Post #670

Fresh Picks from Arxiv - ICLR Workshops Special Edition The past week on GraphML arXiv: Lots and lots of graph ML for drug discovery papers + graph generation, hyper graphs, subgraphs, and more! 💊 Drug Discovery - Deep Sharpening Of Topological Features For De Novo Protein Design ft. Bruno Correia, Michael Bronstein, Andreas Loukas - Decoding Surface Fingerprints For Proteinligand Interactions ft. Bruno Correia, Michael Bronstein, Pietro Lio - Physics-Informed Deep Neural Network For Rigid-Body Protein Docking ft. Bruno Correia, Michael Bronstein - Evaluating Generalization in GFlowNets for Molecule Design ft. Yoshua Bengio, Michael Bronstein - Torsional Diffusion for Molecular Conformer Generation ft. Regina Barzilay, Tommi Jakkola - Graph Anisotropic Diffusion For Molecules ft. Michael Bronstein 🕸 Graph Generation - SPECTRE : Spectral Conditioning Helps to Overcome the Expressivity Limits of One-shot Graph Generators ft. Andreas Loukas - Explanation Graph Generation via Pre-trained Language Models: An Empirical Study with Contrastive Learning ft. Mohit Bansal 🔨 GNN Models - Simplicial Attention Networks ft. Cris Bodnar, Pietro Lio - Graph Pooling for Graph Neural Networks: Progress, Challenges, and Opportunities - Graph Ordering Attention Networks - Expressiveness and Approximation Properties of Graph Neural Networks - Efficient Representation Learning of Subgraphs by Subgraph-To-Node Translation 🚗 Applications - Learning to Solve Travelling Salesman Problem with Hardness-adaptive Curriculum ft. Wenwu Zhu - Principled inference of hyperedges and overlapping communities in hypergraphs - Graph Enhanced BERT for Query Understanding ft. Jilian Tang (If I forgot to mention your paper, please shoot me a message and I will update the post.)