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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
Improving Graph Property Prediction with Generalized Read...
Eric Alcaide · 2020-09-21 · via stat.ML updates on arXiv.org

Graph property prediction is drawing increasing attention in the recent years due to the fact that graphs are one of the most general data structures since they can contain an arbitrary number of nodes and connections between them, and it is the backbone for many different tasks like classification and regression on such kind of data (networks, molecules, knowledge bases, ...). We introduce a novel generalized global pooling layer to mitigate the information loss that typically occurs at the Readout phase in Message-Passing Neural Networks. This novel layer is parametrized by two values ($β$ and $p$) which can optionally be learned, and the transformation it performs can revert to several already popular readout functions (mean, max and sum) under certain settings, which can be specified. To showcase the superior expressiveness and performance of this novel technique, we test it in a popular graph property prediction task by taking the current best-performing architecture and using our readout layer as a drop-in replacement and we report new state of the art results. The code to reproduce the experiments can be accessed here: https://github.com/EricAlcaide/generalized-readout-phase