@graphty/algorithms 1.0.1 → 1.2.0

package/src/research/sync.ts

@@ -0,0 +1,469 @@
+import type {Graph} from "../core/graph.js";
+import type {NodeId} from "../types/index.js";
+
+/**
+ * Configuration options for the SynC (Synergistic Deep Graph Clustering) algorithm
+ */
+export interface SynCConfig {
+    /** Number of clusters to find */
+    numClusters: number;
+    /** Maximum number of iterations for convergence */
+    maxIterations?: number;
+    /** Convergence tolerance */
+    tolerance?: number;
+    /** Random seed for reproducibility */
+    seed?: number;
+    /** Learning rate for optimization */
+    learningRate?: number;
+    /** Regularization parameter */
+    lambda?: number;
+}
+
+/**
+ * Result of the SynC clustering algorithm
+ */
+export interface SynCResult {
+    /** Cluster assignments for each node */
+    clusters: Map<NodeId, number>;
+    /** Final loss value */
+    loss: number;
+    /** Number of iterations performed */
+    iterations: number;
+    /** Node embeddings learned by the algorithm */
+    embeddings: Map<NodeId, number[]>;
+    /** Whether the algorithm converged */
+    converged: boolean;
+}
+
+/**
+ * Synergistic Deep Graph Clustering (SynC) Algorithm
+ *
+ * This algorithm combines representation learning with structure augmentation
+ * for improved clustering performance on graphs. It jointly optimizes node
+ * embeddings and cluster assignments while preserving graph structure.
+ *
+ * Based on: "Synergistic Deep Graph Clustering" (arXiv:2406.15797, June 2024)
+ *
+ * @param graph - Input graph to cluster
+ * @param config - Configuration options
+ * @returns Clustering result with assignments and embeddings
+ */
+export function syncClustering(graph: Graph, config: SynCConfig): SynCResult {
+    const {
+        numClusters,
+        maxIterations = 100,
+        tolerance = 1e-6,
+        seed = 42,
+        learningRate = 0.01,
+        lambda = 0.1,
+    } = config;
+
+    // Set random seed for reproducibility (save original)
+    const originalRandom = Math.random;
+    Math.random = seedRandom(seed);
+
+    const nodes = Array.from(graph.nodes());
+    const nodeCount = nodes.length;
+
+    if (nodeCount === 0) {
+        return {
+            clusters: new Map(),
+            loss: 0,
+            iterations: 0,
+            embeddings: new Map(),
+            converged: true,
+        };
+    }
+
+    if (numClusters <= 0 || numClusters > nodeCount) {
+        throw new Error(`Invalid number of clusters: ${String(numClusters)}. Must be between 1 and ${String(nodeCount)}`);
+    }
+
+    // Initialize node embeddings (simplified version using graph features)
+    const embeddingDim = Math.min(64, nodeCount);
+    const embeddings = new Map<NodeId, number[]>();
+
+    // Initialize embeddings based on node features
+    for (const node of nodes) {
+        const embedding = initializeNodeEmbedding(graph, node.id, embeddingDim);
+        embeddings.set(node.id, embedding);
+    }
+
+    // Initialize cluster centers
+    const clusterCenters = initializeClusterCenters(embeddings, numClusters);
+
+    let previousLoss = Infinity;
+    let iterations = 0;
+    let converged = false;
+
+    for (iterations = 0; iterations < maxIterations; iterations++) {
+        // E-step: Assign nodes to clusters
+        const clusters = new Map<NodeId, number>();
+
+        for (const node of nodes) {
+            const nodeEmbedding = embeddings.get(node.id);
+            if (!nodeEmbedding) {
+                continue;
+            }
+
+            let bestCluster = 0;
+            let minDistance = Infinity;
+
+            for (let k = 0; k < numClusters; k++) {
+                const center = clusterCenters[k];
+                if (!center) {
+                    continue;
+                }
+
+                const distance = euclideanDistance(nodeEmbedding, center);
+                if (distance < minDistance) {
+                    minDistance = distance;
+                    bestCluster = k;
+                }
+            }
+
+            clusters.set(node.id, bestCluster);
+        }
+
+        // M-step: Update embeddings and cluster centers
+        updateEmbeddings(graph, embeddings, clusters, learningRate, lambda);
+        updateClusterCenters(embeddings, clusters, clusterCenters, numClusters);
+
+        // Calculate current loss
+        const currentLoss = calculateLoss(graph, embeddings, clusters, clusterCenters, lambda);
+
+        // Check for convergence
+        if (Math.abs(previousLoss - currentLoss) < tolerance) {
+            converged = true;
+            break;
+        }
+
+        previousLoss = currentLoss;
+    }
+
+    // Final cluster assignment
+    const finalClusters = new Map<NodeId, number>();
+    for (const node of nodes) {
+        const nodeEmbedding = embeddings.get(node.id);
+        if (!nodeEmbedding) {
+            continue;
+        }
+
+        let bestCluster = 0;
+        let minDistance = Infinity;
+
+        for (let k = 0; k < numClusters; k++) {
+            const center = clusterCenters[k];
+            if (!center) {
+                continue;
+            }
+
+            const distance = euclideanDistance(nodeEmbedding, center);
+            if (distance < minDistance) {
+                minDistance = distance;
+                bestCluster = k;
+            }
+        }
+
+        finalClusters.set(node.id, bestCluster);
+    }
+
+    // Restore original random function
+    Math.random = originalRandom;
+
+    return {
+        clusters: finalClusters,
+        loss: previousLoss,
+        iterations: iterations + 1,
+        embeddings,
+        converged,
+    };
+}
+
+/**
+ * Initialize node embedding based on graph structure and features
+ */
+function initializeNodeEmbedding(graph: Graph, nodeId: NodeId, dim: number): number[] {
+    const embedding = new Array<number>(dim).fill(0);
+
+    // Use node degree as a base feature
+    const degree = graph.degree(nodeId);
+    const normalizedDegree = degree / Math.max(1, graph.nodeCount - 1);
+
+    // Initialize with small random values influenced by graph structure
+    for (let i = 0; i < dim; i++) {
+        embedding[i] = ((Math.random() - 0.5) * 0.1) + (normalizedDegree * 0.1);
+    }
+
+    return embedding;
+}
+
+/**
+ * Initialize cluster centers using k-means++ style initialization
+ */
+function initializeClusterCenters(embeddings: Map<NodeId, number[]>, numClusters: number): number[][] {
+    const embeddingArray = Array.from(embeddings.values());
+    const centers: number[][] = [];
+
+    // Choose first center randomly
+    const firstCenter = embeddingArray[Math.floor(Math.random() * embeddingArray.length)];
+    if (firstCenter) {
+        centers.push([... firstCenter] as number[]);
+    }
+
+    // Choose remaining centers using k-means++ initialization
+    for (let k = 1; k < numClusters; k++) {
+        const distances: number[] = [];
+        let totalDistance = 0;
+
+        for (const embedding of embeddingArray) {
+            let minDistance = Infinity;
+            for (const center of centers) {
+                const distance = euclideanDistance(embedding, center);
+                minDistance = Math.min(minDistance, distance);
+            }
+            distances.push(minDistance * minDistance);
+            totalDistance += minDistance * minDistance;
+        }
+
+        // Choose next center with probability proportional to squared distance
+        let randomValue = Math.random() * totalDistance;
+        for (let i = 0; i < embeddingArray.length; i++) {
+            const distanceValue = distances[i];
+            if (distanceValue !== undefined) {
+                randomValue -= distanceValue;
+            }
+
+            if (randomValue <= 0) {
+                const newCenter = embeddingArray[i];
+                if (newCenter) {
+                    centers.push([... newCenter] as number[]);
+                }
+
+                break;
+            }
+        }
+    }
+
+    return centers;
+}
+
+/**
+ * Update node embeddings using gradient descent
+ */
+function updateEmbeddings(
+    graph: Graph,
+    embeddings: Map<NodeId, number[]>,
+    clusters: Map<NodeId, number>,
+    learningRate: number,
+    lambda: number,
+): void {
+    const gradients = new Map<NodeId, number[]>();
+
+    // Initialize gradients
+    for (const [nodeId, embedding] of embeddings) {
+        gradients.set(nodeId, new Array<number>(embedding.length).fill(0));
+    }
+
+    // Calculate gradients based on graph structure (simplified)
+    for (const node of graph.nodes()) {
+        const nodeId = node.id;
+        const nodeEmbedding = embeddings.get(nodeId);
+        if (!nodeEmbedding) {
+            continue;
+        }
+
+        const gradient = gradients.get(nodeId);
+        if (!gradient) {
+            continue;
+        }
+
+        // Neighbor reconstruction loss gradient
+        for (const neighborId of graph.neighbors(nodeId)) {
+            const neighborEmbedding = embeddings.get(neighborId);
+            if (!neighborEmbedding) {
+                continue;
+            }
+
+            const diff = nodeEmbedding.map((val: number, i: number) => val - (neighborEmbedding[i] ?? 0));
+
+            for (let i = 0; i < gradient.length; i++) {
+                const gradVal = gradient[i];
+                const diffVal = diff[i];
+                if (gradVal !== undefined && diffVal !== undefined) {
+                    gradient[i] = gradVal + (lambda * diffVal);
+                }
+            }
+        }
+
+        // Regularization gradient
+        for (let i = 0; i < gradient.length; i++) {
+            const gradVal = gradient[i];
+            const nodeVal = nodeEmbedding[i];
+            if (gradVal !== undefined && nodeVal !== undefined) {
+                gradient[i] = gradVal + (lambda * nodeVal);
+            }
+        }
+    }
+
+    // Update embeddings
+    for (const [nodeId, embedding] of embeddings) {
+        const gradient = gradients.get(nodeId);
+        if (!gradient) {
+            continue;
+        }
+
+        for (let i = 0; i < embedding.length; i++) {
+            const embVal = embedding[i];
+            const gradVal = gradient[i];
+            if (embVal !== undefined && gradVal !== undefined) {
+                embedding[i] = embVal - (learningRate * gradVal);
+            }
+        }
+    }
+}
+
+/**
+ * Update cluster centers based on current assignments
+ */
+function updateClusterCenters(
+    embeddings: Map<NodeId, number[]>,
+    clusters: Map<NodeId, number>,
+    clusterCenters: number[][],
+    numClusters: number,
+): void {
+    const dimensions = clusterCenters[0]?.length ?? 0;
+    const clusterSums: number[][] = Array.from({length: numClusters}, () =>
+        new Array(dimensions).fill(0) as number[],
+    );
+    const clusterCounts = new Array<number>(numClusters).fill(0);
+
+    // Sum embeddings for each cluster
+    for (const [nodeId, clusterIdx] of clusters) {
+        const embedding = embeddings.get(nodeId);
+        if (!embedding) {
+            continue;
+        }
+
+        for (let i = 0; i < embedding.length; i++) {
+            const clusterSum = clusterSums[clusterIdx];
+            if (!clusterSum) {
+                continue;
+            }
+
+            const sumVal = clusterSum[i];
+            const embVal = embedding[i];
+            if (sumVal !== undefined && embVal !== undefined) {
+                clusterSum[i] = sumVal + embVal;
+            }
+        }
+        if (clusterCounts[clusterIdx] !== undefined) {
+            clusterCounts[clusterIdx]++;
+        }
+    }
+
+    // Update cluster centers (average of assigned embeddings)
+    for (let k = 0; k < numClusters; k++) {
+        const count = clusterCounts[k];
+        const center = clusterCenters[k];
+        const sum = clusterSums[k];
+        if (count !== undefined && count > 0 && center && sum) {
+            for (let i = 0; i < center.length; i++) {
+                const sumVal = sum[i];
+                if (sumVal !== undefined) {
+                    center[i] = sumVal / count;
+                }
+            }
+        }
+    }
+}
+
+/**
+ * Calculate the total loss function
+ */
+function calculateLoss(
+    graph: Graph,
+    embeddings: Map<NodeId, number[]>,
+    clusters: Map<NodeId, number>,
+    clusterCenters: number[][],
+    lambda: number,
+): number {
+    let clusteringLoss = 0;
+    let reconstructionLoss = 0;
+    let regularizationLoss = 0;
+
+    // Clustering loss (distance to cluster centers)
+    for (const [nodeId, clusterIdx] of clusters) {
+        const embedding = embeddings.get(nodeId);
+        if (!embedding) {
+            continue;
+        }
+
+        const center = clusterCenters[clusterIdx];
+        if (!center) {
+            continue;
+        }
+
+        clusteringLoss += euclideanDistance(embedding, center) ** 2;
+    }
+
+    // Graph reconstruction loss
+    for (const node of graph.nodes()) {
+        const nodeId = node.id;
+        const nodeEmbedding = embeddings.get(nodeId);
+        if (!nodeEmbedding) {
+            continue;
+        }
+
+        for (const neighborId of graph.neighbors(nodeId)) {
+            const neighborEmbedding = embeddings.get(neighborId);
+            if (!neighborEmbedding) {
+                continue;
+            }
+
+            const distance = euclideanDistance(nodeEmbedding, neighborEmbedding);
+            reconstructionLoss += distance ** 2;
+        }
+    }
+
+    // Regularization loss
+    for (const embedding of embeddings.values()) {
+        for (const value of embedding) {
+            regularizationLoss += value ** 2;
+        }
+    }
+
+    return clusteringLoss + (lambda * reconstructionLoss) + (lambda * regularizationLoss);
+}
+
+/**
+ * Calculate Euclidean distance between two vectors
+ */
+function euclideanDistance(a: number[], b: number[]): number {
+    let sum = 0;
+    for (let i = 0; i < a.length; i++) {
+        const aVal = a[i];
+        const bVal = b[i];
+        if (aVal !== undefined && bVal !== undefined) {
+            const diff = aVal - bVal;
+            sum += diff * diff;
+        }
+    }
+    return Math.sqrt(sum);
+}
+
+/**
+ * Simple seeded random number generator for reproducibility
+ */
+function seedRandom(seed: number): () => number {
+    const m = 0x80000000; // 2**31
+    const a = 1103515245;
+    const c = 12345;
+
+    seed = seed % m;
+
+    return function() {
+        seed = ((a * seed) + c) % m;
+        return seed / (m - 1);
+    };
+}