Shuiwang Ji

21

Papers

37

Total Citations

Papers (21)

DiffMS: Diffusion Generation of Molecules Conditioned on Mass Spectra

Reward-Guided Iterative Refinement in Diffusion Models at Test-Time with Applications to Protein and DNA Design

Fragment and Geometry Aware Tokenization of Molecules for Structure-Based Drug Design Using Language Models

Position: TrustLLM: Trustworthiness in Large Language Models

A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction

Graph Structure Extrapolation for Out-of-Distribution Generalization

Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency

Task-Agnostic Graph Explanations

Periodic Graph Transformers for Crystal Material Property Prediction

Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization

Video Timeline Modeling For News Story Understanding

QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules

Towards Symmetry-Aware Generation of Periodic Materials

A new perspective on building efficient and expressive 3D equivariant graph neural networks

Graph U-Nets

ChannelNets: Compact and Efficient Convolutional Neural Networks via Channel-Wise Convolutions

Noise2Same: Optimizing A Self-Supervised Bound for Image Denoising

Stochastic Optimization of Areas Under Precision-Recall Curves with Provable Convergence

ConE: Cone Embeddings for Multi-Hop Reasoning over Knowledge Graphs

ComENet: Towards Complete and Efficient Message Passing for 3D Molecular Graphs

GOOD: A Graph Out-of-Distribution Benchmark