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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
RaWaNet: Enriching Graph Neural Network Input via Random ...
Anahita Iravanizad, Edgar Ivan Sanchez Medina, Martin Stoll · 2021-09-16 · via stat.ML updates on arXiv.org

In recent years, graph neural networks (GNNs) have gained increasing popularity and have shown very promising results for data that are represented by graphs. The majority of GNN architectures are designed based on developing new convolutional and/or pooling layers that better extract the hidden and deeper representations of the graphs to be used for different prediction tasks. The inputs to these layers are mainly the three default descriptors of a graph, node features $(X)$, adjacency matrix $(A)$, and edge features $(W)$ (if available). To provide a more enriched input to the network, we propose a random walk data processing of the graphs based on three selected lengths. Namely, (regular) walks of length 1 and 2, and a fractional walk of length $γ\in (0,1)$, in order to capture the different local and global dynamics on the graphs. We also calculate the stationary distribution of each random walk, which is then used as a scaling factor for the initial node features ($X$). This way, for each graph, the network receives multiple adjacency matrices along with their individual weighting for the node features. We test our method on various molecular datasets by passing the processed node features to the network in order to perform several classification and regression tasks. Interestingly, our method, not using edge features which are heavily exploited in molecular graph learning, let a shallow network outperform well known deep GNNs.