""" Neighbor Search for Graph Neural Operators =========================================== This tutorial demonstrates neighbor search algorithms used in Graph Neural Operators (GNO). Neighbor search is crucial for: - Finding spatial relationships in irregular point clouds - Computing Nyström approximations of kernel integrals - Enabling GNO to work with arbitrary point cloud data - Implementing efficient spatial queries for neural operators The tutorial covers the `native_neighbor_search` function and its role in GNO architectures. """ # %% # .. raw:: html # #
# # Import dependencies # ------------------- # We import the necessary modules for neighbor search and visualization import random import matplotlib.pyplot as plt import torch from neuralop.layers.gno_block import GNOBlock from neuralop.layers.neighbor_search import native_neighbor_search from neuralop.layers.embeddings import regular_grid_2d device = "cpu" # %% # .. raw:: html # #
# # Understanding Graph Neural Operators and neighbor search # -------------------------------------------------------- # Many problems involve data collected over irregular point clouds. # The Graph Neural Operator (GNO) is a neural operator architecture # that learns mappings between functions evaluated on arbitrary point clouds. # # For input coordinates Y, input function f evaluated at all y ∈ Y, # and output coordinates X, our goal is to map to function g evaluated at all x ∈ X. # The GNO computes the Nyström approximation of a continuous kernel integral: # ∫_{N_r(x)} f(y) k(x,y) dy # # The first step is neighbor search to find spatial relationships. # %% # .. raw:: html # #
# # Setting up the point cloud data # -------------------------------- # We create a regular grid of input coordinates and random output query points # to demonstrate the neighbor search functionality. # Create a regular 8x8 grid of input coordinates input_coords = ( torch.stack(regular_grid_2d(spatial_dims=(8, 8))).permute(1, 2, 0).view(-1, 2) ) # Generate random output query points output_queries = torch.rand([50, 2]) # Visualize the input coordinates and query points plt.scatter( input_coords[:, 0], input_coords[:, 1], color="orange", label="Input coordinates", s=50, ) plt.scatter( output_queries[:, 0], output_queries[:, 1], color="blue", label="Output queries", s=30, ) plt.legend() plt.title("Input coordinates and output query points") plt.xlabel("x") plt.ylabel("y") plt.show() # %% # .. raw:: html # #
# # Performing neighbor search # --------------------------- # We select a query point and find all input coordinates within a specified radius. # This demonstrates how the neighbor search algorithm identifies spatial relationships. query_index = 6 query_point = output_queries[query_index] # Perform neighbor search with radius 0.25 # Note: This radius is relatively large for our data density. # In practice, we typically use values that find around 10 neighbors. nbr_data = native_neighbor_search( data=input_coords, queries=query_point.unsqueeze(0), radius=0.25 ) # %% # .. raw:: html # #
# # Visualizing the neighbor search results # -------------------------------------- # We plot the query point, its neighbors, and the search radius to understand # how the neighbor search algorithm works. fig, ax = plt.subplots() neighbors = input_coords[nbr_data["neighbors_index"]] ax.scatter( input_coords[:, 0], input_coords[:, 1], color="blue", label="Input coordinates" ) ax.scatter( query_point[0], query_point[1], color="red", marker="*", s=200, label="Query point" ) ax.scatter(neighbors[:, 0], neighbors[:, 1], color="green", label="Neighbors of query") c = plt.Circle(query_point, radius=0.25, fill=False) ax.add_patch(c) ax.legend() ax.set_xlim(0, 1) ax.set_ylim(0, 1)