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stat.ML updates on arXiv.org

Adaptive multi-fidelity optimization with fast learning rates Enhancing AI and Dynamical Subseasonal Forecasts with Probabilistic Bias Correction Sample Complexity Bounds for Stochastic Shortest Path with a Generative Model The Harder Path: Last Iterate Convergence for Uncoupled Learning in Zero-Sum Games with Bandit Feedback Stylistic-STORM (ST-STORM) : Perceiving the Semantic Nature of Appearance Collective Kernel EFT for Pre-activation ResNets PRIM-cipal components analysis One-Shot Generative Flows: Existence and Obstructions Structural interpretability in SVMs with truncated orthogonal polynomial kernels Amortized Optimal Transport from Sliced Potentials MinShap: A Modified Shapley Value Approach for Feature Selection Unsupervised feature selection using Bayesian Tucker decomposition Multi-User mmWave Beam and Rate Adaptation via Combinatorial Satisficing Bandits Best of both worlds: Stochastic & adversarial best-arm identification Scalable Model-Based Clustering with Sequential Monte Carlo Expert-Guided Class-Conditional Goodness-of-Fit Scores for Interpretable Classification with Informative Missingness: An Application to Seismic Monitoring Lightweight Geometric Adaptation for Training Physics-Informed Neural Networks Gating Enables Curvature: A Geometric Expressivity Gap in Attention Zeroth-Order Optimization at the Edge of Stability Differentially Private Conformal Prediction CLion: Efficient Cautious Lion Optimizer with Enhanced Generalization Generative Augmented Inference Improving Machine Learning Performance with Synthetic Augmentation PAC-MCTS: Bias-Aware Pruning for Robust LLM-Guided Search and Planning Path-Sampled Integrated Gradients Heat and Matérn Kernels on Matchings Doubly Outlier-Robust Online Infinite Hidden Markov Model Momentum Further Constrains Sharpness at the Edge of Stochastic Stability Multistage Conditional Compositional Optimization BOAT: Navigating the Sea of In Silico Predictors for Antibody Design via Multi-Objective Bayesian Optimization
Tree++: Truncated Tree Based Graph Kernels
Wei Ye, Zhen Wang, Rachel Redberg, Ambuj Singh · 2020-02-23 · via stat.ML updates on arXiv.org

Graph-structured data arise ubiquitously in many application domains. A fundamental problem is to quantify their similarities. Graph kernels are often used for this purpose, which decompose graphs into substructures and compare these substructures. However, most of the existing graph kernels do not have the property of scale-adaptivity, i.e., they cannot compare graphs at multiple levels of granularities. Many real-world graphs such as molecules exhibit structure at varying levels of granularities. To tackle this problem, we propose a new graph kernel called Tree++ in this paper. At the heart of Tree++ is a graph kernel called the path-pattern graph kernel. The path-pattern graph kernel first builds a truncated BFS tree rooted at each vertex and then uses paths from the root to every vertex in the truncated BFS tree as features to represent graphs. The path-pattern graph kernel can only capture graph similarity at fine granularities. In order to capture graph similarity at coarse granularities, we incorporate a new concept called super path into it. The super path contains truncated BFS trees rooted at the vertices in a path. Our evaluation on a variety of real-world graphs demonstrates that Tree++ achieves the best classification accuracy compared with previous graph kernels.