Accurate multi-endpoint molecular toxicity predictions in humans with contrastive explanations
- Bhanushee Sharma
- Vijil Chenthamarakshan
- et al.
- 2022
- ACS Spring 2022
Publications
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39 results for Payel Das
Mean-based Best Arm Identification in Stochastic Bandits under Reward Contamination
- Arpan Mukherjee
- Ali Tajer
- et al.
- 2021
- NeurIPS 2021
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- MRS Fall Meeting 2022
Equi-Tuning: Group Equivariant Fine-Tuning of Pretrained Models
- Sourya Basu
- Prasanna Sattigeri
- et al.
- 2023
- AAAI 2023
Biological Sequence Design with GFlowNets
- Moksh Jain
- Payel Das
- et al.
- 2022
- ICML 2022
SynBench: Task-Agnostic Benchmarking of Pretrained Representations using Synthetic Data
- Ching-yun Ko
- Pin-Yu Chen
- et al.
- 2022
- NeurIPS 2022
MemReasoner: A Memory-augmented LLM Architecture for Multi-hop Reasoning
- Irene Ko
- Sihui Dai
- et al.
- 2024
- NeurIPS 2024
Learning to Optimize Molecules with a Chemical Language Model
- Jerret Ross
- Samuel Hoffman
- et al.
- 2024
- NeurIPS 2024
Combining Domain and Alignment Vectors to Achieve Better Knowledge-Safety Trade-offs in LLMs
- Megh Thakkar
- Yash More
- 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