Post #668

Fresh Picks from Arxiv The past week on GraphML arXiv: Dynamics, generalization and structure-aware generation for molecules, learning graph combinatorial optimization, and more. ⚛️ Molecular Graphs: - How Robust are Modern Graph Neural Network Potentials in Long and Hot Molecular Dynamics Simulations? ft. Johannes Gasteiger, Stephan Gunnemann. - How Do Graph Networks Generalize to Large and Diverse Molecular Systems? ft. Johannes Gasteiger, Stephan Gunnemann, Open Catalyst Project Team. - In-Pocket 3D Graphs Enhance Ligand-Target Compatibility in Generative Small-Molecule Creation 💼 Graph Combinatorial Optimization: - Learning to solve Minimum Cost Multicuts efficiently using Edge-Weighted Graph Convolutional Neural Networks - Learning-Based Approaches for Graph Problems: A Survey 🌐 Miscellaneous: - Graph-based Approximate NN Search: A Revisit - Multi-Modal Hypergraph Diffusion Network with Dual Prior for Alzheimer Classification - C3KG: A Chinese Commonsense Conversation Knowledge Graph - Graph Neural Networks Designed for Different Graph Types: A Survey - Equilibrium Aggregation: Encoding Sets via Optimization ft. Fabian Fuchs. (If I forgot to mention your paper, please shoot me a message and I will update the post.)