(min=1e-8) # Prevent division by zero + # Mapping old generator IDs → new compact IDs + old_to_new = torch.full((num_gen,), -1, dtype=torch.long) + old_to_new[active_mask] = torch.arange(active_mask.sum()) - adj = adj / row_sums # Normalize each row to sum to 1 + # Filter generator node features + data["gen"].x = data["gen"].x[active_mask] + data["gen"].x = data["gen"].x[:, :G_ON] + data["gen"].y = data["gen"].y[active_mask] - def get_pe(out: Tensor) -> Tensor: - if is_torch_sparse_tensor(out): - return get_self_loop_attr(*to_edge_index(out), num_nodes=N) - return out[loop_index, loop_index] + # ---- Update hetero edges ---- - out = adj - pe_list = [get_pe(out)] - for _ in range(self.walk_length - 1): - out = out @ adj - pe_list.append(get_pe(out)) + # gen → bus edges + e = data["gen", "connected_to", "bus"].edge_index + keep = active_mask[e[0]] # generator is source + new_e = e[:, keep].clone() + new_e[0] = old_to_new[new_e[0]] + data["gen", "connected_to", "bus"].edge_index = new_e - pe = torch.stack(pe_list, dim=-1) - data[self.attr_name] = pe + # bus → gen edges + e = data["bus", "connected_to", "gen"].edge_index + keep = active_mask[e[1]] # generator is target + new_e = e[:, keep].clone() + new_e[1] = old_to_new[new_e[1]] + data["bus", "connected_to", "gen"].edge_index = new_e return data -class AddEdgeWeights(BaseTransform): +class RemoveInactiveBranches(BaseTransform): """ - Computes and adds edge weight as the magnitude of complex admittance. - - The magnitude is computed from the G and B components in `data.edge_attr` and stored in `data.edge_weight`. + Removes branches where B_ON == 0. + Uses global index B_ON in edge_attr. """ def forward(self, data): - if not hasattr(data, "edge_attr"): - raise AttributeError("Data must have 'edge_attr'.") - - # Extract real and imaginary parts of admittance - real = data.edge_attr[:, G] - imag = data.edge_attr[:, B] + et = ("bus", "connects", "bus") - # Compute the magnitude of the complex admittance - edge_weight = torch.sqrt(real**2 + imag**2) + # Mask for active (in-service) branches + active_mask = data[et].edge_attr[:, B_ON] == 1 - # Add the computed edge weights to the data object - data.edge_weight = edge_weight + # Apply the mask + data[et].edge_index = data[et].edge_index[:, active_mask] + data[et].edge_attr = data[et].edge_attr[active_mask] + data[et].edge_attr = data[et].edge_attr[:, :B_ON] + data[et].y = data[et].y[active_mask] return data -@MASKING_REGISTRY.register("none") -class AddIdentityMask(BaseTransform): - """Creates an identity mask, and adds it as a `mask` attribute. - - The mask is generated such that every entry is False, so no masking is actually applied +class ApplyMasking(BaseTransform): """ - - def __init__(self, args): - super().__init__() - - def forward(self, data): - if not hasattr(data, "y"): - raise AttributeError("Data must have ground truth 'y'.") - - # Generate an identity mask - mask = torch.zeros_like(data.y, dtype=torch.bool) - - # Add the mask to the data object - data.mask = mask - - return data - - -@MASKING_REGISTRY.register("rnd") -class AddRandomMask(BaseTransform): - """Creates a random mask, and adds it as a `mask` attribute. - - The mask is generated such that each entry is `True` with probability - `mask_ratio` and `False` otherwise. + Apply masking to data """ def __init__(self, args): super().__init__() - self.mask_dim = args.data.mask_dim - self.mask_ratio = args.data.mask_ratio + self.mask_value = args.data.mask_value def forward(self, data): - if not hasattr(data, "x"): - raise AttributeError("Data must have node features 'x'.") - - # Generate a random mask - mask = torch.rand(data.x.size(0), self.mask_dim) < self.mask_ratio - - # Add the mask to the data object - data.mask = mask + data.x_dict["bus"][data.mask_dict["bus"]] = self.mask_value + data.x_dict["gen"][data.mask_dict["gen"]] = self.mask_value + data.edge_attr_dict[("bus", "connects", "bus")][data.mask_dict["branch"]] = ( + self.mask_value + ) return data -@MASKING_REGISTRY.register("pf") -class AddPFMask(BaseTransform): - """Creates a mask according to the power flow problem and assigns it as a `mask` attribute.""" - +class LoadGridParamsFromPath(BaseTransform): def __init__(self, args): super().__init__() + self.grid_path = args.task.grid_path + self.grid_data = HeteroData.from_dict( + torch.load(self.grid_path, weights_only=True), + ) - def forward(self, data): - # Ensure the data object has the required attributes - if not hasattr(data, "y"): - raise AttributeError("Data must have ground truth 'y'.") - - if not hasattr(data, "x"): - raise AttributeError("Data must have node features 'x'.") - - # Generate masks for each type of node - mask_PQ = data.x[:, PQ] == 1 # PQ buses - mask_PV = data.x[:, PV] == 1 # PV buses - mask_REF = data.x[:, REF] == 1 # Reference buses - - # Initialize the mask tensor with False values - mask = torch.zeros_like(data.y, dtype=torch.bool) - - mask[mask_PQ, VM] = True # Mask Vm for PQ buses - mask[mask_PQ, VA] = True # Mask Va for PQ buses - - mask[mask_PV, QG] = True # Mask Qg for PV buses - mask[mask_PV, VA] = True # Mask Va for PV buses - - mask[mask_REF, PG] = True # Mask Pg for REF buses - mask[mask_REF, QG] = True # Mask Qg for REF buses - - # Attach the mask to the data object - data.mask = mask - - return data - + # Normalizer is needed in order to normalize the grid_data in case the input data is normalized + self.normalizer = HeteroDataMVANormalizer(args) -@MASKING_REGISTRY.register("opf") -class AddOPFMask(BaseTransform): - """Creates a mask according to the optimal power flow problem and assigns it as a `mask` attribute.""" - - def __init__(self, args): - super().__init__() + # Set to a dummy value since it is needed for the normalizer transform, but the column vn_kv will be ignored. + self.normalizer.vn_kv_max = 1 def forward(self, data): - # Ensure the data object has the required attributes - if not hasattr(data, "y"): - raise AttributeError("Data must have ground truth 'y'.") - - if not hasattr(data, "x"): - raise AttributeError("Data must have node features 'x'.") - - # Generate masks for each type of node - mask_PQ = data.x[:, PQ] == 1 # PQ buses - mask_PV = data.x[:, PV] == 1 # PV buses - mask_REF = data.x[:, REF] == 1 # Reference buses - - # Initialize the mask tensor with False values - mask = torch.zeros_like(data.y, dtype=torch.bool) - - mask[mask_PQ, VM] = True # Mask Vm for PQ - mask[mask_PQ, VA] = True # Mask Va for PQ - - mask[mask_PV, PG] = True # Mask Pg for PV - mask[mask_PV, QG] = True # Mask Qg for PV - mask[mask_PV, VM] = True # Mask Vm for PV - mask[mask_PV, VA] = True # Mask Va for PV - - mask[mask_REF, PG] = True # Mask Pg for REF - mask[mask_REF, QG] = True # Mask Qg for REF - mask[mask_REF, VM] = True # Mask Vm for REF - mask[mask_REF, VA] = True # Mask Va for REF - - # Attach the mask to the data object - data.mask = mask + if hasattr(data, "is_normalized"): + self.normalizer.baseMVA = data.baseMVA + grid_data = deepcopy(self.grid_data) + self.normalizer.transform(grid_data) + else: + grid_data = deepcopy(self.grid_data) + cols = [YFF_TT_R, YFF_TT_I, YFT_TF_R, YFT_TF_I, B_ON] + data[("bus", "connects", "bus")].edge_attr[:, cols] = grid_data[ + ("bus", "connects", "bus") + ].edge_attr[:, cols] + data["gen"].x[:, G_ON] = grid_data["gen"].x[:, G_ON] return data diff --git a/gridfm_graphkit/datasets/utils.py b/gridfm_graphkit/datasets/utils.py index 7f3a27b..d1a122c 100644 --- a/gridfm_graphkit/datasets/utils.py +++ b/gridfm_graphkit/datasets/utils.py @@ -1,6 +1,8 @@ import numpy as np from torch.utils.data import Subset from typing import Tuple +from torch import Tensor +import torch def split_dataset( @@ -47,3 +49,34 @@ def split_dataset( test_dataset = Subset(dataset, test_indices) return train_dataset, val_dataset, test_dataset + + +def split_dataset_by_load_scenario_idx( + dataset, + log_dir: str, + load_scenarios: Tensor, + val_ratio: float = 0.1, + test_ratio: float = 0.1, +) -> Tuple[Subset, Subset, Subset]: + if val_ratio + test_ratio >= 1: + raise ValueError("The sum of val_ratio and test_ratio must be less than 1.") + + unique_load_scenarios = torch.unique(load_scenarios) + val_size = int(val_ratio * len(unique_load_scenarios)) + test_size = int(test_ratio * len(unique_load_scenarios)) + train_size = len(unique_load_scenarios) - val_size - test_size + + unique_load_scenarios = torch.tensor(np.random.permutation(unique_load_scenarios)) + train_load_scenarios = unique_load_scenarios[:train_size] + val_load_scenarios = unique_load_scenarios[train_size : train_size + val_size] + test_load_scenarios = unique_load_scenarios[train_size + val_size :] + + train_indices = torch.nonzero(torch.isin(load_scenarios, train_load_scenarios)) + val_indices = torch.nonzero(torch.isin(load_scenarios, val_load_scenarios)) + test_indices = torch.nonzero(torch.isin(load_scenarios, test_load_scenarios)) + + train_dataset = Subset(dataset, train_indices) + val_dataset = Subset(dataset, val_indices) + test_dataset = Subset(dataset, test_indices) + + return train_dataset, val_dataset, test_dataset diff --git a/gridfm_graphkit/io/param_handler.py b/gridfm_graphkit/io/param_handler.py index 8ab70a3..ea86e3c 100644 --- a/gridfm_graphkit/io/param_handler.py +++ b/gridfm_graphkit/io/param_handler.py @@ -1,17 +1,17 @@ -from gridfm_graphkit.training.loss import ( - PBELoss, - MaskedMSELoss, - SCELoss, - MixedLoss, - MSELoss, -) +import torch +from gridfm_graphkit.training.loss import MixedLoss from gridfm_graphkit.io.registries import ( - MASKING_REGISTRY, NORMALIZERS_REGISTRY, MODELS_REGISTRY, + LOSS_REGISTRY, + TRANSFORM_REGISTRY, + TASK_REGISTRY, + PHYSICS_DECODER_REGISTRY, ) import argparse +from torch_geometric.transforms import Compose +from gridfm_graphkit.tasks.base_task import BaseTask class NestedNamespace(argparse.Namespace): @@ -26,6 +26,14 @@ def __init__(self, **kwargs): if isinstance(value, dict): # Recursively convert dictionaries to NestedNamespace setattr(self, key, NestedNamespace(**value)) + elif isinstance(value, list): + list_of_namespaces = [] + for element in value: + if isinstance(element, dict): + list_of_namespaces.append(NestedNamespace(**element)) + else: + list_of_namespaces.append(element) + setattr(self, key, list_of_namespaces) else: setattr(self, key, value) @@ -69,9 +77,8 @@ def load_normalizer(args): try: return NORMALIZERS_REGISTRY.create( method, - True, args, - ), NORMALIZERS_REGISTRY.create(method, False, args) + ) except KeyError: raise ValueError(f"Unknown transformation: {method}") @@ -90,22 +97,16 @@ def get_loss_function(args): ValueError: If an unknown loss function is specified. """ loss_functions = [] - for loss_name in args.training.losses: - if loss_name == "MSE": - loss_functions.append(MSELoss()) - elif loss_name == "MaskedMSE": - loss_functions.append(MaskedMSELoss()) - elif loss_name == "SCE": - loss_functions.append(SCELoss()) - elif loss_name == "PBE": - loss_functions.append(PBELoss()) - else: - raise ValueError(f"Unknown loss function: {loss_name}") + for loss_name, loss_args in zip(args.training.losses, args.training.loss_args): + try: + loss_functions.append(LOSS_REGISTRY.create(loss_name, loss_args, args)) + except KeyError: + raise ValueError(f"Unknown loss: {loss_name}") return MixedLoss(loss_functions=loss_functions, weights=args.training.loss_weights) -def load_model(args): +def load_model(args) -> torch.nn.Module: """ Load the appropriate model @@ -126,13 +127,38 @@ def load_model(args): raise ValueError(f"Unknown model type: {model_type}") -def get_transform(args): +def get_task_transforms(args) -> Compose: + """ + Load the task-specific transforms + """ + + task_transforms = args.task.task_name + + try: + return TRANSFORM_REGISTRY.create(task_transforms, args) + except KeyError: + raise ValueError(f"Unknown task: {task_transforms}") + + +def get_task(args, data_normalizers) -> BaseTask: + """ + Load the task module + """ + task = args.task.task_name + + try: + return TASK_REGISTRY.create(task, args, data_normalizers) + except KeyError: + raise ValueError(f"Unknown task: {task}") + + +def get_physics_decoder(args) -> torch.nn.Module: """ - Load the appropriate dataset transform from the registry. + Load the task module """ - mask_type = args.data.mask_type + task = args.task.task_name try: - return MASKING_REGISTRY.create(mask_type, args) + return PHYSICS_DECODER_REGISTRY.create(task) except KeyError: - raise ValueError(f"Unknown transformation: {mask_type}") + raise ValueError(f"No physics decoder associate to {task} task") diff --git a/gridfm_graphkit/io/registries.py b/gridfm_graphkit/io/registries.py index adaac9e..27d56b7 100644 --- a/gridfm_graphkit/io/registries.py +++ b/gridfm_graphkit/io/registries.py @@ -37,6 +37,9 @@ def __len__(self): return len(self._registry) -MASKING_REGISTRY = Registry("mask") NORMALIZERS_REGISTRY = Registry("norm") MODELS_REGISTRY = Registry("model") +LOSS_REGISTRY = Registry("loss") +TASK_REGISTRY = Registry("task") +TRANSFORM_REGISTRY = Registry("transform") +PHYSICS_DECODER_REGISTRY = Registry("physics_decoder") diff --git a/gridfm_graphkit/models/__init__.py b/gridfm_graphkit/models/__init__.py index de355d3..f824535 100644 --- a/gridfm_graphkit/models/__init__.py +++ b/gridfm_graphkit/models/__init__.py @@ -1,4 +1,13 @@ -from gridfm_graphkit.models.gps_transformer import GPSTransformer -from gridfm_graphkit.models.gnn_transformer import GNN_TransformerConv +from gridfm_graphkit.models.gnn_heterogeneous_gns import GNS_heterogeneous +from gridfm_graphkit.models.utils import ( + PhysicsDecoderOPF, + PhysicsDecoderPF, + PhysicsDecoderSE, +) -__all__ = ["GPSTransformer", "GNN_TransformerConv"] +__all__ = [ + "GNS_heterogeneous", + "PhysicsDecoderOPF", + "PhysicsDecoderPF", + "PhysicsDecoderSE", +] diff --git a/gridfm_graphkit/models/gnn_heterogeneous_gns.py b/gridfm_graphkit/models/gnn_heterogeneous_gns.py new file mode 100644 index 0000000..1073560 --- /dev/null +++ b/gridfm_graphkit/models/gnn_heterogeneous_gns.py @@ -0,0 +1,281 @@ +import torch +from torch import nn +from torch_geometric.nn import HeteroConv, TransformerConv +from gridfm_graphkit.io.registries import MODELS_REGISTRY +from gridfm_graphkit.io.param_handler import get_physics_decoder +from torch_scatter import scatter_add +from gridfm_graphkit.models.utils import ( + ComputeBranchFlow, + ComputeNodeInjection, + ComputeNodeResiduals, + bound_with_sigmoid, +) +from gridfm_graphkit.datasets.globals import ( + # Bus feature indices + VM_H, + VA_H, + MIN_VM_H, + MAX_VM_H, + # Output feature indices + VM_OUT, + PG_OUT_GEN, + # Generator feature indices + PG_H, + MIN_PG, + MAX_PG, +) + + +@MODELS_REGISTRY.register("GNS_heterogeneous") +class GNS_heterogeneous(nn.Module): + """ + Heterogeneous version of your Transformer-based GNN for buses and generators. + - Expects node features as dict: x_dict = {"bus": Tensor[num_bus, bus_feat], "gen": Tensor[num_gen, gen_feat]} + - Expects edge_index_dict and edge_attr_dict with keys: + ("bus","connects","bus"), ("gen","connected_to","bus"), ("bus","connected_to","gen") + (edge_attr only needed for bus-bus currently; other relations can be None) + - Keeps the physics residual idea but splits it into bus-step and gen-step residuals. + """ + + def __init__(self, args) -> None: + super().__init__() + self.num_layers = args.model.num_layers + self.hidden_dim = args.model.hidden_size + self.input_bus_dim = args.model.input_bus_dim + self.input_gen_dim = args.model.input_gen_dim + self.output_bus_dim = args.model.output_bus_dim + self.output_gen_dim = args.model.output_gen_dim + self.edge_dim = args.model.edge_dim + self.heads = args.model.attention_head + self.task = args.task.task_name + self.dropout = getattr(args.model, "dropout", 0.0) + + # projections for each node type + self.input_proj_bus = nn.Sequential( + nn.Linear(self.input_bus_dim, self.hidden_dim), + nn.LeakyReLU(), + nn.Linear(self.hidden_dim, self.hidden_dim), + nn.LayerNorm(self.hidden_dim), + ) + + self.input_proj_gen = nn.Sequential( + nn.Linear(self.input_gen_dim, self.hidden_dim), + nn.LeakyReLU(), + nn.Linear(self.hidden_dim, self.hidden_dim), + nn.LayerNorm(self.hidden_dim), + ) + + self.input_proj_edge = nn.Sequential( + nn.Linear(self.edge_dim, self.hidden_dim), + nn.LeakyReLU(), + nn.Linear(self.hidden_dim, self.hidden_dim), + nn.LayerNorm(self.hidden_dim), + ) + + # a small physics MLP that will take residuals (real, imag) and return a correction + self.physics_mlp = nn.Sequential( + nn.Linear(2, self.hidden_dim * self.heads), + nn.LeakyReLU(), + ) + + # Build hetero layers: HeteroConv of TransformerConv per relation + self.layers = nn.ModuleList() + self.norms_bus = nn.ModuleList() + self.norms_gen = nn.ModuleList() + for i in range(self.num_layers): + # in-channels depend on whether it is first layer (hidden_dim) or subsequent (hidden_dim * heads) + in_bus = self.hidden_dim if i == 0 else self.hidden_dim * self.heads + in_gen = self.hidden_dim if i == 0 else self.hidden_dim * self.heads + out_dim = self.hidden_dim # TransformerConv will output hidden_dim (per head reduction in HeteroConv call) + + # relation -> conv module mapping + conv_dict = { + ("bus", "connects", "bus"): TransformerConv( + in_bus, + out_dim, + heads=self.heads, + edge_dim=self.hidden_dim, + dropout=self.dropout, + beta=True, + ), + ("gen", "connected_to", "bus"): TransformerConv( + in_gen, + out_dim, + heads=self.heads, + dropout=self.dropout, + beta=True, + ), + ("bus", "connected_to", "gen"): TransformerConv( + in_bus, + out_dim, + heads=self.heads, + dropout=self.dropout, + beta=True, + ), + } + + hetero_conv = HeteroConv(conv_dict, aggr="sum") + self.layers.append(hetero_conv) + + # Norms for node representations (note: after HeteroConv each node type will have size out_dim * heads) + self.norms_bus.append(nn.LayerNorm(out_dim * self.heads)) + self.norms_gen.append(nn.LayerNorm(out_dim * self.heads)) + + # Separate shared MLPs to produce final bus/gen outputs (predictions y) + self.mlp_bus = nn.Sequential( + nn.Linear(self.hidden_dim * self.heads, self.hidden_dim), + nn.LayerNorm(self.hidden_dim), + nn.LeakyReLU(), + nn.Linear(self.hidden_dim, self.output_bus_dim), + ) + + self.mlp_gen = nn.Sequential( + nn.Linear(self.hidden_dim * self.heads, self.hidden_dim), + nn.LayerNorm(self.hidden_dim), + nn.LeakyReLU(), + nn.Linear(self.hidden_dim, self.output_gen_dim), + ) + + # mask param (kept similar to your original) + self.activation = nn.LeakyReLU() + self.branch_flow_layer = ComputeBranchFlow() + self.node_injection_layer = ComputeNodeInjection() + self.node_residuals_layer = ComputeNodeResiduals() + self.physics_decoder = get_physics_decoder(args) + + # container for monitoring residual norms per layer and type + self.layer_residuals = {} + + def forward(self, x_dict, edge_index_dict, edge_attr_dict, mask_dict): + """ + x_dict: {"bus": Tensor[num_bus, bus_feat], "gen": Tensor[num_gen, gen_feat]} + edge_index_dict: keys like ("bus","connects","bus"), ("gen","connected_to","bus"), ("bus","connected_to","gen") + edge_attr_dict: same keys -> edge attributes (bus-bus requires G,B) + batch_dict: dict mapping node types to batch tensors (if using batching). Not used heavily here but kept for API parity. + mask: optional mask per node (applies when computing residuals) + """ + + self.layer_residuals = {} + + # 1) initial projections + h_bus = self.input_proj_bus(x_dict["bus"]) # [num_bus, hidden_dim] + h_gen = self.input_proj_gen(x_dict["gen"]) # [num_gen, hidden_dim] + + num_bus = x_dict["bus"].size(0) + _, gen_to_bus_index = edge_index_dict[("gen", "connected_to", "bus")] + bus_edge_index = edge_index_dict[("bus", "connects", "bus")] + bus_edge_attr = edge_attr_dict[("bus", "connects", "bus")] + + edge_attr_proj_dict = {} + for key, edge_attr in edge_attr_dict.items(): + if edge_attr is not None: + edge_attr_proj_dict[key] = self.input_proj_edge(edge_attr) + else: + edge_attr_proj_dict[key] = None + + bus_mask = mask_dict["bus"][:, VM_H : VA_H + 1] + gen_mask = mask_dict["gen"][:, : (PG_H + 1)] + bus_fixed = x_dict["bus"][:, VM_H : VA_H + 1] + gen_fixed = x_dict["gen"][:, : (PG_H + 1)] + + # iterate layers + for i, conv in enumerate(self.layers): + out_dict = conv( + {"bus": h_bus, "gen": h_gen}, + edge_index_dict, + edge_attr_proj_dict, + ) + out_bus = out_dict["bus"] # [Nb, hidden_dim * heads] + out_gen = out_dict["gen"] # [Ng, hidden_dim * heads] + + out_bus = self.activation(self.norms_bus[i](out_bus)) + out_gen = self.activation(self.norms_gen[i](out_gen)) + + # skip connection + h_bus = h_bus + out_bus if out_bus.shape == h_bus.shape else out_bus + h_gen = h_gen + out_gen if out_gen.shape == h_gen.shape else out_gen + + # Decode bus and generator predictions + bus_temp = self.mlp_bus(h_bus) # [Nb, 2] -> Vm, Va + gen_temp = self.mlp_gen(h_gen) # [Ng, 1] -> Pg + + if self.task == "StateEstimation": + if i == self.num_layers - 1: + Pft, Qft = self.branch_flow_layer( + bus_temp, + bus_edge_index, + bus_edge_attr, + ) + P_in, Q_in = self.node_injection_layer( + Pft, + Qft, + bus_edge_index, + num_bus, + ) + output_temp = self.physics_decoder( + P_in, + Q_in, + bus_temp, + x_dict["bus"], + None, + None, + ) + + else: + bus_temp = torch.where(bus_mask, bus_temp, bus_fixed) + gen_temp = torch.where(gen_mask, gen_temp, gen_fixed) + + if self.task == "OptimalPowerFlow": + bus_temp[:, VM_OUT] = bound_with_sigmoid( + bus_temp[:, VM_OUT], + x_dict["bus"][:, MIN_VM_H], + x_dict["bus"][:, MAX_VM_H], + ) + gen_temp[:, PG_OUT_GEN] = bound_with_sigmoid( + gen_temp[:, PG_OUT_GEN], + x_dict["gen"][:, MIN_PG], + x_dict["gen"][:, MAX_PG], + ) + + Pft, Qft = self.branch_flow_layer( + bus_temp, + bus_edge_index, + bus_edge_attr, + ) + P_in, Q_in = self.node_injection_layer( + Pft, + Qft, + bus_edge_index, + num_bus, + ) + agg_bus = scatter_add( + gen_temp.squeeze(), + gen_to_bus_index, + dim=0, + dim_size=num_bus, + ) + output_temp = self.physics_decoder( + P_in, + Q_in, + bus_temp, + x_dict["bus"], + agg_bus, + mask_dict, + ) + residual_P, residual_Q = self.node_residuals_layer( + P_in, + Q_in, + output_temp, + x_dict["bus"], + ) + + bus_residuals = torch.stack([residual_P, residual_Q], dim=-1) + + # Save and project residuals to latent space + self.layer_residuals[i] = torch.linalg.norm( + bus_residuals, + dim=-1, + ).mean() + h_bus = h_bus + self.physics_mlp(bus_residuals) + + return {"bus": output_temp, "gen": gen_temp} diff --git a/gridfm_graphkit/models/gnn_transformer.py b/gridfm_graphkit/models/gnn_transformer.py deleted file mode 100644 index 9e1ab23..0000000 --- a/gridfm_graphkit/models/gnn_transformer.py +++ /dev/null @@ -1,96 +0,0 @@ -from gridfm_graphkit.io.registries import MODELS_REGISTRY -from torch_geometric.nn import TransformerConv -from torch import nn -import torch - - -@MODELS_REGISTRY.register("GNN_TransformerConv") -class GNN_TransformerConv(nn.Module): - """ - Graph Neural Network using [TransformerConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.TransformerConv.html) layers from PyTorch Geometric. - - Args: - args (NestedNamespace): Parameters - - Attributes: - input_dim (int): Dimensionality of input node features. From ``args.model.input_dim``. - hidden_dim (int): Hidden dimension size for TransformerConv layers. From ``args.model.hidden_dim``. - output_dim (int): Output dimension size. From ``args.model.output_dim``. - edge_dim (int): Dimensionality of edge features. From ``args.model.edge_dim``. - num_layers (int): Number of TransformerConv layers. From ``args.model.num_layers``. - heads (int, optional): Number of attention heads. From ``args.model.heads``. Defaults to 1. - mask_dim (int, optional): Dimension of mask vector. From ``args.data.mask_dim``. Defaults to 6. - mask_value (float, optional): Initial mask value. From ``args.data.mask_value``. Defaults to -1.0. - learn_mask (bool, optional): Whether mask values are learnable. From ``args.data.learn_mask``. Defaults to True. - """ - - def __init__(self, args): - super().__init__() - - # === Required (no defaults originally) === - self.input_dim = args.model.input_dim - self.hidden_dim = args.model.hidden_size - self.output_dim = args.model.output_dim - self.edge_dim = args.model.edge_dim - self.num_layers = args.model.num_layers - - # === Optional (had defaults originally) === - self.heads = getattr(args.model, "attention_head", 1) - self.mask_dim = getattr(args.data, "mask_dim", 6) - self.mask_value = getattr(args.data, "mask_value", -1.0) - self.learn_mask = getattr(args.data, "learn_mask", False) - - self.layers = nn.ModuleList() - current_dim = self.input_dim # First layer takes `input_dim` as input - - for _ in range(self.num_layers): - self.layers.append( - TransformerConv( - current_dim, - self.hidden_dim, - heads=self.heads, - edge_dim=self.edge_dim, - beta=False, - ), - ) - # Update the dimension for the next layer - current_dim = self.hidden_dim * self.heads - - # Fully connected (MLP) layers after the GAT layers - self.mlps = nn.Sequential( - nn.Linear(self.hidden_dim * self.heads, self.hidden_dim), - nn.LeakyReLU(), - nn.Linear(self.hidden_dim, self.output_dim), - ) - - if self.learn_mask: - self.mask_value = nn.Parameter( - torch.randn(self.mask_dim) + self.mask_value, - requires_grad=True, - ) - else: - self.mask_value = nn.Parameter( - torch.zeros(self.mask_dim) + self.mask_value, - requires_grad=False, - ) - - def forward(self, x, pe, edge_index, edge_attr, batch): - """ - Forward pass for the GPSTransformer. - - Args: - x (Tensor): Input node features of shape [num_nodes, input_dim]. - pe (Tensor): Positional encoding of shape [num_nodes, pe_dim] (not used). - edge_index (Tensor): Edge indices for graph convolution. - edge_attr (Tensor): Edge feature tensor. - batch (Tensor): Batch vector assigning nodes to graphs (not used). - - Returns: - output (Tensor): Output node features of shape [num_nodes, output_dim]. - """ - for conv in self.layers: - x = conv(x, edge_index, edge_attr) - x = nn.LeakyReLU()(x) - - x = self.mlps(x) - return x diff --git a/gridfm_graphkit/models/gps_transformer.py b/gridfm_graphkit/models/gps_transformer.py deleted file mode 100644 index cc8b648..0000000 --- a/gridfm_graphkit/models/gps_transformer.py +++ /dev/null @@ -1,140 +0,0 @@ -from gridfm_graphkit.io.registries import MODELS_REGISTRY -from torch_geometric.nn import GPSConv, GINEConv -from torch import nn -import torch - - -@MODELS_REGISTRY.register("GPSTransformer") -class GPSTransformer(nn.Module): - """ - A GPS (Graph Transformer) model based on [GPSConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.GPSConv.html) and [GINEConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.GINEConv.html) layers from Pytorch Geometric. - - This model encodes node features and positional encodings separately, - then applies multiple graph convolution layers with batch normalization, - and finally decodes to the output dimension. - - Args: - args (NestedNamespace): Parameters - - Attributes: - input_dim (int): Dimension of input node features. From ``args.model.input_dim``. - hidden_dim (int): Hidden dimension size for all layers. From ``args.model.hidden_size``. - output_dim (int): Dimension of the output node features. From ``args.model.output_dim``. - edge_dim (int): Dimension of edge features. From ``args.model.edge_dim``. - pe_dim (int): Dimension of the positional encoding. Must be less than ``hidden_dim``. From ``args.model.pe_dim``. - num_layers (int): Number of GPSConv layers. From ``args.model.num_layers``. - heads (int, optional): Number of attention heads in GPSConv. From ``args.model.attention_head``. Defaults to 1. - dropout (float, optional): Dropout rate in GPSConv. From ``args.model.dropout``. Defaults to 0.0. - mask_dim (int, optional): Dimension of the mask vector. From ``args.data.mask_dim``. Defaults to 6. - mask_value (float, optional): Initial value for learnable mask parameters. From ``args.data.mask_value``. Defaults to -1.0. - learn_mask (bool, optional): Whether to learn mask values as parameters. From ``args.data.learn_mask``. Defaults to True. - - Raises: - ValueError: If `pe_dim` is not less than `hidden_dim`. - """ - - def __init__(self, args): - super().__init__() - - # === Required (no defaults in original) === - self.input_dim = args.model.input_dim - self.hidden_dim = args.model.hidden_size - self.output_dim = args.model.output_dim - self.edge_dim = args.model.edge_dim - self.pe_dim = args.model.pe_dim - self.num_layers = args.model.num_layers - - # === Optional (defaults in original) === - self.heads = getattr(args.model, "attention_head", 1) - self.dropout = getattr(args.model, "dropout", 0.0) - self.mask_dim = getattr(args.data, "mask_dim", 6) - self.mask_value = getattr(args.data, "mask_value", -1.0) - self.learn_mask = getattr(args.data, "learn_mask", True) - - if not self.pe_dim < self.hidden_dim: - raise ValueError( - "positional encoding dimension must be smaller than model hidden dimension", - ) - - self.layers = nn.ModuleList() - - self.encoder = nn.Sequential( - nn.Linear(self.input_dim, self.hidden_dim - self.pe_dim), - nn.LeakyReLU(), - ) - self.input_norm = nn.BatchNorm1d(self.hidden_dim - self.pe_dim) - self.pe_norm = nn.BatchNorm1d(self.pe_dim) - - for _ in range(self.num_layers): - mlp = nn.Sequential( - nn.Linear(in_features=self.hidden_dim, out_features=self.hidden_dim), - nn.LeakyReLU(), - ) - self.layers.append( - nn.ModuleDict( - { - "conv": GPSConv( - channels=self.hidden_dim, - conv=GINEConv(nn=mlp, edge_dim=self.edge_dim), - heads=self.heads, - dropout=self.dropout, - ), - "norm": nn.BatchNorm1d( - self.hidden_dim, - ), # BatchNorm after each graph layer - }, - ), - ) - - self.pre_decoder_norm = nn.BatchNorm1d(self.hidden_dim) - # Fully connected (MLP) layers after the GAT layers - self.decoder = nn.Sequential( - nn.Linear(self.hidden_dim, self.hidden_dim), - nn.LeakyReLU(), - nn.Linear(self.hidden_dim, self.output_dim), - ) - - if self.learn_mask: - self.mask_value = nn.Parameter( - torch.randn(self.mask_dim) + self.mask_value, - requires_grad=True, - ) - else: - self.mask_value = nn.Parameter( - torch.zeros(self.mask_dim) + self.mask_value, - requires_grad=False, - ) - - def forward(self, x, pe, edge_index, edge_attr, batch): - """ - Forward pass for the GPSTransformer. - - Args: - x (Tensor): Input node features of shape [num_nodes, input_dim]. - pe (Tensor): Positional encoding of shape [num_nodes, pe_dim]. - edge_index (Tensor): Edge indices for graph convolution. - edge_attr (Tensor): Edge feature tensor. - batch (Tensor): Batch vector assigning nodes to graphs. - - Returns: - output (Tensor): Output node features of shape [num_nodes, output_dim]. - """ - x_pe = self.pe_norm(pe) - - x = self.encoder(x) - x = self.input_norm(x) - - x = torch.cat((x, x_pe), 1) - for layer in self.layers: - x = layer["conv"]( - x=x, - edge_index=edge_index, - edge_attr=edge_attr, - batch=batch, - ) - x = layer["norm"](x) - - x = self.pre_decoder_norm(x) - x = self.decoder(x) - - return x diff --git a/gridfm_graphkit/models/utils.py b/gridfm_graphkit/models/utils.py new file mode 100644 index 0000000..46e75c7 --- /dev/null +++ b/gridfm_graphkit/models/utils.py @@ -0,0 +1,189 @@ +import torch +from torch import nn +from torch_scatter import scatter_add +from gridfm_graphkit.io.registries import PHYSICS_DECODER_REGISTRY + +from gridfm_graphkit.datasets.globals import ( + # Bus feature indices + PD_H, + QD_H, + QG_H, + GS, + BS, + # Output feature indices + VM_OUT, + VA_OUT, + PG_OUT, + QG_OUT, + # Edge feature indices + YFF_TT_R, + YFF_TT_I, + YFT_TF_R, + YFT_TF_I, +) + + +class ComputeBranchFlow(nn.Module): + """Compute sending-end branch flows (Pf, Qf) for all branches.""" + + def forward(self, bus_data, edge_index, edge_attr): + from_idx, to_idx = edge_index + + # Voltage magnitudes and angles + Vf_mag, Vf_ang = bus_data[from_idx, VM_OUT], bus_data[from_idx, VA_OUT] + Vt_mag, Vt_ang = bus_data[to_idx, VM_OUT], bus_data[to_idx, VA_OUT] + + # Real & imaginary voltage components + Vf_r = Vf_mag * torch.cos(Vf_ang) + Vf_i = Vf_mag * torch.sin(Vf_ang) + Vt_r = Vt_mag * torch.cos(Vt_ang) + Vt_i = Vt_mag * torch.sin(Vt_ang) + + # Branch admittance components + Yfftt_r, Yfftt_i = edge_attr[:, YFF_TT_R], edge_attr[:, YFF_TT_I] + Yfttf_r, Yfttf_i = edge_attr[:, YFT_TF_R], edge_attr[:, YFT_TF_I] + + # Sending-end currents + Ift_r = Yfftt_r * Vf_r - Yfftt_i * Vf_i + Yfttf_r * Vt_r - Yfttf_i * Vt_i + Ift_i = Yfftt_r * Vf_i + Yfftt_i * Vf_r + Yfttf_r * Vt_i + Yfttf_i * Vt_r + + # Sending-end power flows + Pft = Vf_r * Ift_r + Vf_i * Ift_i + Qft = Vf_i * Ift_r - Vf_r * Ift_i + + return Pft, Qft + + +class ComputeNodeInjection(nn.Module): + """Aggregate branch flows into node-level incoming injections.""" + + def forward(self, Pft, Qft, edge_index, num_bus): + """ + Args: + Pft, Qft: [num_edges] branch flows + edge_index: [2, num_edges] (from_bus, to_bus) + num_bus: number of bus nodes + Returns: + P_in, Q_in: aggregated incoming power per bus + """ + from_idx, _ = edge_index # Only sending end contributes as "incoming" to node + P_in = scatter_add(Pft, from_idx, dim=0, dim_size=num_bus) + Q_in = scatter_add(Qft, from_idx, dim=0, dim_size=num_bus) + + return P_in, Q_in + + +def compute_shunt_power(bus_data_pred, bus_data_orig): + p_shunt = -bus_data_orig[:, GS] * bus_data_pred[:, VM_OUT] ** 2 + q_shunt = bus_data_orig[:, BS] * bus_data_pred[:, VM_OUT] ** 2 + return p_shunt, q_shunt + + +@PHYSICS_DECODER_REGISTRY.register("OptimalPowerFlow") +class PhysicsDecoderOPF(nn.Module): + def forward(self, P_in, Q_in, bus_data_pred, bus_data_orig, agg_bus, mask_dict): + mask_pv = mask_dict["PV"] + mask_ref = mask_dict["REF"] + + mask_pvref = mask_pv | mask_ref + + # Shunt reactive power contribution + _, q_shunt = compute_shunt_power(bus_data_pred, bus_data_orig) + + # Reactive load + Qd = bus_data_orig[:, QD_H] + + # ---- COMPUTE Qg FOR PV & REF ---- + # Nodal reactive balance: + # Qg = Q_in + Qd - q_shunt + Qg_physics = Q_in + Qd - q_shunt + + Qg_new = torch.zeros_like(bus_data_orig[:, QG_H]) + + # PV + REF: solve from physics + Qg_new[mask_pvref] = Qg_physics[mask_pvref] + Pg_out = agg_bus # Active generation (Pg) + Qg_out = Qg_new # Reactive gen (Qg) + Vm_out = bus_data_pred[:, VM_OUT] # Voltage magnitude + Va_out = bus_data_pred[:, VA_OUT] # Voltage angle + + # Concatenate into [num_buses, 4] + output = torch.stack([Vm_out, Va_out, Pg_out, Qg_out], dim=1) + + return output + + +@PHYSICS_DECODER_REGISTRY.register("PowerFlow") +class PhysicsDecoderPF(nn.Module): + def forward(self, P_in, Q_in, bus_data_pred, bus_data_orig, agg_bus, mask_dict): + """ + PF decoder: + - Compute Pg at REF bus + - Compute Qg at PV + REF buses + - PQ buses: Pg = 0, Qg = 0 + - Return stacked tensor [Vm, Va, Pg, Qg] + """ + + # Masks + mask_pv = mask_dict["PV"] + mask_ref = mask_dict["REF"] + mask_pvref = mask_pv | mask_ref # Qg computed here + + # --- Shunt contributions --- + p_shunt, q_shunt = compute_shunt_power(bus_data_pred, bus_data_orig) + + # --- Loads --- + Pd = bus_data_orig[:, PD_H] + Qd = bus_data_orig[:, QD_H] + + # ====================== + # Qg (PV + REF) + # ====================== + Qg_new = torch.zeros_like(bus_data_orig[:, QG_H]) # PQ buses = 0 + Qg_new[mask_pvref] = Q_in[mask_pvref] + Qd[mask_pvref] - q_shunt[mask_pvref] + + # ====================== + # Pg (REF only) + # ====================== + Pg_new = torch.zeros_like(bus_data_orig[:, QG_H]) # PQ buses = 0 + Pg_new[mask_pv] = agg_bus[mask_pv] # PV: keep predicted + Pg_new[mask_ref] = ( + P_in[mask_ref] + Pd[mask_ref] - p_shunt[mask_ref] + ) # REF: balance + + # Voltages + Vm_out = bus_data_pred[:, VM_OUT] + Va_out = bus_data_pred[:, VA_OUT] + + # Stack into [num_buses, 4] -> [Vm, Va, Pg, Qg] + output = torch.stack([Vm_out, Va_out, Pg_new, Qg_new], dim=1) + + return output + + +@PHYSICS_DECODER_REGISTRY.register("StateEstimation") +class PhysicsDecoderSE(nn.Module): + def forward(self, P_in, Q_in, bus_data_pred, bus_data_orig, agg_bus, mask_dict): + p_shunt, q_shunt = compute_shunt_power(bus_data_pred, bus_data_orig) + Vm_out = bus_data_pred[:, VM_OUT] + Va_out = bus_data_pred[:, VA_OUT] + output = torch.stack([Vm_out, Va_out, P_in - p_shunt, Q_in - q_shunt], dim=1) + return output + + +class ComputeNodeResiduals(nn.Module): + """Compute net residuals per bus combining branch flows, generators, loads, and shunts.""" + + def forward(self, P_in, Q_in, bus_data_pred, bus_data_orig): + # Shunt contributions + p_shunt, q_shunt = compute_shunt_power(bus_data_pred, bus_data_orig) + + # Net residuals per bus + residual_P = bus_data_pred[:, PG_OUT] - bus_data_orig[:, PD_H] + p_shunt - P_in + residual_Q = bus_data_pred[:, QG_OUT] - bus_data_orig[:, QD_H] + q_shunt - Q_in + + return residual_P, residual_Q + + +def bound_with_sigmoid(pred, low, high): + return low + (high - low) * torch.sigmoid(pred) diff --git a/gridfm_graphkit/tasks/__init__.py b/gridfm_graphkit/tasks/__init__.py index e69de29..8ed9b13 100644 --- a/gridfm_graphkit/tasks/__init__.py +++ b/gridfm_graphkit/tasks/__init__.py @@ -0,0 +1,5 @@ +from gridfm_graphkit.tasks.pf_task import PowerFlowTask +from gridfm_graphkit.tasks.opf_task import OptimalPowerFlowTask +from gridfm_graphkit.tasks.se_task import StateEstimationTask + +__all__ = ["PowerFlowTask", "OptimalPowerFlowTask", "StateEstimationTask"] diff --git a/gridfm_graphkit/tasks/base_task.py b/gridfm_graphkit/tasks/base_task.py new file mode 100644 index 0000000..f74fae4 --- /dev/null +++ b/gridfm_graphkit/tasks/base_task.py @@ -0,0 +1,84 @@ +import os +from abc import ABC, abstractmethod +import lightning as L +from pytorch_lightning.utilities import rank_zero_only +from lightning.pytorch.loggers import MLFlowLogger +import torch +from torch.optim.lr_scheduler import ReduceLROnPlateau + + +class BaseTask(L.LightningModule, ABC): + """ + Abstract base LightningModule for feature reconstruction tasks. + Contains shared training/validation/test logic, logging, and optimizer setup. + """ + + def __init__(self, args, data_normalizers): + super().__init__() + self.args = args + self.data_normalizers = data_normalizers + self.save_hyperparameters() + + @abstractmethod + def forward(self, *args, **kwargs): + """Forward pass""" + pass + + @abstractmethod + def training_step(self, batch): + pass + + @abstractmethod + def validation_step(self, batch, batch_idx): + pass + + @abstractmethod + def test_step(self, batch, batch_idx, dataloader_idx=0): + pass + + @abstractmethod + def predict_step(self, batch, batch_idx, dataloader_idx=0): + pass + + @rank_zero_only + def on_fit_start(self): + # Save normalization statistics + if isinstance(self.logger, MLFlowLogger): + log_dir = os.path.join( + self.logger.save_dir, + self.logger.experiment_id, + self.logger.run_id, + "artifacts", + "stats", + ) + else: + log_dir = os.path.join(self.logger.save_dir, "stats") + + os.makedirs(log_dir, exist_ok=True) + log_stats_path = os.path.join(log_dir, "normalization_stats.txt") + with open(log_stats_path, "w") as log_file: + for i, normalizer in enumerate(self.data_normalizers): + log_file.write( + f"Data Normalizer {self.args.data.networks[i]} stats:\n{normalizer.get_stats()}\n\n", + ) + + def configure_optimizers(self): + self.optimizer = torch.optim.AdamW( + self.model.parameters(), + lr=self.args.optimizer.learning_rate, + betas=(self.args.optimizer.beta1, self.args.optimizer.beta2), + ) + self.scheduler = ReduceLROnPlateau( + self.optimizer, + mode="min", + factor=self.args.optimizer.lr_decay, + patience=self.args.optimizer.lr_patience, + ) + return { + "optimizer": self.optimizer, + "lr_scheduler": { + "scheduler": self.scheduler, + "monitor": "Validation loss", + "reduce_on_plateau": True, + }, + } diff --git a/gridfm_graphkit/tasks/feature_reconstruction_task.py b/gridfm_graphkit/tasks/feature_reconstruction_task.py deleted file mode 100644 index cb6963b..0000000 --- a/gridfm_graphkit/tasks/feature_reconstruction_task.py +++ /dev/null @@ -1,358 +0,0 @@ -import torch -from torch.optim.lr_scheduler import ReduceLROnPlateau -import lightning as L -from pytorch_lightning.utilities import rank_zero_only -import numpy as np -import os -import pandas as pd - -from lightning.pytorch.loggers import MLFlowLogger -from gridfm_graphkit.io.param_handler import load_model, get_loss_function -import torch.nn.functional as F -from gridfm_graphkit.datasets.globals import PQ, PV, REF, PD, QD, PG, QG, VM, VA - - -class FeatureReconstructionTask(L.LightningModule): - """ - PyTorch Lightning task for node feature reconstruction on power grid graphs. - - This task wraps a GridFM model inside a LightningModule and defines the full - training, validation, testing, and prediction logic. It is designed to - reconstruct masked node features from graph-structured input data, using - datasets and normalizers provided by `gridfm-graphkit`. - - Args: - args (NestedNamespace): Experiment configuration. Expected fields include `training.batch_size`, `optimizer.*`, etc. - node_normalizers (list): One normalizer per dataset to (de)normalize node features. - edge_normalizers (list): One normalizer per dataset to (de)normalize edge features. - - Attributes: - model (torch.nn.Module): model loaded via `load_model`. - loss_fn (callable): Loss function resolved from configuration. - batch_size (int): Training batch size. From ``args.training.batch_size`` - node_normalizers (list): Dataset-wise node feature normalizers. - edge_normalizers (list): Dataset-wise edge feature normalizers. - - Methods: - forward(x, pe, edge_index, edge_attr, batch, mask=None): - Forward pass with optional feature masking. - training_step(batch): - One training step: computes loss, logs metrics, returns loss. - validation_step(batch, batch_idx): - One validation step: computes losses and logs metrics. - test_step(batch, batch_idx, dataloader_idx=0): - Evaluate on test data, compute per-node-type MSEs, and log per-dataset metrics. - predict_step(batch, batch_idx, dataloader_idx=0): - Run inference and return denormalized outputs + node masks. - configure_optimizers(): - Setup Adam optimizer and ReduceLROnPlateau scheduler. - on_fit_start(): - Save normalization statistics at the beginning of training. - on_test_end(): - Collect test metrics across datasets and export summary CSV reports. - - Notes: - - Node types are distinguished using the global constants (`PQ`, `PV`, `REF`). - - The datamodule must provide `batch.mask` for masking node features. - - Test metrics include per-node-type RMSE for [Pd, Qd, Pg, Qg, Vm, Va]. - - Reports are saved under `/test/.csv`. - - Example: - ```python - model = FeatureReconstructionTask(args, node_normalizers, edge_normalizers) - output = model(batch.x, batch.pe, batch.edge_index, batch.edge_attr, batch.batch) - ``` - """ - - def __init__(self, args, node_normalizers, edge_normalizers): - super().__init__() - self.model = load_model(args=args) - self.args = args - self.loss_fn = get_loss_function(args) - self.batch_size = int(args.training.batch_size) - self.node_normalizers = node_normalizers - self.edge_normalizers = edge_normalizers - self.save_hyperparameters() - - def forward(self, x, pe, edge_index, edge_attr, batch, mask=None): - if mask is not None: - mask_value_expanded = self.model.mask_value.expand(x.shape[0], -1) - x[:, : mask.shape[1]][mask] = mask_value_expanded[mask] - return self.model(x, pe, edge_index, edge_attr, batch) - - @rank_zero_only - def on_fit_start(self): - # Determine save path - if isinstance(self.logger, MLFlowLogger): - log_dir = os.path.join( - self.logger.save_dir, - self.logger.experiment_id, - self.logger.run_id, - "artifacts", - "stats", - ) - else: - log_dir = os.path.join(self.logger.save_dir, "stats") - - os.makedirs(log_dir, exist_ok=True) - log_stats_path = os.path.join(log_dir, "normalization_stats.txt") - - # Collect normalization stats - with open(log_stats_path, "w") as log_file: - for i, normalizer in enumerate(self.node_normalizers): - log_file.write( - f"Node Normalizer {self.args.data.networks[i]} stats:\n{normalizer.get_stats()}\n\n", - ) - - for i, normalizer in enumerate(self.edge_normalizers): - log_file.write( - f"Edge Normalizer {self.args.data.networks[i]} stats:\n{normalizer.get_stats()}\n\n", - ) - - def shared_step(self, batch): - output = self.forward( - x=batch.x, - pe=batch.pe, - edge_index=batch.edge_index, - edge_attr=batch.edge_attr, - batch=batch.batch, - mask=batch.mask, - ) - - loss_dict = self.loss_fn( - output, - batch.y, - batch.edge_index, - batch.edge_attr, - batch.mask, - ) - return output, loss_dict - - def training_step(self, batch): - _, loss_dict = self.shared_step(batch) - current_lr = self.optimizer.param_groups[0]["lr"] - metrics = {} - metrics["Training Loss"] = loss_dict["loss"].detach() - metrics["Learning Rate"] = current_lr - for metric, value in metrics.items(): - self.log( - metric, - value, - batch_size=batch.num_graphs, - sync_dist=True, - on_epoch=True, - prog_bar=True, - logger=True, - on_step=False, - ) - - return loss_dict["loss"] - - def validation_step(self, batch, batch_idx): - _, loss_dict = self.shared_step(batch) - loss_dict["loss"] = loss_dict["loss"].detach() - for metric, value in loss_dict.items(): - metric_name = f"Validation {metric}" - self.log( - metric_name, - value, - batch_size=batch.num_graphs, - sync_dist=True, - on_epoch=True, - prog_bar=True, - logger=True, - on_step=False, - ) - - return loss_dict["loss"] - - def test_step(self, batch, batch_idx, dataloader_idx=0): - output, loss_dict = self.shared_step(batch) - - dataset_name = self.args.data.networks[dataloader_idx] - - output_denorm = self.node_normalizers[dataloader_idx].inverse_transform(output) - target_denorm = self.node_normalizers[dataloader_idx].inverse_transform(batch.y) - - mask_PQ = batch.x[:, PQ] == 1 - mask_PV = batch.x[:, PV] == 1 - mask_REF = batch.x[:, REF] == 1 - - mse_PQ = F.mse_loss( - output_denorm[mask_PQ], - target_denorm[mask_PQ], - reduction="none", - ) - mse_PV = F.mse_loss( - output_denorm[mask_PV], - target_denorm[mask_PV], - reduction="none", - ) - mse_REF = F.mse_loss( - output_denorm[mask_REF], - target_denorm[mask_REF], - reduction="none", - ) - - mse_PQ = mse_PQ.mean(dim=0) - mse_PV = mse_PV.mean(dim=0) - mse_REF = mse_REF.mean(dim=0) - - loss_dict["MSE PQ nodes - PD"] = mse_PQ[PD] - loss_dict["MSE PV nodes - PD"] = mse_PV[PD] - loss_dict["MSE REF nodes - PD"] = mse_REF[PD] - - loss_dict["MSE PQ nodes - QD"] = mse_PQ[QD] - loss_dict["MSE PV nodes - QD"] = mse_PV[QD] - loss_dict["MSE REF nodes - QD"] = mse_REF[QD] - - loss_dict["MSE PQ nodes - PG"] = mse_PQ[PG] - loss_dict["MSE PV nodes - PG"] = mse_PV[PG] - loss_dict["MSE REF nodes - PG"] = mse_REF[PG] - - loss_dict["MSE PQ nodes - QG"] = mse_PQ[QG] - loss_dict["MSE PV nodes - QG"] = mse_PV[QG] - loss_dict["MSE REF nodes - QG"] = mse_REF[QG] - - loss_dict["MSE PQ nodes - VM"] = mse_PQ[VM] - loss_dict["MSE PV nodes - VM"] = mse_PV[VM] - loss_dict["MSE REF nodes - VM"] = mse_REF[VM] - - loss_dict["MSE PQ nodes - VA"] = mse_PQ[VA] - loss_dict["MSE PV nodes - VA"] = mse_PV[VA] - loss_dict["MSE REF nodes - VA"] = mse_REF[VA] - - loss_dict["Test loss"] = loss_dict.pop("loss").detach() - for metric, value in loss_dict.items(): - metric_name = f"{dataset_name}/{metric}" - if "p.u." in metric: - # Denormalize metrics expressed in p.u. - value *= self.node_normalizers[dataloader_idx].baseMVA - metric_name = metric_name.replace("in p.u.", "").strip() - self.log( - metric_name, - value, - batch_size=batch.num_graphs, - add_dataloader_idx=False, - sync_dist=True, - logger=False, - ) - return - - def predict_step(self, batch, batch_idx, dataloader_idx=0): - output, _ = self.shared_step(batch) - output_denorm = self.node_normalizers[dataloader_idx].inverse_transform(output) - - # Count buses and generate per-node scenario_id - bus_counts = batch.batch.unique(return_counts=True)[1] - scenario_ids = batch.scenario_id # shape: [num_graphs] - scenario_per_node = torch.cat( - [ - torch.full((count,), sid, dtype=torch.int32) - for count, sid in zip(bus_counts, scenario_ids) - ], - ) - - bus_numbers = np.concatenate([np.arange(count.item()) for count in bus_counts]) - - return { - "output": output_denorm.cpu().numpy(), - "scenario_id": scenario_per_node, - "bus_number": bus_numbers, - } - - @rank_zero_only - def on_test_end(self): - if isinstance(self.logger, MLFlowLogger): - artifact_dir = os.path.join( - self.logger.save_dir, - self.logger.experiment_id, - self.logger.run_id, - "artifacts", - ) - else: - artifact_dir = self.logger.save_dir - - final_metrics = self.trainer.callback_metrics - grouped_metrics = {} - - for full_key, value in final_metrics.items(): - try: - value = value.item() - except AttributeError: - pass - - if "/" in full_key: - dataset_name, metric = full_key.split("/", 1) - if dataset_name not in grouped_metrics: - grouped_metrics[dataset_name] = {} - grouped_metrics[dataset_name][metric] = value - - for dataset, metrics in grouped_metrics.items(): - rmse_PQ = [ - metrics.get(f"MSE PQ nodes - {label}", float("nan")) ** 0.5 - for label in ["PD", "QD", "PG", "QG", "VM", "VA"] - ] - rmse_PV = [ - metrics.get(f"MSE PV nodes - {label}", float("nan")) ** 0.5 - for label in ["PD", "QD", "PG", "QG", "VM", "VA"] - ] - rmse_REF = [ - metrics.get(f"MSE REF nodes - {label}", float("nan")) ** 0.5 - for label in ["PD", "QD", "PG", "QG", "VM", "VA"] - ] - - avg_active_res = metrics.get("Active Power Loss", " ") - avg_reactive_res = metrics.get("Reactive Power Loss", " ") - - data = { - "Metric": [ - "RMSE-PQ", - "RMSE-PV", - "RMSE-REF", - "Avg. active res. (MW)", - "Avg. reactive res. (MVar)", - ], - "Pd (MW)": [ - rmse_PQ[0], - rmse_PV[0], - rmse_REF[0], - avg_active_res, - avg_reactive_res, - ], - "Qd (MVar)": [rmse_PQ[1], rmse_PV[1], rmse_REF[1], " ", " "], - "Pg (MW)": [rmse_PQ[2], rmse_PV[2], rmse_REF[2], " ", " "], - "Qg (MVar)": [rmse_PQ[3], rmse_PV[3], rmse_REF[3], " ", " "], - "Vm (p.u.)": [rmse_PQ[4], rmse_PV[4], rmse_REF[4], " ", " "], - "Va (degree)": [rmse_PQ[5], rmse_PV[5], rmse_REF[5], " ", " "], - } - - df = pd.DataFrame(data) - - test_dir = os.path.join(artifact_dir, "test") - os.makedirs(test_dir, exist_ok=True) - csv_path = os.path.join(test_dir, f"{dataset}.csv") - df.to_csv(csv_path, index=False) - - def configure_optimizers(self): - self.optimizer = torch.optim.Adam( - self.model.parameters(), - lr=self.args.optimizer.learning_rate, - betas=(self.args.optimizer.beta1, self.args.optimizer.beta2), - ) - - self.scheduler = ReduceLROnPlateau( - self.optimizer, - mode="min", - factor=self.args.optimizer.lr_decay, - patience=self.args.optimizer.lr_patience, - ) - config_optim = { - "optimizer": self.optimizer, - "lr_scheduler": { - "scheduler": self.scheduler, - "monitor": "Validation loss", - "reduce_on_plateau": True, - }, - } - return config_optim diff --git a/gridfm_graphkit/tasks/opf_task.py b/gridfm_graphkit/tasks/opf_task.py new file mode 100644 index 0000000..47255fb --- /dev/null +++ b/gridfm_graphkit/tasks/opf_task.py @@ -0,0 +1,485 @@ +from gridfm_graphkit.datasets.globals import ( + # Bus feature indices + QG_H, + VM_H, + VA_H, + MIN_QG_H, + MAX_QG_H, + # Output feature indices + VM_OUT, + VA_OUT, + PG_OUT, + QG_OUT, + # Generator feature indices + PG_H, + C0_H, + C1_H, + C2_H, + # Edge feature indices + ANG_MIN, + ANG_MAX, + RATE_A, +) + +from gridfm_graphkit.tasks.reconstruction_tasks import ReconstructionTask +from gridfm_graphkit.io.registries import TASK_REGISTRY +from gridfm_graphkit.tasks.utils import ( + plot_correlation_by_node_type, + plot_residuals_histograms, + residual_stats_by_type, +) +from pytorch_lightning.utilities import rank_zero_only +import torch +import torch.nn.functional as F +from torch_scatter import scatter_add +from gridfm_graphkit.models.utils import ( + ComputeBranchFlow, + ComputeNodeInjection, + ComputeNodeResiduals, +) +import matplotlib.pyplot as plt +import seaborn as sns +from lightning.pytorch.loggers import MLFlowLogger +import numpy as np +import os +import pandas as pd + + +@TASK_REGISTRY.register("OptimalPowerFlow") +class OptimalPowerFlowTask(ReconstructionTask): + """ + Concrete Optimal Power Flow task. + Extends ReconstructionTask and adds OPF-specific metrics. + """ + + def __init__(self, args, data_normalizers): + super().__init__(args, data_normalizers) + + def test_step(self, batch, batch_idx, dataloader_idx=0): + output, loss_dict = self.shared_step(batch) + dataset_name = self.args.data.networks[dataloader_idx] + + self.data_normalizers[dataloader_idx].inverse_transform(batch) + self.data_normalizers[dataloader_idx].inverse_output(output) + + branch_flow_layer = ComputeBranchFlow() + node_injection_layer = ComputeNodeInjection() + node_residuals_layer = ComputeNodeResiduals() + + num_bus = batch.x_dict["bus"].size(0) + bus_edge_index = batch.edge_index_dict[("bus", "connects", "bus")] + bus_edge_attr = batch.edge_attr_dict[("bus", "connects", "bus")] + _, gen_to_bus_index = batch.edge_index_dict[("gen", "connected_to", "bus")] + + mse_PG = F.mse_loss( + output["gen"], + batch.y_dict["gen"], + reduction="none", + ).mean(dim=0) + c0 = batch.x_dict["gen"][:, C0_H] + c1 = batch.x_dict["gen"][:, C1_H] + c2 = batch.x_dict["gen"][:, C2_H] + target_pg = batch.y_dict["gen"].squeeze() + pred_pg = output["gen"].squeeze() + gen_cost_gt = c0 + c1 * target_pg + c2 * target_pg**2 + gen_cost_pred = c0 + c1 * pred_pg + c2 * pred_pg**2 + + gen_batch = batch.batch_dict["gen"] # shape: [N_gen_total] + + cost_gt = scatter_add(gen_cost_gt, gen_batch, dim=0) + cost_pred = scatter_add(gen_cost_pred, gen_batch, dim=0) + + optimality_gap = torch.mean(torch.abs((cost_pred - cost_gt) / cost_gt * 100)) + + agg_gen_on_bus = scatter_add( + batch.y_dict["gen"], + gen_to_bus_index, + dim=0, + dim_size=num_bus, + ) + # output_agg = torch.cat([batch.y_dict["bus"], agg_gen_on_bus], dim=1) + target = torch.stack( + [ + batch.y_dict["bus"][:, VM_H], + batch.y_dict["bus"][:, VA_H], + agg_gen_on_bus.squeeze(), + batch.y_dict["bus"][:, QG_H], + ], + dim=1, + ) + + # UN-COMMENT THIS TO CHECK PBE ON GROUND TRUTH + # output["bus"] = target + + Pft, Qft = branch_flow_layer(output["bus"], bus_edge_index, bus_edge_attr) + # Compute branch termal limits violations + Sft = torch.sqrt(Pft**2 + Qft**2) # apparent power flow per branch + branch_thermal_limits = bus_edge_attr[:, RATE_A] + branch_thermal_excess = F.relu(Sft - branch_thermal_limits) + + num_edges = bus_edge_index.size(1) + half_edges = num_edges // 2 + forward_excess = branch_thermal_excess[:half_edges] + reverse_excess = branch_thermal_excess[half_edges:] + + mean_thermal_violation_forward = torch.mean(forward_excess) + mean_thermal_violation_reverse = torch.mean(reverse_excess) + + # Compute branch angle difference violation + angle_min = bus_edge_attr[:, ANG_MIN] + angle_max = bus_edge_attr[:, ANG_MAX] + + bus_angles = output["bus"][:, VA_OUT] # in degrees + from_bus = bus_edge_index[0] + to_bus = bus_edge_index[1] + angle_diff = torch.abs(bus_angles[from_bus] - bus_angles[to_bus]) + + angle_excess_low = F.relu(angle_min - angle_diff) # violation if too small + angle_excess_high = F.relu(angle_diff - angle_max) # violation if too large + branch_angle_violation_mean = ( + torch.mean(angle_excess_low + angle_excess_high) * 180.0 / torch.pi + ) + + P_in, Q_in = node_injection_layer(Pft, Qft, bus_edge_index, num_bus) + residual_P, residual_Q = node_residuals_layer( + P_in, + Q_in, + output["bus"], + batch.x_dict["bus"], + ) + + # --- Qg limit violation mask --- + Qg_pred = output["bus"][:, QG_OUT] + Qg_max = batch.x_dict["bus"][:, MAX_QG_H] + Qg_min = batch.x_dict["bus"][:, MIN_QG_H] + + mask_Qg_violation = (Qg_pred > Qg_max) | (Qg_pred < Qg_min) + + bus_batch = batch.batch_dict["bus"] # shape: [num_bus_total] + + mask_PQ = batch.mask_dict["PQ"] # PQ buses + mask_PV = batch.mask_dict["PV"] # PV buses + mask_REF = batch.mask_dict["REF"] # Reference buses + + Qg_over = F.relu(Qg_pred - Qg_max) # amount above max limit + Qg_under = F.relu(Qg_min - Qg_pred) # amount below min limit + Qg_violation_amount = Qg_over + Qg_under + + mean_Qg_violation_PV = Qg_violation_amount[mask_PV].mean() + mean_Qg_violation_REF = Qg_violation_amount[mask_REF].mean() + + if self.args.verbose: + mean_res_P_PQ, max_res_P_PQ = residual_stats_by_type( + residual_P, + mask_PQ, + bus_batch, + ) + mean_res_Q_PQ, max_res_Q_PQ = residual_stats_by_type( + residual_Q, + mask_PQ, + bus_batch, + ) + + mean_res_P_PV, max_res_P_PV = residual_stats_by_type( + residual_P, + mask_PV, + bus_batch, + ) + mean_res_Q_PV, max_res_Q_PV = residual_stats_by_type( + residual_Q, + mask_PV, + bus_batch, + ) + + mean_res_P_REF, max_res_P_REF = residual_stats_by_type( + residual_P, + mask_REF, + bus_batch, + ) + mean_res_Q_REF, max_res_Q_REF = residual_stats_by_type( + residual_Q, + mask_REF, + bus_batch, + ) + self.test_outputs[dataloader_idx].append( + { + "dataset": dataset_name, + "pred": output["bus"].detach().cpu(), + "target": target.detach().cpu(), + "mask_PQ": mask_PQ.cpu(), + "mask_PV": mask_PV.cpu(), + "mask_REF": mask_REF.cpu(), + "cost_predicted": cost_pred.detach().cpu(), + "cost_ground_truth": cost_gt.detach().cpu(), + "mean_residual_P_PQ": mean_res_P_PQ.detach().cpu(), + "max_residual_P_PQ": max_res_P_PQ.detach().cpu(), + "mean_residual_Q_PQ": mean_res_Q_PQ.detach().cpu(), + "max_residual_Q_PQ": max_res_Q_PQ.detach().cpu(), + "mean_residual_P_PV": mean_res_P_PV.detach().cpu(), + "max_residual_P_PV": max_res_P_PV.detach().cpu(), + "mean_residual_Q_PV": mean_res_Q_PV.detach().cpu(), + "max_residual_Q_PV": max_res_Q_PV.detach().cpu(), + "mean_residual_P_REF": mean_res_P_REF.detach().cpu(), + "max_residual_P_REF": max_res_P_REF.detach().cpu(), + "mean_residual_Q_REF": mean_res_Q_REF.detach().cpu(), + "max_residual_Q_REF": max_res_Q_REF.detach().cpu(), + "mask_Qg_violation": mask_Qg_violation.detach().cpu(), + }, + ) + + final_residual_real_bus = torch.mean(torch.abs(residual_P)) + final_residual_imag_bus = torch.mean(torch.abs(residual_Q)) + + loss_dict["Active Power Loss"] = final_residual_real_bus.detach() + loss_dict["Reactive Power Loss"] = final_residual_imag_bus.detach() + + mse_PQ = F.mse_loss( + output["bus"][mask_PQ], + target[mask_PQ], + reduction="none", + ) + mse_PV = F.mse_loss( + output["bus"][mask_PV], + target[mask_PV], + reduction="none", + ) + mse_REF = F.mse_loss( + output["bus"][mask_REF], + target[mask_REF], + reduction="none", + ) + + mse_PQ = mse_PQ.mean(dim=0) + mse_PV = mse_PV.mean(dim=0) + mse_REF = mse_REF.mean(dim=0) + + loss_dict["Opt gap"] = optimality_gap + loss_dict["MSE PG"] = mse_PG[PG_H] + + loss_dict["Branch termal violation from"] = mean_thermal_violation_forward + loss_dict["Branch termal violation to"] = mean_thermal_violation_reverse + loss_dict["Branch voltage angle difference violations"] = ( + branch_angle_violation_mean + ) + loss_dict["Mean Qg violation PV buses"] = mean_Qg_violation_PV + loss_dict["Mean Qg violation REF buses"] = mean_Qg_violation_REF + + loss_dict["MSE PQ nodes - PG"] = mse_PQ[PG_OUT] + loss_dict["MSE PV nodes - PG"] = mse_PV[PG_OUT] + loss_dict["MSE REF nodes - PG"] = mse_REF[PG_OUT] + + loss_dict["MSE PQ nodes - QG"] = mse_PQ[QG_OUT] + loss_dict["MSE PV nodes - QG"] = mse_PV[QG_OUT] + loss_dict["MSE REF nodes - QG"] = mse_REF[QG_OUT] + + loss_dict["MSE PQ nodes - VM"] = mse_PQ[VM_OUT] + loss_dict["MSE PV nodes - VM"] = mse_PV[VM_OUT] + loss_dict["MSE REF nodes - VM"] = mse_REF[VM_OUT] + + loss_dict["MSE PQ nodes - VA"] = mse_PQ[VA_OUT] + loss_dict["MSE PV nodes - VA"] = mse_PV[VA_OUT] + loss_dict["MSE REF nodes - VA"] = mse_REF[VA_OUT] + + loss_dict["Test loss"] = loss_dict.pop("loss").detach() + for metric, value in loss_dict.items(): + metric_name = f"{dataset_name}/{metric}" + self.log( + metric_name, + value, + batch_size=batch.num_graphs, + add_dataloader_idx=False, + sync_dist=True, + logger=False, + ) + return + + @rank_zero_only + def on_test_end(self): + if isinstance(self.logger, MLFlowLogger): + artifact_dir = os.path.join( + self.logger.save_dir, + self.logger.experiment_id, + self.logger.run_id, + "artifacts", + ) + else: + artifact_dir = self.logger.save_dir + + final_metrics = self.trainer.callback_metrics + grouped_metrics = {} + + for full_key, value in final_metrics.items(): + try: + value = value.item() + except AttributeError: + pass + + if "/" in full_key: + dataset_name, metric = full_key.split("/", 1) + if dataset_name not in grouped_metrics: + grouped_metrics[dataset_name] = {} + grouped_metrics[dataset_name][metric] = value + + for dataset, metrics in grouped_metrics.items(): + # RMSE metrics + rmse_PQ = [ + metrics.get(f"MSE PQ nodes - {label}", float("nan")) ** 0.5 + for label in ["PG", "QG", "VM", "VA"] + ] + rmse_PV = [ + metrics.get(f"MSE PV nodes - {label}", float("nan")) ** 0.5 + for label in ["PG", "QG", "VM", "VA"] + ] + rmse_REF = [ + metrics.get(f"MSE REF nodes - {label}", float("nan")) ** 0.5 + for label in ["PG", "QG", "VM", "VA"] + ] + + # Residuals and generator metrics + avg_active_res = metrics.get("Active Power Loss", " ") + avg_reactive_res = metrics.get("Reactive Power Loss", " ") + rmse_gen = metrics.get("MSE PG", 0) ** 0.5 + optimality_gap = metrics.get("Opt gap", " ") + branch_thermal_violation_from = metrics.get( + "Branch termal violation from", + " ", + ) + branch_thermal_violation_to = metrics.get("Branch termal violation to", " ") + branch_angle_violation = metrics.get( + "Branch voltage angle difference violations", + " ", + ) + mean_qg_violation_PV_buses = metrics.get("Mean Qg violation PV buses", " ") + mean_qg_violation_REF_buses = metrics.get( + "Mean Qg violation REF buses", + " ", + ) + + # --- Main RMSE metrics file --- + data_main = { + "Metric": ["RMSE-PQ", "RMSE-PV", "RMSE-REF"], + "Pg (MW)": [rmse_PQ[0], rmse_PV[0], rmse_REF[0]], + "Qg (MVar)": [rmse_PQ[1], rmse_PV[1], rmse_REF[1]], + "Vm (p.u.)": [rmse_PQ[2], rmse_PV[2], rmse_REF[2]], + "Va (radians)": [rmse_PQ[3], rmse_PV[3], rmse_REF[3]], + } + df_main = pd.DataFrame(data_main) + + # --- Residuals / generator metrics file --- + data_residuals = { + "Metric": [ + "Avg. active res. (MW)", + "Avg. reactive res. (MVar)", + "RMSE PG generators (MW)", + "Mean optimality gap (%)", + "Mean branch termal violation from (MVA)", + "Mean branch termal violation to (MVA)", + "Mean branch angle difference violation (radians)", + "Mean Qg violation PV buses", + "Mean Qg violation REF buses", + ], + "Value": [ + avg_active_res, + avg_reactive_res, + rmse_gen, + optimality_gap, + branch_thermal_violation_from, + branch_thermal_violation_to, + branch_angle_violation, + mean_qg_violation_PV_buses, + mean_qg_violation_REF_buses, + ], + } + df_residuals = pd.DataFrame(data_residuals) + + # --- Save CSVs --- + test_dir = os.path.join(artifact_dir, "test") + os.makedirs(test_dir, exist_ok=True) + + main_csv_path = os.path.join(test_dir, f"{dataset}_RMSE.csv") + residuals_csv_path = os.path.join(test_dir, f"{dataset}_metrics.csv") + + df_main.to_csv(main_csv_path, index=False) + df_residuals.to_csv(residuals_csv_path, index=False) + + if self.args.verbose: + for dataset_idx, outputs in self.test_outputs.items(): + dataset_name = self.args.data.networks[dataset_idx] + + plot_dir = os.path.join(artifact_dir, "test_plots", dataset_name) + os.makedirs(plot_dir, exist_ok=True) + + # Concatenate predictions and targets across all batches + all_preds = torch.cat([d["pred"] for d in outputs]) + all_targets = torch.cat([d["target"] for d in outputs]) + all_masks = { + "PQ": torch.cat([d["mask_PQ"] for d in outputs]), + "PV": torch.cat([d["mask_PV"] for d in outputs]), + "REF": torch.cat([d["mask_REF"] for d in outputs]), + } + all_cost_pred = torch.cat([d["cost_predicted"] for d in outputs]) + all_cost_ground_truth = torch.cat( + [d["cost_ground_truth"] for d in outputs], + ) + + # Convert to numpy for plotting + y_pred = all_cost_pred.numpy() + y_true = all_cost_ground_truth.numpy() + + # Compute correlation coefficient + corr = np.corrcoef(y_true, y_pred)[0, 1] + + # Create scatter plot + plt.figure(figsize=(6, 6)) + sns.scatterplot(x=y_true, y=y_pred, s=20, alpha=0.6) + + # Add y=x reference line + min_val = min(y_true.min(), y_pred.min()) + max_val = max(y_true.max(), y_pred.max()) + plt.plot( + [min_val, max_val], + [min_val, max_val], + "k--", + linewidth=1.0, + alpha=0.7, + ) + + # Add correlation coefficient text + plt.text( + 0.05, + 0.95, + f"R = {corr:.3f}", + transform=plt.gca().transAxes, + fontsize=12, + verticalalignment="top", + bbox=dict(facecolor="white", alpha=0.6), + ) + + plt.xlabel("Ground Truth Cost") + plt.ylabel("Predicted Cost") + plt.title(f"{dataset_name} – Predicted vs Ground Truth Cost") + plt.tight_layout() + plt.savefig( + os.path.join(plot_dir, f"{dataset_name}_objective.png"), + dpi=300, + ) + plt.close() + + plot_residuals_histograms(outputs, dataset_name, plot_dir) + + plot_correlation_by_node_type( + preds=all_preds, + targets=all_targets, + masks=all_masks, + feature_labels=["Vm", "Va", "Pg", "Qg"], + plot_dir=plot_dir, + prefix=dataset_name, + qg_violation_mask=torch.cat( + [d["mask_Qg_violation"] for d in outputs], + ), + ) + + self.test_outputs.clear() + + def predict_step(self, batch, batch_idx, dataloader_idx=0): + raise NotImplementedError diff --git a/gridfm_graphkit/tasks/pf_task.py b/gridfm_graphkit/tasks/pf_task.py new file mode 100644 index 0000000..7f13050 --- /dev/null +++ b/gridfm_graphkit/tasks/pf_task.py @@ -0,0 +1,312 @@ +from gridfm_graphkit.datasets.globals import ( + # Bus feature indices + QG_H, + VM_H, + VA_H, + # Output feature indices + VM_OUT, + VA_OUT, + PG_OUT, + QG_OUT, +) + +from gridfm_graphkit.tasks.reconstruction_tasks import ReconstructionTask +from gridfm_graphkit.io.registries import TASK_REGISTRY +from gridfm_graphkit.tasks.utils import ( + plot_correlation_by_node_type, + plot_residuals_histograms, + residual_stats_by_type, +) +from pytorch_lightning.utilities import rank_zero_only +import torch +import torch.nn.functional as F +from torch_scatter import scatter_add +from gridfm_graphkit.models.utils import ( + ComputeBranchFlow, + ComputeNodeInjection, + ComputeNodeResiduals, +) +from lightning.pytorch.loggers import MLFlowLogger +import os +import pandas as pd + + +@TASK_REGISTRY.register("PowerFlow") +class PowerFlowTask(ReconstructionTask): + """ + Concrete Optimal Power Flow task. + Extends ReconstructionTask and adds OPF-specific metrics. + """ + + def __init__(self, args, data_normalizers): + super().__init__(args, data_normalizers) + + def test_step(self, batch, batch_idx, dataloader_idx=0): + output, loss_dict = self.shared_step(batch) + dataset_name = self.args.data.networks[dataloader_idx] + + self.data_normalizers[dataloader_idx].inverse_transform(batch) + self.data_normalizers[dataloader_idx].inverse_output(output) + + branch_flow_layer = ComputeBranchFlow() + node_injection_layer = ComputeNodeInjection() + node_residuals_layer = ComputeNodeResiduals() + + num_bus = batch.x_dict["bus"].size(0) + bus_edge_index = batch.edge_index_dict[("bus", "connects", "bus")] + bus_edge_attr = batch.edge_attr_dict[("bus", "connects", "bus")] + _, gen_to_bus_index = batch.edge_index_dict[("gen", "connected_to", "bus")] + + agg_gen_on_bus = scatter_add( + batch.y_dict["gen"], + gen_to_bus_index, + dim=0, + dim_size=num_bus, + ) + # output_agg = torch.cat([batch.y_dict["bus"], agg_gen_on_bus], dim=1) + target = torch.stack( + [ + batch.y_dict["bus"][:, VM_H], + batch.y_dict["bus"][:, VA_H], + agg_gen_on_bus.squeeze(), + batch.y_dict["bus"][:, QG_H], + ], + dim=1, + ) + + # UN-COMMENT THIS TO CHECK PBE ON GROUND TRUTH + # output["bus"] = target + + Pft, Qft = branch_flow_layer(output["bus"], bus_edge_index, bus_edge_attr) + P_in, Q_in = node_injection_layer(Pft, Qft, bus_edge_index, num_bus) + residual_P, residual_Q = node_residuals_layer( + P_in, + Q_in, + output["bus"], + batch.x_dict["bus"], + ) + + bus_batch = batch.batch_dict["bus"] # shape: [num_bus_total] + + mask_PQ = batch.mask_dict["PQ"] # PQ buses + mask_PV = batch.mask_dict["PV"] # PV buses + mask_REF = batch.mask_dict["REF"] # Reference buses + + if self.args.verbose: + mean_res_P_PQ, max_res_P_PQ = residual_stats_by_type( + residual_P, + mask_PQ, + bus_batch, + ) + mean_res_Q_PQ, max_res_Q_PQ = residual_stats_by_type( + residual_Q, + mask_PQ, + bus_batch, + ) + + mean_res_P_PV, max_res_P_PV = residual_stats_by_type( + residual_P, + mask_PV, + bus_batch, + ) + mean_res_Q_PV, max_res_Q_PV = residual_stats_by_type( + residual_Q, + mask_PV, + bus_batch, + ) + + mean_res_P_REF, max_res_P_REF = residual_stats_by_type( + residual_P, + mask_REF, + bus_batch, + ) + mean_res_Q_REF, max_res_Q_REF = residual_stats_by_type( + residual_Q, + mask_REF, + bus_batch, + ) + self.test_outputs[dataloader_idx].append( + { + "dataset": dataset_name, + "pred": output["bus"].detach().cpu(), + "target": target.detach().cpu(), + "mask_PQ": mask_PQ.cpu(), + "mask_PV": mask_PV.cpu(), + "mask_REF": mask_REF.cpu(), + "mean_residual_P_PQ": mean_res_P_PQ.detach().cpu(), + "max_residual_P_PQ": max_res_P_PQ.detach().cpu(), + "mean_residual_Q_PQ": mean_res_Q_PQ.detach().cpu(), + "max_residual_Q_PQ": max_res_Q_PQ.detach().cpu(), + "mean_residual_P_PV": mean_res_P_PV.detach().cpu(), + "max_residual_P_PV": max_res_P_PV.detach().cpu(), + "mean_residual_Q_PV": mean_res_Q_PV.detach().cpu(), + "max_residual_Q_PV": max_res_Q_PV.detach().cpu(), + "mean_residual_P_REF": mean_res_P_REF.detach().cpu(), + "max_residual_P_REF": max_res_P_REF.detach().cpu(), + "mean_residual_Q_REF": mean_res_Q_REF.detach().cpu(), + "max_residual_Q_REF": max_res_Q_REF.detach().cpu(), + }, + ) + + final_residual_real_bus = torch.mean(torch.abs(residual_P)) + final_residual_imag_bus = torch.mean(torch.abs(residual_Q)) + + loss_dict["Active Power Loss"] = final_residual_real_bus.detach() + loss_dict["Reactive Power Loss"] = final_residual_imag_bus.detach() + + mse_PQ = F.mse_loss( + output["bus"][mask_PQ], + target[mask_PQ], + reduction="none", + ) + mse_PV = F.mse_loss( + output["bus"][mask_PV], + target[mask_PV], + reduction="none", + ) + mse_REF = F.mse_loss( + output["bus"][mask_REF], + target[mask_REF], + reduction="none", + ) + + mse_PQ = mse_PQ.mean(dim=0) + mse_PV = mse_PV.mean(dim=0) + mse_REF = mse_REF.mean(dim=0) + + loss_dict["MSE PQ nodes - PG"] = mse_PQ[PG_OUT] + loss_dict["MSE PV nodes - PG"] = mse_PV[PG_OUT] + loss_dict["MSE REF nodes - PG"] = mse_REF[PG_OUT] + + loss_dict["MSE PQ nodes - QG"] = mse_PQ[QG_OUT] + loss_dict["MSE PV nodes - QG"] = mse_PV[QG_OUT] + loss_dict["MSE REF nodes - QG"] = mse_REF[QG_OUT] + + loss_dict["MSE PQ nodes - VM"] = mse_PQ[VM_OUT] + loss_dict["MSE PV nodes - VM"] = mse_PV[VM_OUT] + loss_dict["MSE REF nodes - VM"] = mse_REF[VM_OUT] + + loss_dict["MSE PQ nodes - VA"] = mse_PQ[VA_OUT] + loss_dict["MSE PV nodes - VA"] = mse_PV[VA_OUT] + loss_dict["MSE REF nodes - VA"] = mse_REF[VA_OUT] + + loss_dict["Test loss"] = loss_dict.pop("loss").detach() + for metric, value in loss_dict.items(): + metric_name = f"{dataset_name}/{metric}" + self.log( + metric_name, + value, + batch_size=batch.num_graphs, + add_dataloader_idx=False, + sync_dist=True, + logger=False, + ) + return + + @rank_zero_only + def on_test_end(self): + if isinstance(self.logger, MLFlowLogger): + artifact_dir = os.path.join( + self.logger.save_dir, + self.logger.experiment_id, + self.logger.run_id, + "artifacts", + ) + else: + artifact_dir = self.logger.save_dir + + final_metrics = self.trainer.callback_metrics + grouped_metrics = {} + + for full_key, value in final_metrics.items(): + try: + value = value.item() + except AttributeError: + pass + + if "/" in full_key: + dataset_name, metric = full_key.split("/", 1) + if dataset_name not in grouped_metrics: + grouped_metrics[dataset_name] = {} + grouped_metrics[dataset_name][metric] = value + + for dataset, metrics in grouped_metrics.items(): + # RMSE metrics + rmse_PQ = [ + metrics.get(f"MSE PQ nodes - {label}", float("nan")) ** 0.5 + for label in ["PG", "QG", "VM", "VA"] + ] + rmse_PV = [ + metrics.get(f"MSE PV nodes - {label}", float("nan")) ** 0.5 + for label in ["PG", "QG", "VM", "VA"] + ] + rmse_REF = [ + metrics.get(f"MSE REF nodes - {label}", float("nan")) ** 0.5 + for label in ["PG", "QG", "VM", "VA"] + ] + + # Residuals and generator metrics + avg_active_res = metrics.get("Active Power Loss", " ") + avg_reactive_res = metrics.get("Reactive Power Loss", " ") + + # --- Main RMSE metrics file --- + data_main = { + "Metric": ["RMSE-PQ", "RMSE-PV", "RMSE-REF"], + "Pg (MW)": [rmse_PQ[0], rmse_PV[0], rmse_REF[0]], + "Qg (MVar)": [rmse_PQ[1], rmse_PV[1], rmse_REF[1]], + "Vm (p.u.)": [rmse_PQ[2], rmse_PV[2], rmse_REF[2]], + "Va (radians)": [rmse_PQ[3], rmse_PV[3], rmse_REF[3]], + } + df_main = pd.DataFrame(data_main) + + # --- Residuals / generator metrics file --- + data_residuals = { + "Metric": [ + "Avg. active res. (MW)", + "Avg. reactive res. (MVar)", + ], + "Value": [avg_active_res, avg_reactive_res], + } + df_residuals = pd.DataFrame(data_residuals) + + # --- Save CSVs --- + test_dir = os.path.join(artifact_dir, "test") + os.makedirs(test_dir, exist_ok=True) + + main_csv_path = os.path.join(test_dir, f"{dataset}_RMSE.csv") + residuals_csv_path = os.path.join(test_dir, f"{dataset}_metrics.csv") + + df_main.to_csv(main_csv_path, index=False) + df_residuals.to_csv(residuals_csv_path, index=False) + + if self.args.verbose: + for dataset_idx, outputs in self.test_outputs.items(): + dataset_name = self.args.data.networks[dataset_idx] + + plot_dir = os.path.join(artifact_dir, "test_plots", dataset_name) + os.makedirs(plot_dir, exist_ok=True) + + # Concatenate predictions and targets across all batches + all_preds = torch.cat([d["pred"] for d in outputs]) + all_targets = torch.cat([d["target"] for d in outputs]) + all_masks = { + "PQ": torch.cat([d["mask_PQ"] for d in outputs]), + "PV": torch.cat([d["mask_PV"] for d in outputs]), + "REF": torch.cat([d["mask_REF"] for d in outputs]), + } + + plot_residuals_histograms(outputs, dataset_name, plot_dir) + + plot_correlation_by_node_type( + preds=all_preds, + targets=all_targets, + masks=all_masks, + feature_labels=["Vm", "Va", "Pg", "Qg"], + plot_dir=plot_dir, + prefix=dataset_name, + ) + + self.test_outputs.clear() + + def predict_step(self, batch, batch_idx, dataloader_idx=0): + raise NotImplementedError diff --git a/gridfm_graphkit/tasks/reconstruction_tasks.py b/gridfm_graphkit/tasks/reconstruction_tasks.py new file mode 100644 index 0000000..8742646 --- /dev/null +++ b/gridfm_graphkit/tasks/reconstruction_tasks.py @@ -0,0 +1,103 @@ +from gridfm_graphkit.io.param_handler import load_model, get_loss_function +from gridfm_graphkit.tasks.base_task import BaseTask +from pytorch_lightning.utilities import rank_zero_only + + +class ReconstructionTask(BaseTask): + """ + PyTorch Lightning task for node feature reconstruction on power grid graphs. + + This task wraps a GridFM model inside a LightningModule and defines the full + training, validation, testing, and prediction logic. It is designed to + reconstruct masked node features from graph-structured input data, using + datasets and normalizers provided by `gridfm-graphkit`. + + Args: + args (NestedNamespace): Experiment configuration. Expected fields include `training.batch_size`, `optimizer.*`, etc. + data_normalizers (list): One normalizer per dataset to (de)normalize features. + + Attributes: + model (torch.nn.Module): model loaded via `load_model`. + loss_fn (callable): Loss function resolved from configuration. + batch_size (int): Training batch size. From ``args.training.batch_size`` + data_normalizers (list): Dataset-wise feature normalizers. + + Methods: + forward(x, pe, edge_index, edge_attr, batch, mask=None): + Forward pass with optional feature masking. + training_step(batch): + One training step: computes loss, logs metrics, returns loss. + validation_step(batch, batch_idx): + One validation step: computes losses and logs metrics. + + """ + + def __init__(self, args, data_normalizers): + super().__init__(args, data_normalizers) + self.model = load_model(args=args) + self.loss_fn = get_loss_function(args) + self.batch_size = int(args.training.batch_size) + self.test_outputs = {i: [] for i in range(len(args.data.networks))} + + def forward(self, x_dict, edge_index_dict, edge_attr_dict, mask_dict): + return self.model(x_dict, edge_index_dict, edge_attr_dict, mask_dict) + + def shared_step(self, batch): + output = self.forward( + x_dict=batch.x_dict, + edge_index_dict=batch.edge_index_dict, + edge_attr_dict=batch.edge_attr_dict, + mask_dict=batch.mask_dict, + ) + + loss_dict = self.loss_fn( + output, + batch.y_dict, + batch.edge_index_dict, + batch.edge_attr_dict, + batch.mask_dict, + model=self.model, + ) + return output, loss_dict + + def training_step(self, batch): + _, loss_dict = self.shared_step(batch) + current_lr = self.optimizer.param_groups[0]["lr"] + metrics = {} + metrics["Training Loss"] = loss_dict["loss"].detach() + metrics["Learning Rate"] = current_lr + for metric, value in metrics.items(): + self.log( + metric, + value, + batch_size=batch.num_graphs, + sync_dist=False, + on_epoch=False, + prog_bar=False, + logger=True, + on_step=True, + ) + + return loss_dict["loss"] + + def validation_step(self, batch, batch_idx): + _, loss_dict = self.shared_step(batch) + loss_dict["loss"] = loss_dict["loss"].detach() + for metric, value in loss_dict.items(): + metric_name = f"Validation {metric}" + self.log( + metric_name, + value, + batch_size=batch.num_graphs, + sync_dist=True, + on_epoch=True, + logger=True, + on_step=False, + ) + + return loss_dict["loss"] + + @rank_zero_only + def on_test_end(self): + """Optional shared test end logic, like clearing stored outputs""" + self.test_outputs.clear() diff --git a/gridfm_graphkit/tasks/se_task.py b/gridfm_graphkit/tasks/se_task.py new file mode 100644 index 0000000..f7c1d94 --- /dev/null +++ b/gridfm_graphkit/tasks/se_task.py @@ -0,0 +1,186 @@ +from gridfm_graphkit.datasets.globals import ( + # Bus feature indices + PD_H, + QG_H, + QD_H, + VM_H, + VA_H, + # Output feature indices + VM_OUT, + VA_OUT, + PG_OUT, + QG_OUT, + # Generator feature indices + PG_H, +) + +from gridfm_graphkit.tasks.reconstruction_tasks import ReconstructionTask +from gridfm_graphkit.io.registries import TASK_REGISTRY +from gridfm_graphkit.tasks.utils import plot_correlation_by_node_type +from pytorch_lightning.utilities import rank_zero_only +import torch +from torch_scatter import scatter_add +from lightning.pytorch.loggers import MLFlowLogger +import os + + +@TASK_REGISTRY.register("StateEstimation") +class StateEstimationTask(ReconstructionTask): + def __init__(self, args, data_normalizers): + super().__init__(args, data_normalizers) + + # TODO: add custom test and predict steps + def test_step(self, batch, batch_idx, dataloader_idx=0): + output, loss_dict = self.shared_step(batch) + dataset_name = self.args.data.networks[dataloader_idx] + + self.data_normalizers[dataloader_idx].inverse_transform(batch) + self.data_normalizers[dataloader_idx].inverse_output(output) + + num_bus = batch.x_dict["bus"].size(0) + _, gen_to_bus_index = batch.edge_index_dict[("gen", "connected_to", "bus")] + + agg_gen_on_bus = scatter_add( + batch.y_dict["gen"], + gen_to_bus_index, + dim=0, + dim_size=num_bus, + ) + target = torch.stack( + [ + batch.y_dict["bus"][:, VM_H], + batch.y_dict["bus"][:, VA_H], + agg_gen_on_bus.squeeze() - batch.y_dict["bus"][:, PD_H], + batch.y_dict["bus"][:, QG_H] - batch.y_dict["bus"][:, QD_H], + ], + dim=1, + ) + + agg_meas_gen_on_bus = scatter_add( + batch.x_dict["gen"][:, [PG_H]], + gen_to_bus_index, + dim=0, + dim_size=num_bus, + ) + + # fig, ax = plt.subplots() + # mask = batch.mask_dict['gen'][:, PG_H] + # ax.hist((batch.x_dict['gen'][~mask, PG_H] - batch.y_dict['gen'][~mask, PG_H]).cpu().numpy(), bins=100) + # fig.savefig('gen.png') + + # fig, ax = plt.subplots() + # mask = batch.mask_dict['bus'][:, PD_H] + # ax.hist((batch.x_dict['bus'][~mask, PD_H] - batch.y_dict['bus'][~mask, PD_H]).cpu().numpy(), bins=100) + # fig.savefig('pd.png') + + measurements = torch.stack( + [ + batch.x_dict["bus"][:, VM_H], + batch.x_dict["bus"][:, VA_H], + agg_meas_gen_on_bus.squeeze() - batch.x_dict["bus"][:, PD_H], + batch.x_dict["bus"][:, QG_H] - batch.x_dict["bus"][:, QD_H], + ], + dim=1, + ) + + # fig, ax = plt.subplots() + # mask = batch.mask_dict['bus'][:, PG_H] + # ax.hist((agg_meas_gen_on_bus.squeeze()[~mask] - agg_gen_on_bus.squeeze()[~mask]).cpu().numpy(), bins=100) + # fig.savefig('gen_to_bus.png') + + outliers_bus = batch.mask_dict["outliers_bus"] + mask_bus = batch.mask_dict["bus"][:, : outliers_bus.size(1)] + non_outliers_bus = torch.logical_and(~outliers_bus, ~mask_bus) + masks = [outliers_bus, mask_bus, non_outliers_bus] + for i, mask in enumerate(masks): + new_mask = torch.zeros_like(target, dtype=bool) + new_mask[:, VM_OUT] = mask[:, VM_H] + new_mask[:, VA_OUT] = mask[:, VA_H] + new_mask[:, PG_OUT] = mask[:, PD_H] + new_mask[:, QG_OUT] = mask[:, QD_H] + masks[i] = new_mask + outliers_bus, mask_bus, non_outliers_bus = masks + + # fig, ax = plt.subplots() + # ax.hist((measurements[~mask_bus[:, PG_OUT], PG_OUT] - target[~mask_bus[:, PG_OUT], PG_OUT]).cpu().numpy(), bins=100) + # fig.savefig('p_inj.png') + # assert False + + self.test_outputs[dataloader_idx].append( + { + "dataset": dataset_name, + "pred": output["bus"].detach().cpu(), + "target": target.detach().cpu(), + "measurement": measurements.cpu(), + "mask_bus": mask_bus.detach().cpu(), + "outliers_bus": outliers_bus.detach().cpu(), + "non_outliers_bus": non_outliers_bus.detach().cpu(), + }, + ) + + @rank_zero_only + def on_test_end(self): + if isinstance(self.logger, MLFlowLogger): + artifact_dir = os.path.join( + self.logger.save_dir, + self.logger.experiment_id, + self.logger.run_id, + "artifacts", + ) + else: + artifact_dir = self.logger.save_dir + + if self.args.verbose: + for dataset_idx, outputs in self.test_outputs.items(): + dataset_name = self.args.data.networks[dataset_idx] + + plot_dir = os.path.join(artifact_dir, "test_plots", dataset_name) + os.makedirs(plot_dir, exist_ok=True) + + # Concatenate predictions and targets across all batches + all_preds = torch.cat([d["pred"] for d in outputs]) + all_targets = torch.cat([d["target"] for d in outputs]) + all_measurements = torch.cat([d["measurement"] for d in outputs]) + + all_masks = { + m: torch.cat([d[m] for d in outputs]) + for m in ["mask_bus", "outliers_bus", "non_outliers_bus"] + } + + plot_correlation_by_node_type( + preds=all_preds, + targets=all_targets, + masks=all_masks, + feature_labels=["Vm", "Va", "Pg", "Qg"], + plot_dir=plot_dir, + prefix=dataset_name + "_pred_vs_target_", + xlabel="Target", + ylabel="Pred", + ) + + plot_correlation_by_node_type( + preds=all_preds, + targets=all_measurements, + masks=all_masks, + feature_labels=["Vm", "Va", "Pg", "Qg"], + plot_dir=plot_dir, + prefix=dataset_name + "_pred_vs_measured_", + xlabel="Measured", + ylabel="Pred", + ) + + plot_correlation_by_node_type( + preds=all_measurements, + targets=all_targets, + masks=all_masks, + feature_labels=["Vm", "Va", "Pg", "Qg"], + plot_dir=plot_dir, + prefix=dataset_name + "_measured_vs_target_", + xlabel="Target", + ylabel="Measured", + ) + + self.test_outputs.clear() + + def predict_step(self, batch, batch_idx, dataloader_idx=0): + pass diff --git a/gridfm_graphkit/tasks/utils.py b/gridfm_graphkit/tasks/utils.py new file mode 100644 index 0000000..c77a995 --- /dev/null +++ b/gridfm_graphkit/tasks/utils.py @@ -0,0 +1,171 @@ +import torch +from torch_scatter import scatter_mean, scatter_max +import matplotlib.pyplot as plt +import seaborn as sns +import numpy as np +import os + + +def residual_stats_by_type(residual, mask, bus_batch): + residual_masked = residual[mask] + batch_masked = bus_batch[mask] + mean_res = scatter_mean(torch.abs(residual_masked), batch_masked, dim=0) + max_res, _ = scatter_max(torch.abs(residual_masked), batch_masked, dim=0) + return mean_res, max_res + + +def plot_residuals_histograms(outputs, dataset_name, plot_dir): + """ + Plot mean/max residuals for P and Q, per bus type with consistent bins. + """ + bus_types = ["REF", "PV", "PQ"] + colors = ["#6baed6", "#fd8d3c", "#74c476"] # PQ, PV, REF + + stats = [ + ("mean_residual_P", "Mean P Residual"), + ("mean_residual_Q", "Mean Q Residual"), + ("max_residual_P", "Max P Residual"), + ("max_residual_Q", "Max Q Residual"), + ] + + for stat_key, title in stats: + # Gather all data first to compute common bin edges + all_data = torch.cat( + [ + torch.cat([d[f"{stat_key}_{bus_type}"] for d in outputs]) + for bus_type in bus_types + ], + ).numpy() + + # Define bins across the entire data range + bins = np.linspace(all_data.min(), all_data.max(), 61) # 30 bins of equal width + + plt.figure(figsize=(10, 6)) + for bus_type, color in zip(bus_types, colors): + data = torch.cat([d[f"{stat_key}_{bus_type}"] for d in outputs]).numpy() + plt.hist(data, bins=bins, alpha=0.6, label=bus_type, color=color) + + plt.title(f"{title} per Bus Type in {dataset_name}") + plt.xlabel("Residual (MW or MVar)") + plt.ylabel("Frequency") + plt.legend(title="Bus Type") + plt.grid(True, linestyle="--", alpha=0.5) + plt.tight_layout() + + save_path = os.path.join(plot_dir, f"{stat_key}.png") + plt.savefig(save_path, dpi=300) + plt.close() + + +def plot_correlation_by_node_type( + preds: torch.Tensor, + targets: torch.Tensor, + masks: dict, + feature_labels: list, + plot_dir: str, + prefix: str = "", + xlabel: str = "Target", + ylabel: str = "Pred", + qg_violation_mask: torch.Tensor = None, +): + """ + Create correlation scatter plots per node type (PQ, PV, REF), + and highlight Qg violations in red if a violation mask is provided. + + Args: + preds (torch.Tensor): Predictions [N, F] + targets (torch.Tensor): Targets [N, F] + masks (dict): { "PQ": mask, "PV": mask, "REF": mask } + feature_labels (list): Feature labels + plot_dir (str): Directory to save plots + prefix (str): Optional filename prefix + qg_violation_mask (torch.BoolTensor): Global mask of Qg limit violations + """ + + os.makedirs(plot_dir, exist_ok=True) + + for node_type, mask in masks.items(): + if len(mask.shape) == 1: + preds_masked = preds[mask] + targets_masked = targets[mask] + else: + preds_masked = torch.where(mask, preds, 0) + targets_masked = torch.where(mask, targets, 0) + + if preds_masked.numel() == 0: + continue + + # ALSO mask Qg violations for this node type + if qg_violation_mask is not None: + qg_violation_mask_local = qg_violation_mask[mask].cpu().numpy() + else: + qg_violation_mask_local = None + + fig, axes = plt.subplots(2, 2, figsize=(15, 8)) + axes = axes.flatten() + + for i, (ax, label) in enumerate(zip(axes, feature_labels)): + x = targets_masked[:, i].cpu().numpy().flatten() + y = preds_masked[:, i].cpu().numpy().flatten() + + # --- normal scatter for all except Qg --- + if label != "Qg" or qg_violation_mask_local is None: + sns.scatterplot(x=x, y=y, s=6, alpha=0.4, ax=ax, edgecolor=None) + else: + # --- For Qg: split normal vs violating points --- + normal_mask = ~qg_violation_mask_local + viol_mask = qg_violation_mask_local + + # Normal (blue) + sns.scatterplot( + x=x[normal_mask], + y=y[normal_mask], + s=6, + alpha=0.4, + ax=ax, + edgecolor=None, + label="Valid Qg", + ) + + # Violating (RED) + sns.scatterplot( + x=x[viol_mask], + y=y[viol_mask], + s=8, + alpha=0.8, + ax=ax, + edgecolor="red", + color="red", + label="Qg violation", + ) + + ax.legend() + + # --- reference y=x line --- + min_val = min(x.min(), y.min()) + max_val = max(x.max(), y.max()) + ax.plot( + [min_val, max_val], + [min_val, max_val], + "k--", + linewidth=1.0, + alpha=0.7, + ) + + # --- R² correlation --- + corr = np.corrcoef(x, y)[0, 1] + if label != "Qg" or qg_violation_mask_local is None: + ax.set_title(f"{node_type} – {label}\nR² = {corr**2:.3f}") + else: + num_violations = qg_violation_mask_local.sum().item() + total_points = qg_violation_mask_local.shape[0] + ax.set_title( + f"{node_type} – {label}\nR² = {corr**2:.3f} - {num_violations} violations out of {total_points} predictions", + ) + ax.set_xlabel(xlabel) + ax.set_ylabel(ylabel) + + plt.tight_layout() + filename = f"{prefix}_correlation_{node_type}.png" + plt.savefig(os.path.join(plot_dir, filename), dpi=300) + plt.close(fig) diff --git a/gridfm_graphkit/training/__init__.py b/gridfm_graphkit/training/__init__.py index e69de29..15452ee 100644 --- a/gridfm_graphkit/training/__init__.py +++ b/gridfm_graphkit/training/__init__.py @@ -0,0 +1,16 @@ +from gridfm_graphkit.training.loss import ( + MSELoss, + MaskedMSELoss, + LayeredWeightedPhysicsLoss, + MaskedBusMSE, + MaskedGenMSE, +) + +__all__ = [ + "MSELoss", + "MaskedMSELoss", + "LayeredWeightedPhysicsLoss", + "MaskedBusMSE", + "MaskedGenMSE", + "LossPerDim", +] diff --git a/gridfm_graphkit/training/loss.py b/gridfm_graphkit/training/loss.py index f90953b..d253d2b 100644 --- a/gridfm_graphkit/training/loss.py +++ b/gridfm_graphkit/training/loss.py @@ -1,143 +1,163 @@ -from gridfm_graphkit.datasets.globals import PD, QD, PG, QG, VM, VA, G, B - import torch.nn.functional as F import torch -from torch_geometric.utils import to_torch_coo_tensor import torch.nn as nn - - -class MaskedMSELoss(nn.Module): +from abc import ABC, abstractmethod +from gridfm_graphkit.io.registries import LOSS_REGISTRY +from torch_scatter import scatter_add + +from gridfm_graphkit.datasets.globals import ( + # Bus feature indices + QG_H, + VM_H, + VA_H, + QD_H, + PD_H, + # Output feature indices + VM_OUT, + VA_OUT, + QG_OUT, + PG_OUT, + # Generator feature indices + PG_H, +) + + +class BaseLoss(nn.Module, ABC): """ - Mean Squared Error loss computed only on masked elements. + Abstract base class for all custom loss functions. """ - def __init__(self, reduction="mean"): - super(MaskedMSELoss, self).__init__() - self.reduction = reduction - - def forward(self, pred, target, edge_index=None, edge_attr=None, mask=None): - loss = F.mse_loss(pred[mask], target[mask], reduction=self.reduction) - return {"loss": loss, "Masked MSE loss": loss.detach()} - - -class MSELoss(nn.Module): - """Standard Mean Squared Error loss.""" - - def __init__(self, reduction="mean"): - super(MSELoss, self).__init__() - self.reduction = reduction - - def forward(self, pred, target, edge_index=None, edge_attr=None, mask=None): - loss = F.mse_loss(pred, target, reduction=self.reduction) - return {"loss": loss, "MSE loss": loss.detach()} - - -class SCELoss(nn.Module): - """Scaled Cosine Error Loss with optional masking and normalization.""" - - def __init__(self, alpha=3): - super(SCELoss, self).__init__() - self.alpha = alpha - - def forward(self, pred, target, edge_index=None, edge_attr=None, mask=None): - if mask is not None: - pred = F.normalize(pred[mask], p=2, dim=-1) - target = F.normalize(target[mask], p=2, dim=-1) - else: - pred = F.normalize(pred, p=2, dim=-1) - target = F.normalize(target, p=2, dim=-1) + @abstractmethod + def forward( + self, + pred, + target, + edge_index=None, + edge_attr=None, + mask=None, + model=None, + ): + """ + Compute the loss. - loss = ((1 - (pred * target).sum(dim=-1)).pow(self.alpha)).mean() + Parameters: + - pred: Predictions. + - target: Ground truth. + - edge_index: Optional edge index for graph-based losses. + - edge_attr: Optional edge attributes for graph-based losses. + - mask: Optional mask to filter the inputs for certain losses. + - model: Optional model reference for accessing internal states. - return { - "loss": loss, - "SCE loss": loss.detach(), - } + Returns: + - A dictionary with the total loss and any additional metrics. + """ + pass -class PBELoss(nn.Module): +@LOSS_REGISTRY.register("MaskedMSE") +class MaskedMSELoss(BaseLoss): """ - Loss based on the Power Balance Equations. + Mean Squared Error loss computed only on masked elements. """ - def __init__(self, visualization=False): - super(PBELoss, self).__init__() - - self.visualization = visualization - - def forward(self, pred, target, edge_index, edge_attr, mask): - # Create a temporary copy of pred to avoid modifying it - temp_pred = pred.clone() - - # If a value is not masked, then use the original one - unmasked = ~mask - temp_pred[unmasked] = target[unmasked] + def __init__(self, loss_args, args): + super(MaskedMSELoss, self).__init__() + self.reduction = "mean" + + def forward( + self, + pred, + target, + edge_index=None, + edge_attr=None, + mask=None, + model=None, + ): + loss = F.mse_loss(pred[mask], target[mask], reduction=self.reduction) + return {"loss": loss, "Masked MSE loss": loss.detach()} - # Voltage magnitudes and angles - V_m = temp_pred[:, VM] # Voltage magnitudes - V_a = temp_pred[:, VA] # Voltage angles - # Compute the complex voltage vector V - V = V_m * torch.exp(1j * V_a) +@LOSS_REGISTRY.register("MaskedGenMSE") +class MaskedGenMSE(torch.nn.Module): + def __init__(self, loss_args, args): + super().__init__() + self.reduction = "mean" + + def forward( + self, + pred_dict, + target_dict, + edge_index, + edge_attr, + mask_dict, + model=None, + ): + loss = F.mse_loss( + pred_dict["gen"][mask_dict["gen"][:, : (PG_H + 1)]], + target_dict["gen"][mask_dict["gen"][:, : (PG_H + 1)]], + reduction=self.reduction, + ) + return {"loss": loss, "Masked generator MSE loss": loss.detach()} + + +@LOSS_REGISTRY.register("MaskedBusMSE") +class MaskedBusMSE(torch.nn.Module): + def __init__(self, loss_args, args): + super().__init__() + self.reduction = "mean" + self.args = args + + def forward( + self, + pred_dict, + target_dict, + edge_index, + edge_attr, + mask_dict, + model=None, + ): + if self.args.task == "OptimalPowerFlow": + pred_cols = [VM_OUT, VA_OUT, QG_OUT] + target_cols = [VM_H, VA_H, QG_H] + else: + pred_cols = [VM_OUT, VA_OUT] + target_cols = [VM_H, VA_H] - # Compute the conjugate of V - V_conj = torch.conj(V) + pred_bus = pred_dict["bus"][:, pred_cols] # shape: [N, 3] + target_bus = target_dict["bus"][:, target_cols] - # Extract edge attributes for Y_bus - edge_complex = edge_attr[:, G] + 1j * edge_attr[:, B] + mask = mask_dict["bus"][:, target_cols] - # Construct sparse admittance matrix (real and imaginary parts separately) - Y_bus_sparse = to_torch_coo_tensor( - edge_index, - edge_complex, - size=(target.size(0), target.size(0)), + loss = F.mse_loss( + pred_bus[mask], + target_bus[mask], + reduction=self.reduction, ) + return {"loss": loss, "Masked bus MSE loss": loss.detach()} - # Conjugate of the admittance matrix - Y_bus_conj = torch.conj(Y_bus_sparse) - - # Compute the complex power injection S_injection - S_injection = torch.diag(V) @ Y_bus_conj @ V_conj - # Compute net power balance - net_P = temp_pred[:, PG] - temp_pred[:, PD] - net_Q = temp_pred[:, QG] - temp_pred[:, QD] - S_net_power_balance = net_P + 1j * net_Q - - # Power balance loss - loss = torch.mean( - torch.abs(S_net_power_balance - S_injection), - ) # Mean of absolute complex power value +@LOSS_REGISTRY.register("MSE") +class MSELoss(BaseLoss): + """Standard Mean Squared Error loss.""" - real_loss_power = torch.mean( - torch.abs(torch.real(S_net_power_balance - S_injection)), - ) - imag_loss_power = torch.mean( - torch.abs(torch.imag(S_net_power_balance - S_injection)), - ) - if self.visualization: - return { - "loss": loss, - "Power loss in p.u.": loss.detach(), - "Active Power Loss in p.u.": real_loss_power.detach(), - "Reactive Power Loss in p.u.": imag_loss_power.detach(), - "Nodal Active Power Loss in p.u.": torch.abs( - torch.real(S_net_power_balance - S_injection), - ), - "Nodal Reactive Power Loss in p.u.": torch.abs( - torch.imag(S_net_power_balance - S_injection), - ), - } - else: - return { - "loss": loss, - "Power loss in p.u.": loss.detach(), - "Active Power Loss in p.u.": real_loss_power.detach(), - "Reactive Power Loss in p.u.": imag_loss_power.detach(), - } + def __init__(self, loss_args, args): + super(MSELoss, self).__init__() + self.reduction = "mean" + + def forward( + self, + pred, + target, + edge_index=None, + edge_attr=None, + mask=None, + model=None, + ): + loss = F.mse_loss(pred, target, reduction=self.reduction) + return {"loss": loss, "MSE loss": loss.detach()} -class MixedLoss(nn.Module): +class MixedLoss(BaseLoss): """ Combines multiple loss functions with weighted sum. @@ -157,7 +177,15 @@ def __init__(self, loss_functions, weights): self.loss_functions = nn.ModuleList(loss_functions) self.weights = weights - def forward(self, pred, target, edge_index=None, edge_attr=None, mask=None): + def forward( + self, + pred, + target, + edge_index=None, + edge_attr=None, + mask=None, + model=None, + ): """ Compute the weighted sum of all specified losses. @@ -179,9 +207,10 @@ def forward(self, pred, target, edge_index=None, edge_attr=None, mask=None): loss_output = loss_fn( pred, target, - edge_index=edge_index, - edge_attr=edge_attr, - mask=mask, + edge_index, + edge_attr, + mask, + model, ) # Assume each loss function returns a dictionary with a "loss" key @@ -196,3 +225,100 @@ def forward(self, pred, target, edge_index=None, edge_attr=None, mask=None): loss_details["loss"] = total_loss return loss_details + + +@LOSS_REGISTRY.register("LayeredWeightedPhysics") +class LayeredWeightedPhysicsLoss(BaseLoss): + def __init__(self, loss_args, args) -> None: + super().__init__() + self.base_weight = loss_args.base_weight + + def forward( + self, + pred, + target, + edge_index=None, + edge_attr=None, + mask=None, + model=None, + ): + total_loss = 0.0 + loss_details = {} + + layer_keys = sorted(model.layer_residuals.keys()) + L = len(layer_keys) + + # Compute raw weights (geometric decay) + raw_weights = [self.base_weight ** (L - idx - 1) for idx in range(L)] + + # Normalize so weights sum to 1 + weight_sum = sum(raw_weights) + norm_weights = [w / weight_sum for w in raw_weights] + + for key, weight in zip(layer_keys, norm_weights): + residual = model.layer_residuals[key] + total_loss = total_loss + weight * residual + loss_details[f"layer_{key}_residual"] = residual.item() + loss_details[f"layer_{key}_weight"] = weight + + loss_details["loss"] = total_loss + loss_details["Layered Weighted Physics Loss"] = total_loss.item() + return loss_details + + +@LOSS_REGISTRY.register("LossPerDim") +class LossPerDim(BaseLoss): + def __init__(self, loss_args, args): + super(LossPerDim, self).__init__() + self.reduction = "mean" + self.loss_str = loss_args.loss_str + self.dim = loss_args.dim + if self.dim not in ["VM", "VA", "P_in", "Q_in"]: + raise ValueError( + f"LossPerDim initialized with not valid dim: {self.dim}", + ) + + elif self.loss_str not in ["MAE", "MSE"]: + raise ValueError( + f"LossPerDim initialized with not valid loss_str: {self.loss_str}", + ) + + def forward( + self, + pred_dict, + target_dict, + edge_index, + edge_attr, + mask_dict, + model=None, + ): + if self.dim == "VM": + temp_pred = pred_dict["bus"][:, VM_OUT] + temp_target = target_dict["bus"][:, VM_H] + elif self.dim == "VA": + temp_pred = pred_dict["bus"][:, VA_OUT] + temp_target = target_dict["bus"][:, VA_H] + elif self.dim == "P_in": + temp_pred = pred_dict["bus"][:, PG_OUT] + num_bus = temp_pred.size(0) + gen_to_bus_index = edge_index[("gen", "connected_to", "bus")] + temp_gen = scatter_add( + target_dict["gen"][:, PG_H], + gen_to_bus_index[1, :], + dim=0, + dim_size=num_bus, + ) + temp_target = temp_gen - target_dict["bus"][:, PD_H] + elif self.dim == "Q_in": + temp_pred = pred_dict["bus"][:, QG_OUT] + temp_target = target_dict["bus"][:, QG_H] - target_dict["bus"][:, QD_H] + + mse_loss = F.mse_loss(temp_pred, temp_target, reduction=self.reduction) + mae_loss = F.l1_loss(temp_pred, temp_target, reduction=self.reduction) + + loss = mse_loss if self.loss_str == "mse" else mae_loss + return { + "loss": loss, + f"MSE loss {self.dim}": mse_loss.detach(), + f"MAE loss {self.dim}": mae_loss.detach(), + } diff --git a/gridfm_graphkit/utils/__init__.py b/gridfm_graphkit/utils/__init__.py deleted file mode 100644 index e69de29..0000000 diff --git a/gridfm_graphkit/utils/utils.py b/gridfm_graphkit/utils/utils.py deleted file mode 100644 index d4aefe5..0000000 --- a/gridfm_graphkit/utils/utils.py +++ /dev/null @@ -1,42 +0,0 @@ -def compute_cm_metrics(y_test, y_pred, model_name, label_plot): - """ - Compute confusion matrix (TP,FP,TN,FN) for predicted overleads along with their respective rates and accuracy metric. - - Parameters: - - y_pred: predicted overlads - - y_test: ground truth overloads - - prediction_dir: - - label_plot: - """ - - TP = (y_test & y_pred).sum() - FP = ((~y_test) & y_pred).sum() - TN = ((~y_test) & (~y_pred)).sum() - FN = (y_test & (~y_pred)).sum() - - # accuracy - accuracy = (TP + TN) / (TP + FP + TN + FN) - print(f"Accuracy: {accuracy:.3f}") - - TPR = TP / (TP + FN) - FPR = FP / (FP + TN) - TNR = TN / (TN + FP) - FNR = FN / (FN + TP) - # TODO change text to fit both overloadings and voltage violations - print("Confusion Matrix:") - print(f"TP: {TP}, FP: {FP}, TN: {TN}, FN: {FN}") - print( - f"GridFM\nTPR: {TPR:.3f} (percentage of overloadings correctly predicted)\nFPR: {FPR:.3f} (percentage of non-overloadings predicted as overloadings)\nTNR: {TNR:.2f}\nFNR: {FNR:.2f}", - ) - with open(f"metrics_overloading_{model_name}.txt", "w") as f: - f.write(f"Accuracy: {accuracy:.3f}\n") - f.write("Confusion Matrix:\n") - f.write(f"TP: {TP}, FP: {FP}, TN: {TN}, FN: {FN}\n") - f.write(f"{label_plot} Metrics:\n") - f.write(f"TPR: {TPR:.5f} (percentage of overloadings correctly predicted)\n") - f.write( - f"FPR: {FPR:.5f} (percentage of non-overloadings predicted as overloadings)\n", - ) - f.write(f"TNR: {TNR:.5f}\n") - f.write(f"FNR: {FNR:.5f}\n") - return TP, FP, TN, FN diff --git a/gridfm_graphkit/utils/visualization.py b/gridfm_graphkit/utils/visualization.py deleted file mode 100644 index 276d403..0000000 --- a/gridfm_graphkit/utils/visualization.py +++ /dev/null @@ -1,513 +0,0 @@ -from gridfm_graphkit.training.loss import PBELoss -from gridfm_graphkit.datasets.globals import PQ, PV, REF - -import networkx as nx -import matplotlib.pyplot as plt -from matplotlib.colors import LogNorm -from scipy.stats import pearsonr -import seaborn as sns -import numpy as np -import copy - - -def visualize_error(data_point, output, node_normalizer): - loss = PBELoss(visualization=True) - - loss_dict = loss( - output, - data_point.y, - data_point.edge_index, - data_point.edge_attr, - data_point.mask, - ) - active_loss = loss_dict["Nodal Active Power Loss in p.u."] - active_loss = active_loss.cpu() * node_normalizer.baseMVA - - # Create a graph - G = nx.Graph() - edges = [ - (u, v) - for u, v in zip( - data_point.edge_index[0].tolist(), - data_point.edge_index[1].tolist(), - ) - if u != v - ] - G.add_edges_from(edges) - - # Assign labels based on node type - node_shapes = {"REF": "s", "PV": "H", "PQ": "o"} - num_nodes = data_point.x.shape[0] - mask_PQ = data_point.x[:, PQ] == 1 - mask_PV = data_point.x[:, PV] == 1 - mask_REF = data_point.x[:, REF] == 1 - node_labels = {} - for i in range(num_nodes): - if mask_REF[i]: - node_labels[i] = "REF" - elif mask_PV[i]: - node_labels[i] = "PV" - elif mask_PQ[i]: - node_labels[i] = "PQ" - - # Set node positions - pos = nx.spring_layout(G, seed=42) - - # Define colormap - cmap = plt.cm.viridis - vmin = min(active_loss) - vmax = max(active_loss) - norm = plt.Normalize(vmin=vmin, vmax=vmax) - - # Create a figure and axis - fig, ax = plt.subplots(figsize=(13, 7)) - - # Draw nodes with heatmap coloring - for node_type, shape in node_shapes.items(): - nodes = [i for i in node_labels if node_labels[i] == node_type] - nx.draw_networkx_nodes( - G, - pos, - nodelist=nodes, - node_color=[active_loss[i] for i in nodes], - cmap=cmap, - node_size=800, - ax=ax, - vmin=vmin, - vmax=vmax, - node_shape=shape, - ) - - # Draw edges - nx.draw_networkx_edges(G, pos, edge_color="gray", alpha=0.5, ax=ax) - - # Draw labels (node types) - nx.draw_networkx_labels( - G, - pos, - labels=node_labels, - font_size=10, - font_color="white", - font_weight="bold", - ax=ax, - ) - - # Add colorbar - cbar = plt.colorbar(plt.cm.ScalarMappable(cmap=cmap, norm=norm), ax=ax) - cbar.set_label("Active Power Residuals (MW)", fontsize=12) - cbar.ax.tick_params(labelsize=12) - - for spine in ax.spines.values(): - spine.set_linewidth(2) # Adjust thickness here (e.g., 2 or any value) - - # Show plot - plt.title("Nodal Active Power Residuals", fontsize=14, fontweight="bold") - plt.show() - - -def visualize_quantity_heatmap( - data_point, - output, - quantity, - quantity_name, - unit, - node_normalizer, -): - """ - Visualizes a heatmap of a specified quantity (VM, PD, QD, PG, QG, VA) for a given dataset and model. - - Parameters: - data_point: Power grid data. - model: The trained model used for inference. - quantity: The quantity to visualize (e.g., VM, PD, QD, PG, QG, VA). - """ - data_point = copy.deepcopy(data_point) - output = copy.deepcopy(output) - mask_PQ = data_point.x[:, PQ] == 1 - mask_PV = data_point.x[:, PV] == 1 - mask_REF = data_point.x[:, REF] == 1 - - output = node_normalizer.inverse_transform(output) - denormalized_gt = node_normalizer.inverse_transform(data_point.y) - - gt_values = denormalized_gt[:, quantity] - predicted_values = output[:, quantity] - predicted_values[~data_point.mask[:, quantity]] = denormalized_gt[ - ~data_point.mask[:, quantity], - quantity, - ] - - num_nodes = data_point.x.shape[0] - - node_shapes = {"REF": "s", "PV": "H", "PQ": "o"} - - # Create graph - G = nx.Graph() - edges = [ - (u, v) - for u, v in zip( - data_point.edge_index[0].tolist(), - data_point.edge_index[1].tolist(), - ) - if u != v - ] - G.add_edges_from(edges) - - node_labels = {} - for i in range(num_nodes): - if mask_REF[i]: - node_labels[i] = "REF" - elif mask_PV[i]: - node_labels[i] = "PV" - elif mask_PQ[i]: - node_labels[i] = "PQ" - - pos = nx.spring_layout(G, seed=42) - cmap = plt.cm.viridis - vmin = min(predicted_values) - vmax = max(predicted_values) - norm = plt.Normalize(vmin=vmin, vmax=vmax) - - masked_node_indices = np.where(data_point.mask[:, quantity].cpu())[0] - - # Create subplots for side-by-side layout (3 plots) - fig, axes = plt.subplots(1, 3, figsize=(22, 8)) - - # First plot (ground truth values) - ax = axes[0] - for node_type, shape in node_shapes.items(): - nodes = [i for i in node_labels if node_labels[i] == node_type] - node_size = 390 if node_type == "REF" else 600 - nx.draw_networkx_nodes( - G, - pos, - nodelist=nodes, - node_color=[gt_values[i] for i in nodes], - cmap=cmap, - node_size=node_size, - ax=ax, - vmin=vmin, - vmax=vmax, - node_shape=shape, - ) - - nx.draw_networkx_edges(G, pos, edge_color="gray", alpha=0.5, ax=ax, width=2) - nx.draw_networkx_labels( - G, - pos, - labels=node_labels, - font_size=10, - font_color="white", - font_weight="bold", - ax=ax, - ) - ax.set_title(f"Ground truth {quantity_name}", fontsize=14, fontweight="bold") - - for spine in ax.spines.values(): - spine.set_linewidth(2) # Adjust thickness - - # Second plot (with masked nodes in gray) - ax = axes[1] - for node_type, shape in node_shapes.items(): - nodes = [i for i in node_labels if node_labels[i] == node_type] - node_size = 390 if node_type == "REF" else 600 - nx.draw_networkx_nodes( - G, - pos, - nodelist=nodes, - node_color=[gt_values[i] for i in nodes], - cmap=cmap, - node_size=node_size, - ax=ax, - vmin=vmin, - vmax=vmax, - node_shape=shape, - ) - - nx.draw_networkx_nodes( - G, - pos, - nodelist=masked_node_indices, - node_color="#D3D3D3", - node_size=750, - ax=ax, - ) - nx.draw_networkx_edges(G, pos, edge_color="gray", alpha=0.5, ax=ax, width=2) - nx.draw_networkx_labels( - G, - pos, - labels=node_labels, - font_size=10, - font_color="white", - font_weight="bold", - ax=ax, - ) - ax.set_title(f"Masked {quantity_name}", fontsize=14, fontweight="bold") - - for spine in ax.spines.values(): - spine.set_linewidth(2) # Adjust thickness - - # Third plot (predicted values without masking) - ax = axes[2] - for node_type, shape in node_shapes.items(): - nodes = [i for i in node_labels if node_labels[i] == node_type] - node_size = 390 if node_type == "REF" else 600 - nx.draw_networkx_nodes( - G, - pos, - nodelist=nodes, - node_color=[predicted_values[i] for i in nodes], - cmap=cmap, - node_size=node_size, - ax=ax, - vmin=vmin, - vmax=vmax, - node_shape=shape, - ) - - nx.draw_networkx_edges(G, pos, edge_color="gray", alpha=0.5, ax=ax, width=2) - nx.draw_networkx_labels( - G, - pos, - labels=node_labels, - font_size=10, - font_color="white", - font_weight="bold", - ax=ax, - ) - ax.set_title(f"Reconstructed {quantity_name}", fontsize=14, fontweight="bold") - - for spine in ax.spines.values(): - spine.set_linewidth(2) # Adjust thickness - - # Colorbar placement - cbar_ax = fig.add_axes([0.93, 0.1, 0.02, 0.8]) - cbar = plt.colorbar(plt.cm.ScalarMappable(cmap=cmap, norm=norm), cax=cbar_ax) - cbar.set_label(f"{quantity_name} ({unit})", fontsize=12) - cbar.ax.tick_params(labelsize=12) - - plt.subplots_adjust(right=0.9) - plt.show() - - -def plot_mass_correlation_density( - true_vals, - gfm_vals, - model_name, - label_plot, - x_max=2, - y_max=3, -): - """ - TODO docstring - - """ - # TODO check if these parameters need to be passed by func or default behavior - vmin = 1 - x_min = 0 - y_min = 0 - bin_width = 0.01 # consistent bin width for both plots - - # Generate consistent bins - x_bins = np.arange(x_min, x_max + bin_width, bin_width) - y_bins = np.arange(y_min, y_max + bin_width, bin_width) - - # estimate vmax on mean count of elements across bins - counts, _, _ = np.histogram2d(true_vals, gfm_vals, bins=[x_bins, y_bins]) - - counts[counts == 0] = np.nan - means = np.nanmean(counts) - std = np.nanstd(counts) - vmax = means + 3 * std - - # Pearson correlations - corr_gfm, _ = pearsonr(true_vals, gfm_vals) - - # Create figure with shared x-axis - fig, ax1 = plt.subplots(figsize=(9, 7)) - - # --- GridFM Mass Correlation --- - h1 = ax1.hist2d( - true_vals, - gfm_vals, - bins=[x_bins, y_bins], - norm=LogNorm(vmin=vmin, vmax=vmax), - cmap="inferno", - ) - ax1.axvline(1, color="black", linestyle="--", linewidth=2.0) - ax1.axhline(1, color="black", linestyle="--", linewidth=2.0) - ax1.plot([0, 5], [0, 5], "k--", linewidth=0.5) - ax1.set_xlabel("True Loadings", fontsize=12) - ax1.set_ylabel("Predicted Loadings", fontsize=12) - ax1.set_title(label_plot, fontsize=14) - ax1.text( - x_max - 1.5, - 0.93, - f"r = {corr_gfm:.5f}", - transform=ax1.transAxes, - fontsize=13, - weight="bold", - ) - - # Colorbar - cbar = fig.colorbar(h1[3], ax=ax1, pad=0.02) - cbar.set_label("Number of samples", fontsize=10) - - # Style adjustments - ax1.set_xlim(x_min, x_max) - ax1.set_ylim(y_min, y_max) - ax1.grid(True, linewidth=0.3) - ax1.tick_params(axis="both", labelsize=10) - - plt.tight_layout() - plt.savefig(f"mass_correlation_density_{model_name}.png", bbox_inches="tight") - plt.show() - - -def plot_cm(TN, FP, FN, TP, model_name, label_plot): - """ - TODO docstring - """ - cm = np.array([[TN, FP], [FN, TP]]) - - cm_labels = ["Non-overload", "Overload"] - - fig_cm, ax_cm = plt.subplots(figsize=(6, 6)) - - sns.heatmap( - cm, - annot=True, - fmt="d", - cbar=False, - square=True, - linewidths=0.5, - cmap="Blues", - xticklabels=cm_labels, - yticklabels=cm_labels, - ax=ax_cm, - annot_kws={"size": 14}, - ) - - ax_cm.set_xlabel("Predicted", fontsize=12) - ax_cm.set_ylabel("True", fontsize=12) - ax_cm.set_title(f"Confusion Matrix {label_plot}", fontsize=14) - ax_cm.tick_params(axis="both", labelsize=12) - - plt.tight_layout() - plt.savefig(f"confusion_matrix_overload_{model_name}.png", bbox_inches="tight") - plt.show() - - -def plot_loading_predictions( - loadings_pred, - loadings_dc, - loadings_gt, - prediction_dir, - label_plot, -): - """ - TODO docstrings - """ - plt.hist( - loadings_pred, - alpha=0.5, - label=label_plot, - density=True, - bins=100, - ) - plt.hist(loadings_dc, alpha=0.5, label="DC Solver", density=True, bins=100) - plt.hist(loadings_gt, alpha=0.5, label="Ground truth", density=True, bins=100) - - plt.xlabel("Loading Values") - plt.ylabel("Density") - plt.yscale("log") - plt.legend() - - plt.savefig(f"distribution_loading_predictions_{prediction_dir}.png") - plt.show() - - -def plot_mass_correlation_density_voltage( - pf_node, - prediction_dir, - label_plot, - x_min=0.85, - y_min=0.85, - x_max=1.15, - y_max=1.15, -): - """ - TODO docstrings - TODO refactor if we pass by parameters a few more plot deets we can use plot_mass_correlation_density for both - - """ - # Get the global min and max for color scaling (avoid log(0) by setting min to at least 1) - vmin = 1 - bin_width = 0.001 # consistent bin width for both plots - - # Generate consistent bins - x_bins = np.arange(x_min, x_max + bin_width, bin_width) - y_bins = np.arange(y_min, y_max + bin_width, bin_width) - - # estimate vmax on mean count of elements across bins - counts, _, _ = np.histogram2d( - pf_node["Vm"], - pf_node["Vm_pred_corrected"], - bins=[x_bins, y_bins], - ) - - counts[counts == 0] = np.nan - means = np.nanmean(counts) - std = np.nanstd(counts) - vmax = means + 3 * std - - # Pearson correlations - corr_vm, _ = pearsonr(pf_node["Vm"], pf_node["Vm_pred_corrected"]) - - # Create figure with shared x-axis - fig, ax1 = plt.subplots(figsize=(8, 6), dpi=400) - - # --- GridFM Mass Correlation --- - h1 = ax1.hist2d( - pf_node["Vm"], - pf_node["Vm_pred_corrected"], - bins=[x_bins, y_bins], - norm=LogNorm(vmin=vmin, vmax=vmax), - cmap="inferno", - ) - ax1.axvline(x_min + 0.05, color="black", linestyle="--", linewidth=2.0) - ax1.axhline(y_min + 0.05, color="black", linestyle="--", linewidth=2.0) - ax1.axvline(x_max - 0.05, color="black", linestyle="--", linewidth=2.0) - ax1.axhline(y_max - 0.05, color="black", linestyle="--", linewidth=2.0) - - ax1.plot([0, 5], [0, 5], "k--", linewidth=0.5) - ax1.set_xlabel("True Voltage Magnitude", fontsize=12) - ax1.set_ylabel("Predicted Voltage magnitude", fontsize=12) - ax1.set_title(label_plot, fontsize=14) - ax1.text( - 0.5, - 0.95, - f"r = {corr_vm:.5f}", - transform=ax1.transAxes, - fontsize=13, - weight="bold", - ha="center", - va="top", - ) - - # Colorbar - cbar = fig.colorbar(h1[3], ax=ax1, pad=0.02) - cbar.set_label("Number of samples", fontsize=10) - - # Style adjustments - ax1.set_xlim(x_min, x_max) - ax1.set_ylim(y_min, y_max) - ax1.grid(True, linewidth=0.3) - ax1.tick_params(axis="both", labelsize=10) - - plt.tight_layout() - plt.savefig( - f"mass_correlation_density_voltage_{prediction_dir}.png", - bbox_inches="tight", - ) - plt.show() diff --git a/pyproject.toml b/pyproject.toml index 51c8665..14eda0e 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -40,6 +40,17 @@ classifiers = [ dependencies = [ + "mlflow>=3.1.0", + "nbformat>=5.10.4", + "networkx>=3.4.2", + "numpy>=2.2.6", + "pandas>=2.3.0", + "plotly>=6.1.2", + "pyyaml>=6.0.2", + "torch>=2.7.1,<2.9", + "torch-geometric>=2.6.1", + "torchaudio>=2.7.1", + "torchvision>=0.22.1", "torch>2.0", "torch-geometric", "mlflow", diff --git a/tests/config/SE_simulate_measurements.yaml b/tests/config/SE_simulate_measurements.yaml new file mode 100644 index 0000000..be3cafb --- /dev/null +++ b/tests/config/SE_simulate_measurements.yaml @@ -0,0 +1,75 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: StateEstimation + noise_type: Gaussian + measurements: + power_inj: + mask_ratio: 0.2 + outlier_ratio: 0.1 + std: 0.02 + power_flow: + mask_ratio: 0.2 + outlier_ratio: 0.1 + std: 0.02 + vm: + mask_ratio: 0.2 + outlier_ratio: 0.1 + std: 0.02 + relative_measurement: true +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case14_ieee + scenarios: + - 100 + split_by_load_scenario_idx: true + test_ratio: 0.1 + val_ratio: 0.1 + workers: 1 +model: + attention_head: 8 + edge_dim: 10 + hidden_size: 48 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 12 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 32 + epochs: 1 + losses: + - LossPerDim + - LossPerDim + - LossPerDim + - LossPerDim + loss_weights: + - 0.35 + - 0.35 + - 0.1 + - 0.1 + loss_args: + - dim: VM + loss_str: MAE + - dim: VA + loss_str: MAE + - dim: P_in + loss_str: MAE + - dim: Q_in + loss_str: MAE + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/tests/config/datamodule_test_base_config.yaml b/tests/config/datamodule_test_base_config.yaml index eda7983..b81e733 100644 --- a/tests/config/datamodule_test_base_config.yaml +++ b/tests/config/datamodule_test_base_config.yaml @@ -1,18 +1,65 @@ -seed: 42 +callbacks: + patience: 100 + tol: 0 +task: + task_name: PowerFlow + noise_type: Gaussian + measurements: + power_inj: + mask_ratio: 0.2 + outlier_ratio: 0.1 + std: 0.02 + power_flow: + mask_ratio: 0.2 + outlier_ratio: 0.1 + std: 0.02 + vm: + mask_ratio: 0.2 + outlier_ratio: 0.1 + std: 0.02 + relative_measurement: true data: - networks: ["case30_ieee"] - scenarios: [10] - normalization: "baseMVAnorm" baseMVA: 100 - mask_type: "rnd" mask_value: 0.0 - mask_ratio: 0.5 - mask_dim: 6 - learn_mask: False - val_ratio: 0.2 - test_ratio: 0.2 - workers: 0 -training: - batch_size: 2 + normalization: HeteroDataMVANormalizer + networks: + - case14_ieee + scenarios: + - 72 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 1 + split_by_load_scenario_idx: true model: - pe_dim: 4 + attention_head: 2 + edge_dim: 10 + hidden_size: 16 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 2 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 4 + epochs: 1 + loss_weights: + - 0.1 + - 0.9 + losses: + - LayeredWeightedPhysics + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/tests/config/datamodule_test_base_config2.yaml b/tests/config/datamodule_test_base_config2.yaml new file mode 100644 index 0000000..4d8c577 --- /dev/null +++ b/tests/config/datamodule_test_base_config2.yaml @@ -0,0 +1,50 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: OptimalPowerFlow +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case14_ieee + scenarios: + - 72 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 1 + split_by_load_scenario_idx: true +model: + attention_head: 2 + edge_dim: 10 + hidden_size: 16 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 2 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 4 + epochs: 1 + loss_weights: + - 0.1 + - 0.9 + losses: + - LayeredWeightedPhysics + - MaskedBusMSE + loss_args: + - base_weight: 0.5 + - {} + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/tests/config/datamodule_test_base_config3.yaml b/tests/config/datamodule_test_base_config3.yaml new file mode 100644 index 0000000..ac0d2a9 --- /dev/null +++ b/tests/config/datamodule_test_base_config3.yaml @@ -0,0 +1,75 @@ +callbacks: + patience: 100 + tol: 0 +task: + task_name: StateEstimation + noise_type: Gaussian + measurements: + power_inj: + mask_ratio: 0.2 + outlier_ratio: 0.1 + std: 0.02 + power_flow: + mask_ratio: 0.2 + outlier_ratio: 0.1 + std: 0.02 + vm: + mask_ratio: 0.2 + outlier_ratio: 0.1 + std: 0.02 + relative_measurement: true +data: + baseMVA: 100 + mask_value: 0.0 + normalization: HeteroDataMVANormalizer + networks: + - case14_ieee + scenarios: + - 72 + test_ratio: 0.1 + val_ratio: 0.1 + workers: 1 + split_by_load_scenario_idx: true +model: + attention_head: 2 + edge_dim: 10 + hidden_size: 16 + input_bus_dim: 15 + input_gen_dim: 6 + output_bus_dim: 2 + output_gen_dim: 1 + num_layers: 2 + type: GNS_heterogeneous +optimizer: + beta1: 0.9 + beta2: 0.999 + learning_rate: 0.0005 + lr_decay: 0.7 + lr_patience: 5 +seed: 0 +training: + batch_size: 4 + epochs: 1 + losses: + - LossPerDim + - LossPerDim + - LossPerDim + - LossPerDim + loss_weights: + - 0.35 + - 0.35 + - 0.1 + - 0.1 + loss_args: + - dim: VM + loss_str: MAE + - dim: VA + loss_str: MAE + - dim: P_in + loss_str: MAE + - dim: Q_in + loss_str: MAE + accelerator: auto + devices: auto + strategy: auto +verbose: true diff --git a/tests/config/gridFMv0.1_dummy.yaml b/tests/config/gridFMv0.1_dummy.yaml deleted file mode 100644 index 88d52a5..0000000 --- a/tests/config/gridFMv0.1_dummy.yaml +++ /dev/null @@ -1,41 +0,0 @@ -callbacks: - patience: -1 - tol: 0 -data: - networks: ["case30_ieee"] - scenarios: [10] - normalization: "baseMVAnorm" - baseMVA: 100 - mask_type: "rnd" - mask_value: 0.0 - mask_ratio: 0.5 - mask_dim: 6 - learn_mask: False - val_ratio: 0.2 - test_ratio: 0.2 - workers: 0 -model: - attention_head: 8 - dropout: 0.1 - edge_dim: 2 - hidden_size: 64 - input_dim: 9 - num_layers: 8 - output_dim: 6 - pe_dim: 20 - type: GNN_TransformerConv -optimizer: - beta1: 0.9 - beta2: 0.999 - learning_rate: 1.0e-05 - lr_decay: 0.7 - lr_patience: 10 -seed: 200 -training: - batch_size: 2 - epochs: 1 - losses: ["MaskedMSE", "PBE", "MSE", "SCE"] - loss_weights: [0.25, 0.25, 0.25, 0.25] - accelerator: auto - devices: auto - strategy: auto diff --git a/tests/data/case14_ieee/raw/branch_data.parquet/scenario_partition=0/54e3c0dcc5074e739d692c4f1690930a-0.parquet b/tests/data/case14_ieee/raw/branch_data.parquet/scenario_partition=0/54e3c0dcc5074e739d692c4f1690930a-0.parquet new file mode 100644 index 0000000..6472158 Binary files /dev/null and b/tests/data/case14_ieee/raw/branch_data.parquet/scenario_partition=0/54e3c0dcc5074e739d692c4f1690930a-0.parquet differ diff --git 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-9,7.0,16.888138690370187,30.0,6.021628926535452e-11,30.27274066270189,0.9523666990512218,-10.734069097982111,0.0,1.0,0.0 -9,8.0,0.0,0.0,0.0,0.0,1.0067719270183604,-12.2003027193894,1.0,0.0,0.0 -9,9.0,3.265040146804903,2.0,0.0,0.0,0.9991640538505466,-13.190775578478934,1.0,0.0,0.0 -9,10.0,0.0,0.0,-3.4443859412731964e-10,23.801853832397303,1.0537542803929305,-12.200302719428096,0.0,1.0,0.0 -9,11.0,6.304905111071536,7.5,0.0,0.0,1.003379398568761,-13.354322789676262,1.0,0.0,0.0 -9,12.0,0.0,0.0,-2.0350926215456297e-11,16.913923642204782,1.0264487368122144,-13.354322789677852,0.0,1.0,0.0 -9,13.0,3.490215329343172,1.6,0.0,0.0,0.9898891128725404,-13.887712645821631,1.0,0.0,0.0 -9,14.0,4.616091242034518,2.5,0.0,0.0,0.9841475591051242,-13.90346191285745,1.0,0.0,0.0 -9,15.0,1.9702828472098552,1.8,0.0,0.0,0.9957071292086176,-13.40503634439104,1.0,0.0,0.0 -9,16.0,5.066441607111056,5.8,0.0,0.0,0.9935231643402288,-13.356806447486507,1.0,0.0,0.0 -9,17.0,1.8014014603061534,0.9,0.0,0.0,0.9662601094902338,-14.566712737888166,1.0,0.0,0.0 -9,18.0,5.347910585283892,3.4,0.0,0.0,0.9580957547486204,-14.859880236718633,1.0,0.0,0.0 -9,19.0,1.2384635039604803,0.7,0.0,0.0,0.996530840287467,-13.302017789725651,1.0,0.0,0.0 -9,20.0,9.851414236049276,11.2,0.0,0.0,0.9878445922762528,-13.414972873442752,1.0,0.0,0.0 -9,21.0,0.0,0.0,0.0,0.0,0.9880490422323536,-13.422356770860915,1.0,0.0,0.0 -9,22.0,1.8014014603061534,1.6,0.0,0.0,0.9772406732205496,-13.88406739305334,1.0,0.0,0.0 -9,23.0,4.897560220207354,6.7,0.0,0.0,0.9748883206036408,-13.695152867337487,1.0,0.0,0.0 -9,24.0,0.0,0.0,0.0,0.0,0.9675240295097244,-13.330106725601798,1.0,0.0,0.0 -9,25.0,1.9702828472098552,2.3,0.0,0.0,0.9530932798208092,-13.43174932721419,1.0,0.0,0.0 -9,26.0,0.0,0.0,0.0,0.0,0.9701346317447612,-13.014310162724646,1.0,0.0,0.0 -9,27.0,0.0,0.0,0.0,0.0,0.9515050137153092,-10.664926884621332,1.0,0.0,0.0 -9,28.0,1.3510510952296149,0.9,0.0,0.0,0.955859818168018,-13.696144747373364,1.0,0.0,0.0 -9,29.0,5.967142337264132,1.9,0.0,0.0,0.9480508772961312,-14.206997391719854,1.0,0.0,0.0 diff --git a/tests/data/reference_output_v0_1.npy b/tests/data/reference_output_v0_1.npy deleted file mode 100644 index 7b6d864..0000000 Binary files a/tests/data/reference_output_v0_1.npy and /dev/null differ diff --git a/tests/data/reference_output_v0_2.npy b/tests/data/reference_output_v0_2.npy deleted file mode 100644 index 7eff6a6..0000000 Binary files a/tests/data/reference_output_v0_2.npy and /dev/null differ diff --git a/tests/models/dummy_model.pt b/tests/models/dummy_model.pt new file mode 100644 index 0000000..79edcb8 Binary files /dev/null and b/tests/models/dummy_model.pt differ diff --git a/tests/test_data_module.py b/tests/test_data_module.py index 9379885..3a278f6 100644 --- a/tests/test_data_module.py +++ b/tests/test_data_module.py @@ -1,4 +1,4 @@ -from gridfm_graphkit.datasets.powergrid_datamodule import LitGridDataModule +from gridfm_graphkit.datasets.hetero_powergrid_datamodule import LitGridHeteroDataModule from gridfm_graphkit.io.param_handler import NestedNamespace import yaml import copy @@ -9,20 +9,18 @@ @pytest.mark.parametrize( - "normalization", - ["minmax", "standard", "baseMVAnorm", "identity"], + "task", + ["PowerFlow", "OptimalPowerFlow", "StateEstimation"], ) -@pytest.mark.parametrize("mask_type", ["rnd", "pf", "opf", "none"]) -def test_dataloaders(normalization, mask_type): +def test_dataloaders(task): cfg = copy.deepcopy(BASE_CONFIG) # Override values - cfg["data"]["normalization"] = normalization - cfg["data"]["mask_type"] = mask_type + cfg["task"]["task_name"] = task args = NestedNamespace(**cfg) - dm = LitGridDataModule(args, data_dir="tests/data") + dm = LitGridHeteroDataModule(args, data_dir="tests/data") # Lightning will inject trainer, but for testing we can fake it class DummyTrainer: diff --git a/tests/test_edge_flows.py b/tests/test_edge_flows.py new file mode 100644 index 0000000..3cfc4e1 --- /dev/null +++ b/tests/test_edge_flows.py @@ -0,0 +1,119 @@ +import torch +from gridfm_graphkit.datasets.normalizers import HeteroDataMVANormalizer +from gridfm_graphkit.io.param_handler import NestedNamespace +import yaml +from gridfm_graphkit.models.utils import ( + ComputeBranchFlow, + ComputeNodeInjection, + PhysicsDecoderSE, +) +from gridfm_graphkit.training.loss import LossPerDim +from gridfm_graphkit.datasets.globals import ( + VM_H, + VA_H, + P_E, + Q_E, +) +from torch_geometric.data import HeteroData + + +def test_edge_flows(): + data_dict = torch.load( + "tests/data/case14_ieee/processed/data_index_0.pt", + weights_only=True, + ) + data = HeteroData.from_dict(data_dict) + + node_stats = torch.load( + "tests/data/case14_ieee/processed/data_stats_HeteroDataMVANormalizer.pt", + weights_only=True, + ) + with open("tests/config/datamodule_test_base_config.yaml", "r") as f: + args = yaml.safe_load(f) + args = NestedNamespace(**args) + normalizer = HeteroDataMVANormalizer(args) + normalizer.fit_from_dict(node_stats) + normalizer.transform(data) + + bus_edge_index = data[("bus", "connects", "bus")].edge_index + bus_edge_attr = data[("bus", "connects", "bus")].edge_attr + branch_flow_layer = ComputeBranchFlow() + node_injection_layer = ComputeNodeInjection() + physics_decoder = PhysicsDecoderSE() + + Pft, Qft = branch_flow_layer( + data["bus"].x[:, [VM_H, VA_H]], + bus_edge_index, + bus_edge_attr, + ) + + assert torch.isclose(Pft, bus_edge_attr[:, P_E], atol=1e-4).all() + assert torch.isclose(Qft, bus_edge_attr[:, Q_E], atol=1e-4).all() + + P_in, Q_in = node_injection_layer( + Pft, + Qft, + bus_edge_index, + data["bus"].x.size(0), + ) + + output_temp = physics_decoder( + P_in, + Q_in, + data["bus"].y[:, [VM_H, VA_H]], + data["bus"].x, + None, + None, + ) + + pred_dict = {"bus": output_temp, "gen": data["gen"].y} + target_dict = {"bus": data["bus"].y, "gen": data["gen"].y} + edge_index = { + ("gen", "connected_to", "bus"): data[("gen", "connected_to", "bus")].edge_index, + } + assert ( + LossPerDim(NestedNamespace(**{"loss_str": "MAE", "dim": "VM"}), None)( + pred_dict, + target_dict, + edge_index, + None, + None, + )["loss"] + < 1e-4 + ) + assert ( + LossPerDim(NestedNamespace(**{"loss_str": "MAE", "dim": "VA"}), None)( + pred_dict, + target_dict, + edge_index, + None, + None, + )["loss"] + < 1e-4 + ) + assert ( + LossPerDim(NestedNamespace(**{"loss_str": "MAE", "dim": "P_in"}), None)( + pred_dict, + target_dict, + edge_index, + None, + None, + )["loss"] + < 1e-4 + ) + assert ( + LossPerDim(NestedNamespace(**{"loss_str": "MAE", "dim": "Q_in"}), None)( + pred_dict, + target_dict, + edge_index, + None, + None, + )["loss"] + < 1e-4 + ) + + print("hi") + + +if __name__ == "__main__": + test_edge_flows() diff --git a/tests/test_full_pipeline.py b/tests/test_full_pipeline.py deleted file mode 100644 index b80ac63..0000000 --- a/tests/test_full_pipeline.py +++ /dev/null @@ -1,82 +0,0 @@ -import unittest -from argparse import ArgumentParser -from gridfm_graphkit.cli import main_cli -from gridfm_graphkit.__main__ import main -from unittest import mock -import sys - - -class TestMLPipeline(unittest.TestCase): - def setUp(self): - # Default paths for tests - self.config = "tests/config/gridFMv0.1_dummy.yaml" - self.data_path = "tests/data" - self.log_dir = "tests/mlruns" - self.model_path = "examples/models/GridFM_v0_1.pth" - self.output_path = "tests/output" - self.exp_name = "pytest_exp" - self.run_name = "pytest_run" - - # Setup parser once - self.parser = ArgumentParser() - subparsers = self.parser.add_subparsers(dest="command", required=True) - for cmd in ["train", "finetune", "evaluate", "predict"]: - sp = subparsers.add_parser(cmd) - sp.add_argument("--config") - sp.add_argument("--data_path") - sp.add_argument("--log_dir") - sp.add_argument("--model_path") - sp.add_argument("--output_path") - sp.add_argument("--exp_name") - sp.add_argument("--run_name") - - def _run_cli(self, command): - args_list = [ - command, - "--config", - self.config, - "--data_path", - self.data_path, - "--log_dir", - self.log_dir, - "--exp_name", - self.exp_name, - "--run_name", - self.run_name, - ] - if command in ["finetune", "evaluate", "predict"]: - args_list += ["--model_path", self.model_path] - if command == "predict": - args_list += ["--output_path", self.output_path] - args = self.parser.parse_args(args_list) - main_cli(args) - - def test_train(self): - self._run_cli("train") - - def test_finetune(self): - self._run_cli("finetune") - - def test_evaluate(self): - self._run_cli("evaluate") - - def test_predict(self): - self._run_cli("predict") - - def test_entrypoint_train(self): - test_argv = [ - "gridfm_graphkit", - "train", - "--config", - self.config, - "--data_path", - self.data_path, - "--log_dir", - self.log_dir, - "--exp_name", - self.exp_name, - "--run_name", - self.run_name, - ] - with mock.patch.object(sys, "argv", test_argv): - main() diff --git a/tests/test_losses.py b/tests/test_losses.py index 827da06..dca7e29 100644 --- a/tests/test_losses.py +++ b/tests/test_losses.py @@ -1,8 +1,14 @@ import pytest import torch -from gridfm_graphkit.datasets.powergrid_datamodule import LitGridDataModule +from gridfm_graphkit.datasets.hetero_powergrid_datamodule import LitGridHeteroDataModule from gridfm_graphkit.io.param_handler import NestedNamespace -from gridfm_graphkit.training.loss import PBELoss +from gridfm_graphkit.datasets.globals import VM_H, VA_H, QG_H +from torch_scatter import scatter_add +from gridfm_graphkit.models.utils import ( + ComputeBranchFlow, + ComputeNodeInjection, + ComputeNodeResiduals, +) @pytest.fixture @@ -14,7 +20,7 @@ def small_grid_data_module(): config_dict = yaml.safe_load(f) args = NestedNamespace(**config_dict) - dm = LitGridDataModule(args, data_dir="tests/data") + dm = LitGridHeteroDataModule(args, data_dir="tests/data") # Fake trainer for setup class DummyTrainer: @@ -29,8 +35,43 @@ def test_pbe_loss_zero_with_real_data(small_grid_data_module): loader = small_grid_data_module.train_dataloader() batch = next(iter(loader)) - loss_fn = PBELoss() - out = loss_fn(batch.y, batch.y, batch.edge_index, batch.edge_attr, batch.mask) - assert torch.allclose(out["loss"], torch.tensor(0.0), atol=1e-5), ( - f"PBELoss is not zero! Got {out['loss'].item()}" + branch_flow_layer = ComputeBranchFlow() + node_injection_layer = ComputeNodeInjection() + node_residuals_layer = ComputeNodeResiduals() + + num_bus = batch.x_dict["bus"].size(0) + bus_edge_index = batch.edge_index_dict[("bus", "connects", "bus")] + bus_edge_attr = batch.edge_attr_dict[("bus", "connects", "bus")] + _, gen_to_bus_index = batch.edge_index_dict[("gen", "connected_to", "bus")] + + agg_gen_on_bus = scatter_add( + batch.y_dict["gen"], + gen_to_bus_index, + dim=0, + dim_size=num_bus, + ) + # output_agg = torch.cat([batch.y_dict["bus"], agg_gen_on_bus], dim=1) + target = torch.stack( + [ + batch.y_dict["bus"][:, VM_H], + batch.y_dict["bus"][:, VA_H], + agg_gen_on_bus.squeeze(), + batch.y_dict["bus"][:, QG_H], + ], + dim=1, + ) + + Pft, Qft = branch_flow_layer(target, bus_edge_index, bus_edge_attr) + P_in, Q_in = node_injection_layer(Pft, Qft, bus_edge_index, num_bus) + residual_P, residual_Q = node_residuals_layer( + P_in, + Q_in, + target, + batch.x_dict["bus"], + ) + assert torch.max(torch.abs(residual_P)) < 1e-4, ( + f"Active Residuals are not zero! {torch.max(torch.abs(residual_P))}" + ) + assert torch.max(torch.abs(residual_Q)) < 1e-4, ( + f"Reactive Residuals not zero! {torch.max(torch.abs(residual_Q))}" ) diff --git a/tests/test_model_outputs.py b/tests/test_model_outputs.py deleted file mode 100644 index 8568314..0000000 --- a/tests/test_model_outputs.py +++ /dev/null @@ -1,69 +0,0 @@ -import torch -import numpy as np -import pytest -import yaml -from gridfm_graphkit.io.param_handler import NestedNamespace -from gridfm_graphkit.tasks.feature_reconstruction_task import FeatureReconstructionTask - -# Device setup -device = torch.device("cuda" if torch.cuda.is_available() else "cpu") - -# Input shape config -num_nodes = 1 -x_dim = 9 -pe_dim = 20 -edge_attr_dim = 2 - -# List of models and reference files to check -models_to_test = [ - ( - "v0_1", - "examples/models/GridFM_v0_1.pth", - "tests/data/reference_output_v0_1.npy", - "examples/config/gridFMv0.1_pretraining.yaml", - ), - ( - "v0_2", - "examples/models/GridFM_v0_2.pth", - "tests/data/reference_output_v0_2.npy", - "examples/config/gridFMv0.2_pretraining.yaml", - ), -] - - -@pytest.mark.parametrize( - "version, model_path, ref_output_path, yaml_path", - models_to_test, -) -def test_model_matches_reference(version, model_path, ref_output_path, yaml_path): - torch.manual_seed(0) - with open(yaml_path) as f: - config_dict = yaml.safe_load(f) - - args = NestedNamespace(**config_dict) - - # Prepare zero input - x = torch.zeros((num_nodes, x_dim)) - pe = torch.zeros((num_nodes, pe_dim)) - edge_index = torch.tensor([[0], [0]]) - edge_attr = torch.zeros((1, edge_attr_dim)) - batch = torch.zeros(num_nodes, dtype=torch.long) - - # load model - model = FeatureReconstructionTask(args, None, None) - state_dict = torch.load(model_path) - model.load_state_dict(state_dict) - model.eval() - - # Get current output - with torch.no_grad(): - output = model(x, pe, edge_index, edge_attr, batch).cpu().numpy() - - # Load saved reference - reference = np.load(ref_output_path) - - # Exact match assertion - assert np.allclose(output, reference, rtol=1e-5, atol=1e-6), ( - f"Model output for {version} does not match reference within tolerance.\n" - f"Max absolute difference: {np.max(np.abs(output - reference))}" - ) diff --git a/tests/test_normalization.py b/tests/test_normalization.py deleted file mode 100644 index 97700e9..0000000 --- a/tests/test_normalization.py +++ /dev/null @@ -1,36 +0,0 @@ -import torch -import pytest -from gridfm_graphkit.io.registries import NORMALIZERS_REGISTRY -from gridfm_graphkit.datasets.normalizers import BaseMVANormalizer -from gridfm_graphkit.io.param_handler import NestedNamespace - - -@pytest.mark.parametrize("norm_name", list(NORMALIZERS_REGISTRY)) -@pytest.mark.parametrize("node_data", [True, False]) -def test_normalizer_roundtrip_registry(norm_name, node_data): - # Example input data - data = torch.randn(3, 6) - - # Dummy args as a dictionary and converted to NestedNamespace - args_dict = {"data": {"baseMVA": 100}} - args = NestedNamespace(**args_dict) - - norm = NORMALIZERS_REGISTRY.create(norm_name, node_data, args) - - # Fit and transform - if isinstance(norm, BaseMVANormalizer) and not node_data: - norm.fit(data, baseMVA=100) - else: - norm.fit(data) - - transformed = norm.transform(data.clone()) - restored = norm.inverse_transform(transformed.clone()) - - # Check round-trip equality - assert torch.allclose(restored, data, atol=1e-6), ( - f"Failed round-trip for {norm_name}" - ) - - # Check stats dict is present - stats = norm.get_stats() - assert isinstance(stats, dict), f"Stats not dict for {norm_name}" diff --git a/tests/test_pipeline.py b/tests/test_pipeline.py new file mode 100644 index 0000000..62b6920 --- /dev/null +++ b/tests/test_pipeline.py @@ -0,0 +1,106 @@ +import sys +from argparse import ArgumentParser +from unittest import mock + +import pytest + +from gridfm_graphkit.cli import main_cli +from gridfm_graphkit.__main__ import main + + +# ------------------------------------------------- +# Test configurations +# ------------------------------------------------- +CONFIGS = [ + "tests/config/datamodule_test_base_config.yaml", + "tests/config/datamodule_test_base_config2.yaml", + "tests/config/datamodule_test_base_config3.yaml", +] + +DATA_PATH = "tests/data" +LOG_DIR = "tests/mlruns" +MODEL_PATH = "tests/models/dummy_model.pt" +EXP_NAME = "pytest_exp" +RUN_NAME = "pytest_run" + + +# ------------------------------------------------- +# Fixtures +# ------------------------------------------------- +@pytest.fixture +def parser(): + """ + Argument parser matching the CLI. + """ + parser = ArgumentParser() + subparsers = parser.add_subparsers(dest="command", required=True) + + for cmd in ["train", "finetune", "evaluate"]: + sp = subparsers.add_parser(cmd) + sp.add_argument("--config") + sp.add_argument("--data_path") + sp.add_argument("--log_dir") + sp.add_argument("--model_path") + sp.add_argument("--exp_name") + sp.add_argument("--run_name") + + return parser + + +# ------------------------------------------------- +# CLI command tests +# ------------------------------------------------- +@pytest.mark.parametrize("config", CONFIGS) +@pytest.mark.parametrize("command", ["train", "finetune", "evaluate"]) +def test_cli_commands(parser, config, command): + """ + Test main_cli() directly for all commands and configs. + """ + args_list = [ + command, + "--config", + config, + "--data_path", + DATA_PATH, + "--log_dir", + LOG_DIR, + "--exp_name", + EXP_NAME, + "--run_name", + RUN_NAME, + ] + + if command in ["finetune", "evaluate"]: + args_list += ["--model_path", MODEL_PATH] + + args = parser.parse_args(args_list) + + # Should run without raising + main_cli(args) + + +# ------------------------------------------------- +# Entrypoint (__main__) test +# ------------------------------------------------- +@pytest.mark.parametrize("config", CONFIGS) +def test_entrypoint_train(config): + """ + Test the console entrypoint: python -m gridfm_graphkit train ... + """ + test_argv = [ + "gridfm_graphkit", + "train", + "--config", + config, + "--data_path", + DATA_PATH, + "--log_dir", + LOG_DIR, + "--exp_name", + EXP_NAME, + "--run_name", + RUN_NAME, + ] + + with mock.patch.object(sys, "argv", test_argv): + main() diff --git a/tests/test_simulate_measurements.py b/tests/test_simulate_measurements.py new file mode 100644 index 0000000..863be88 --- /dev/null +++ b/tests/test_simulate_measurements.py @@ -0,0 +1,97 @@ +import torch +import yaml +from gridfm_graphkit.datasets.masking import SimulateMeasurements +from gridfm_graphkit.datasets.normalizers import HeteroDataMVANormalizer +from gridfm_graphkit.io.param_handler import NestedNamespace +from copy import deepcopy +from torch_geometric.data import HeteroData +from gridfm_graphkit.datasets.globals import ( + # Bus feature indices + PD_H, + QD_H, + QG_H, + VA_H, + VM_H, + # Generator feature indices + PG_H, + # Edge feature indices + P_E, + Q_E, +) + + +def test_simulate_measurements(): + data_dict = torch.load( + "tests/data/case14_ieee/processed/data_index_0.pt", + weights_only=True, + ) + data = HeteroData.from_dict(data_dict) + node_stats = torch.load( + "tests/data/case14_ieee/processed/data_stats_HeteroDataMVANormalizer.pt", + weights_only=True, + ) + with open("tests/config/SE_simulate_measurements.yaml", "r") as f: + args = yaml.safe_load(f) + args = NestedNamespace(**args) + normalizer = HeteroDataMVANormalizer(args) + normalizer.fit_from_dict(node_stats) + normalizer.transform(data) + transform = SimulateMeasurements(args) + out = transform(deepcopy(data)) + + # Check that targets are not modified + assert torch.isclose(out["bus"].y, data["bus"].y).all() + assert torch.isclose(out["gen"].y, data["gen"].y).all() + + # Check that values different from PD, QD, QG, VM, VA (bus), PG (Gen) and + # P_E, Q_E (edge_attr) have not been modified + assert torch.isclose( + out["bus"].x[:, VA_H + 1 :], + data["bus"].x[:, VA_H + 1 :], + ).all() + assert torch.isclose( + out["gen"].x[:, PG_H + 1 :], + data["gen"].x[:, PG_H + 1 :], + ).all() + assert torch.isclose( + out[("bus", "connects", "bus")]["edge_attr"][:, Q_E + 1 :], + data[("bus", "connects", "bus")]["edge_attr"][:, Q_E + 1 :], + ).all() + + # Check that masked values have not been modified + mask_bus = out.mask_dict["bus"][:, [PD_H, QD_H, QG_H, VM_H, VA_H]] + assert torch.isclose( + out["bus"].x[:, [PD_H, QD_H, QG_H, VM_H, VA_H]][mask_bus], + data["bus"].x[:, [PD_H, QD_H, QG_H, VM_H, VA_H]][mask_bus], + ).all() + + mask_gen = out.mask_dict["gen"][:, [PG_H]] + assert torch.isclose( + out["gen"].x[:, [PG_H]][mask_gen], + data["gen"].x[:, [PG_H]][mask_gen], + ).all() + + mask_branch = out.mask_dict["branch"][:, [P_E, Q_E]] + assert torch.isclose( + out[("bus", "connects", "bus")]["edge_attr"][:, [P_E, Q_E]][mask_branch], + data[("bus", "connects", "bus")]["edge_attr"][:, [P_E, Q_E]][mask_branch], + ).all() + + # Check that the masked values have inf std associated + mask_bus_small = out.mask_dict["bus"][:, : out.mask_dict["std_bus"].size(1)] + mask_gen_small = out.mask_dict["gen"][:, : out.mask_dict["std_gen"].size(1)] + mask_branch_small = out.mask_dict["branch"][ + :, + : out.mask_dict["std_branch"].size(1), + ] + assert (mask_bus_small == torch.isinf(out.mask_dict["std_bus"])).all() + assert (mask_gen_small == torch.isinf(out.mask_dict["std_gen"])).all() + assert (mask_branch_small == torch.isinf(out.mask_dict["std_branch"])).all() + + # Check that outliers are not masked + assert (~mask_bus_small >= out.mask_dict["outliers_bus"]).all() + assert (~mask_branch_small >= out.mask_dict["outliers_branch"]).all() + + +if __name__ == "__main__": + test_simulate_measurements() diff --git a/tests/test_yaml_configs.py b/tests/test_yaml_configs.py index 844d937..d77577c 100644 --- a/tests/test_yaml_configs.py +++ b/tests/test_yaml_configs.py @@ -5,7 +5,9 @@ load_normalizer, get_loss_function, load_model, - get_transform, + get_task, + get_task_transforms, + get_physics_decoder, NestedNamespace, ) @@ -17,32 +19,9 @@ def test_yaml_config_valid(yaml_path): args = NestedNamespace(**config_dict) # Call your param handler functions; they should not raise exceptions - load_normalizer(args) - get_transform(args) - if hasattr(args, "model"): - load_model(args) - if hasattr(args, "training") and hasattr(args.training, "losses"): - get_loss_function(args) - - -def test_nested_namespace_with_list_and_flatten(): - cfg = { - "seed": 42, - "data": {"networks": ["case30_ieee", "case118_ieee"]}, - "training": {"batch_size": 16}, - } - - ns = NestedNamespace(**cfg) - - # Direct attribute and list access - assert ns.seed == 42 - assert ns.data.networks[0] == "case30_ieee" - - # Round-trip back to dict - assert ns.to_dict() == cfg - - # Flatten with default and custom separators - flat = ns.flatten() - assert flat["training.batch_size"] == 16 - assert flat["data.networks"] == ["case30_ieee", "case118_ieee"] - assert ns.flatten(sep="/")["data/networks"] == ["case30_ieee", "case118_ieee"] + normalizer = load_normalizer(args) + get_task(args, normalizer) + load_model(args) + get_loss_function(args) + get_task_transforms(args) + get_physics_decoder(args)