import math import matplotlib.pyplot as plt import numpy as np from graph_tool.all import * from src import centrality from src import plot from src import fitting def degree(g, weight): # VertexPropertyMap vp = g.new_vertex_property("double") for v in g.vertices(): neighbours = g.get_all_neighbours(v) vp[v] = len(neighbours) return vp def leverage(g, weight): # VertexPropertyMap vp = g.new_vertex_property("double") for v in g.vertices(): li = 0.0 neighbours = g.get_all_neighbours(v) ki = len(neighbours) # sum for nv in neighbours: other_neighbours = g.get_all_neighbours(nv) kj = len(other_neighbours) li += (ki - kj) / (ki + kj) li /= ki vp[v] = li return vp def random_graph(n=5000, seed=None): """ Uniformly random point cloud generation. `n` [int] Number of points to generate. Default 5000 seems like a good starting point in point density and corresponding runtime for the subsequent calculations. @return [numpy.ndarray] Array of shape(n, 2) containing the coordinates for each point of the generated point cloud. """ if seed is None: import secrets seed = secrets.randbits(128) rng = np.random.default_rng(seed=seed) return rng.random((n, 2)), seed def sub_spatial_graph(adata, percentage): sub_adata = np.array([]) distance_of_center = 0.5 * percentage for point in adata: if point[0] > 0.5 - distance_of_center and point[0] <= 0.5 + distance_of_center: if point[1] > 0.5 - distance_of_center and point[1] <= 0.5 + distance_of_center: sub_adata = np.append(sub_adata, [point[0], point[1]]) sub_adata = sub_adata.reshape(sub_adata.shape[0] // 2, 2) return spatial_graph(sub_adata) def spatial_graph(adata): """ Generate the spatial graph using delaunay for the given `adata`. `adata` will contain the calculated spatial graph contents in the keys adata.obsm['spatial']` in case the `adata` is created from a dataset of *squidpy*. @return [Graph] generated networkx graph from adata.obsp['spatial_distances'] """ g, pos = graph_tool.generation.triangulation(adata, type="delaunay") g.vp["pos"] = pos weight = g.new_edge_property("double") for e in g.edges(): weight[e] = math.sqrt(sum(map(abs, pos[e.source()].a - pos[e.target()].a)))**2 return g, weight def plot_graph_diff(G, c, fig, ax, name, cmap=plt.cm.plasma): pos = G.vp["pos"] x = [] y = [] distance_of_center = 0.5 * percentage for v in G.vertices(): ver = pos[v] if ver[0] > 0.5 - distance_of_center and ver[0] <= 0.5 + distance_of_center: if ver[1] > 0.5 - distance_of_center and ver[1] <= 0.5 + distance_of_center: x.append(ver[0]) y.append(ver[1]) sc = ax.scatter(x, y, s=1, cmap=cmap, c=c) # map closeness values as color mapping on the verticies ax.set_title(name) fig.colorbar(sc, ax=ax) def apply(g, seed, weight, convex_hull, ax, method, method_name): # calculate centrality values vp = None if method_name == "Betweenness": vp, ep = method(g, weight=weight) elif method_name == "Eigenvector": ep, vp = method(g, weight=weight) elif method_name == "Hits": ep, vp, hub_centrality = method(g, weight=weight) else: vp = method(g, weight=weight) vp.a = np.nan_to_num(vp.a) # correct floating point values # generate model based on convex hull and associated centrality values quantification = plot.quantification_data(g, vp, convex_hull) # optimize model's piece-wise linear function d = quantification[:, 0] C = quantification[:, 1] m_opt, c0_opt, b_opt, aic_opt = fitting.fit_piece_wise_linear(d, C) # TODO # should this be part of the plotting function itself, it should not be necessary for me to do this d_curve = np.linspace(min(d), max(d), 500) C_curve = np.piecewise( d_curve, [d_curve <= b_opt, d_curve > b_opt], [lambda x: m_opt * x + c0_opt, lambda x: m_opt * b_opt + c0_opt] ) # plot model containing modeled piece-wise linear function if ax is not None: plot.quantification_plot(ax, quantification, d_curve, C_curve, method_name, aic_opt) # normalization min_val, max_val = vp.a.min(), vp.a.max() vp.a = (vp.a - min_val) / (max_val - min_val) return vp def apply_corrected(g, seed, weight, convex_hull, ax, method, method_name): # calculate centrality values vp = None ep = None if method_name == "Betweenness": vp, ep = method(g, weight=weight) elif method_name == "Eigenvector": ep, vp = method(g, weight=weight) elif method_name == "Hits": ep, vp, hub_centrality = method(g, weight=weight) else: vp = method(g, weight=weight) vp.a = np.nan_to_num(vp.a) # correct floating point values # normalization # min_val, max_val = vp.a.min(), vp.a.max() # vp.a = (vp.a - min_val) / (max_val - min_val) # generate model based on convex hull and associated centrality values quantification = plot.quantification_data(g, vp, convex_hull) # optimize model's piece-wise linear function d = quantification[:, 0] C = quantification[:, 1] m_opt, c0_opt, b_opt, aic_opt = fitting.fit_piece_wise_linear(d, C) d_curve = np.linspace(min(d), max(d), 500) C_curve = np.piecewise( d_curve, [d_curve <= b_opt, d_curve > b_opt], [lambda x: m_opt * x + c0_opt, lambda x: m_opt * b_opt + c0_opt] ) # plot model containing modeled piece-wise linear function if ax is not None: plot.quantification_plot(ax, quantification, d_curve, C_curve, method_name, aic_opt) vp = centrality.correct(g, vp, m_opt, c0_opt, b_opt) # normalization min_val, max_val = vp.a.min(), vp.a.max() vp.a = (vp.a - min_val) / (max_val - min_val) return vp # # - Create a random point cloud and calculate a triangulation on it # - For that graph calculate the convex hull # - Draw the graph with the convex hull # - For each centrality measure # - apply centrality measure to the next axis # - Draw the corresponding resulting models into a grid # points, seed = random_graph(n=5000) g, weight = spatial_graph(points) g = GraphView(g) # calculate convex hull convex_hull = centrality.convex_hull(g) # plot graph with convex_hull fig_graph, ax_graph = plt.subplots(figsize=(15, 12)) # draw without any centrality measure `vp` vp, ep = betweenness(g, weight=weight) plot.graph_plot(fig_graph, ax_graph, g, vp, convex_hull, f"Pointcloud (seed: {seed})") fig_graph.savefig("model_prediction_graph_original_betweenness_5000.svg", format='svg') # normalization min_val, max_val = vp.a.min(), vp.a.max() vp.a = (vp.a - min_val) / (max_val - min_val) vp_betweenness_original = vp for percentage in np.arange(0.1, 1, 0.1, dtype=float): print(f"Percentage: {percentage:.0%}") g_sub, weight_sub = sub_spatial_graph(points, percentage) g_sub = GraphView(g_sub) convex_hull = centrality.convex_hull(g_sub) # draw subgraph fig_sub = plt.figure(figsize=(25, 12)) ax1, ax2 = fig_sub.subplots(1, 2) vp, ep = betweenness(g_sub, weight=weight_sub) plot.graph_plot(fig_sub, ax1, g_sub, vp, convex_hull, f"{percentage:.0%} of Pointcloud (seed: {seed})") min_val, max_val = vp.a.min(), vp.a.max() vp.a = (vp.a - min_val) / (max_val - min_val) vp_betweenness_corrected = apply_corrected(g_sub, seed, weight_sub, convex_hull, None, betweenness, "Betweenness") plot.graph_plot(fig_sub, ax2, g_sub, vp_betweenness_corrected, convex_hull, f"{percentage:.0%} of Pointcloud with applied prediction") fig_sub.savefig(f"model_prediction_subgraph_betweenness_5000_{percentage * 100:.0f}_percent.svg", format='svg') distance_of_center = 0.5 * percentage sub_keys = iter(g_sub.vertices()) keys = iter(g.vertices()) scores = [] raw_sub_scores = [] sub_scores = [] raw_diff_scores = [] diff_scores = [] for sub_key in sub_keys: key = next(keys) position = g.vp["pos"][key] while not (position[0] > 0.5 - distance_of_center and position[0] <= 0.5 + distance_of_center and position[1] > 0.5 - distance_of_center and position[1] <= 0.5 + distance_of_center): key = next(keys) position = g.vp["pos"][key] # NOTE print corresponding position (which are identical) # position = g.vp["pos"][key] # sub_position = g_sub.vp["pos"][sub_key] # print(f"position: {position} | sub_position: {sub_position}") # calculate for betweenness value = vp_betweenness_original[key] pre_prediction = vp[sub_key] sub_value = vp_betweenness_corrected[sub_key] scores.append(value) raw_sub_scores.append(pre_prediction) sub_scores.append(sub_value) raw_diff_scores.append(value - pre_prediction) diff_scores.append(value - sub_value) median_score = np.median(scores) median_raw_sub_score = np.median(raw_sub_scores) median_sub_score = np.median(sub_scores) print(f"\tmedian score: {median_score}") print(f"\tmedian raw_sub_score: {median_raw_sub_score}") print(f"\tmedian sub_score: {median_sub_score}") print(f"\tmedian delta (score - raw_sub_score): {(median_score - median_raw_sub_score)}") print(f"\tmedian delta (score - sub_score): {(median_score - median_sub_score)}") print("") max_value_score = np.max(scores) max_value_raw_sub_score = np.max(raw_sub_scores) max_value_sub_score = np.max(sub_scores) print(f"\tmax value score: {max_value_score}") print(f"\tmax value raw_sub_score: {max_value_raw_sub_score}") print(f"\tmax value sub_score: {max_value_sub_score}") print(f"\tmax value delta (score - raw_sub_score): {(max_value_score - max_value_raw_sub_score)}") print(f"\tmax value delta (score - sub_score): {(max_value_score - max_value_sub_score)}") print("") min_value_score = np.min(scores) min_value_raw_sub_score = np.min(raw_sub_scores) min_value_sub_score = np.min(sub_scores) print(f"\tmin value score: {min_value_score}") print(f"\tmin value raw_sub_score: {min_value_raw_sub_score}") print(f"\tmin value sub_score: {min_value_sub_score}") print(f"\tmin value delta (score - raw_sub_score): {(min_value_score - min_value_raw_sub_score)}") print(f"\tmin value delta (score - sub_score): {(min_value_score - min_value_sub_score)}") print("") fig = plt.figure(figsize=(35, 10)) plot_graph_ax, plot_sub_graph_ax, plot_sub_graph_before_ax = fig.subplots(1, 3) plot_graph_diff(g, scores, fig, plot_graph_ax, "Original Graph (region of sub graph)") plot_graph_diff(g, diff_scores, fig, plot_sub_graph_ax, "Differences after correction of sub graph compared to original graph", plt.cm.seismic) plot_graph_diff(g, vp.a, fig, plot_sub_graph_before_ax, "Sub Graph (extracted region of original graph) without correction") fig.savefig(f"model_prediction_subgraph_betweenness_5000_{percentage * 100:.0f}_percentage_diff.svg", format='svg')