GP-MOLFORMER-SIM: Test Time Molecular Optimization through Contextual Similarity Guidance
- Jiri Navratil
- Jerret Ross
- et al.
- 2026
- AAAI 2026
Publications
45 results for Payel Das
Position: Theory of Mind Benchmarks are Broken for Large Language Models
- Matthew Riemer
- Zahra Ashktorab
- et al.
- 2025
- ICML 2025
Aligning Protein Conformation Ensemble Generation with Physical Feedback
- Jiarui Lu
- Xiaoyin Chen
- et al.
- 2025
- ICML 2025
SEAL: Safety-enhanced Aligned LLM Fine-tuning via Bilevel Data Selection
- Han Shen
- Pin-Yu Chen
- et al.
- 2025
- ICLR 2025
Large Language Models can Become Strong Self-Detoxifiers
- Irene Ko
- Pin-Yu Chen
- et al.
- 2025
- ICLR 2025
PEEL the Layers and Find Yourself: Revisiting Inference-time Data Leakage for Residual Neural Networks
- Huzaifa Arif
- Keerthiram Murugesan
- et al.
- 2025
- IEEE SaTML 2025
Multi-Scale Representation Learning for Protein Fitness Prediction
- Zuobai Zhang
- Pascal Notin
- et al.
- 2024
- NeurIPS 2024
MemReasoner: A Memory-augmented LLM Architecture for Multi-hop Reasoning
- Irene Ko
- Sihui Dai
- et al.
- 2024
- NeurIPS 2024
Improving Structural Plausibility in 3D Molecule Generation via Property-Conditioned Training with Distorted Molecules
- Lucy Vost
- Vijil Vijil
- et al.
- 2024
- NeurIPS 2024
Learning to Optimize Molecules with a Chemical Language Model
- Jerret Ross
- Samuel Hoffman
- et al.
- 2024
- NeurIPS 2024