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.)