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Ali Hariri

2 accepted papers

2025

Generative Modeling of Full-Atom Protein Conformations using Latent Diffusion on Graph Embeddings

NeurIPS 2025poster

Generating diverse, all‐atom conformational ensembles of dynamic proteins such as G‐protein‐coupled receptors (GPCRs) is critical for understanding their function, yet most generative models simplify atomic detail or ignore conformational diversity altogether. We present latent diffusion for full pr…

Cited by 0SourcecodeScholar
2025

Return of ChebNet: Understanding and Improving an Overlooked GNN on Long Range Tasks

NeurIPS 2025spotlight

ChebNet, one of the earliest spectral GNNs, has largely been overshadowed by Message Passing Neural Networks (MPNNs), which gained popularity for their simplicity and effectiveness in capturing local graph structure. Despite their success, MPNNs are limited in their ability to capture long-range dep…

Cited by 0SourceScholar