Payel Das

GP-MoLFormer-Sim: Test Time Molecular Optimization Through Contextual Similarity Guidance AAAI 2026 ImReasoner: Improving Memory-based Language Models for Reasoning-in-a-Haystack Tasks ACL 2026 Aligning Protein Conformation Ensemble Generation with Physical Feedback ICML 2025 Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction To Generation and Beyond IJCAI 2025 Combining Domain and Alignment Vectors Provides Better Knowledge-Safety Trade-offs in LLMs ACL 2025 EpMAN: Episodic Memory AttentioN for Generalizing to Longer Contexts ACL 2025 Large Language Models can Become Strong Self-Detoxifiers ICLR 2025 Position: Theory of Mind Benchmarks are Broken for Large Language Models ICML 2025 SEAL: Safety-enhanced Aligned LLM Fine-tuning via Bilevel Data Selection ICLR 2025 A Deep Dive into the Trade-Offs of Parameter-Efficient Preference Alignment Techniques ACL 2024 Boundary Exploration for Bayesian Optimization With Unknown Physical Constraints ICML 2024 Larimar: Large Language Models with Episodic Memory Control ICML 2024 Multi-Scale Representation Learning for Protein Fitness Prediction NeurIPS 2024 NeuroPrune: A Neuro-inspired Topological Sparse Training Algorithm for Large Language Models ACL 2024 What Would Gauss Say About Representations? Probing Pretrained Image Models using Synthetic Gaussian Benchmarks ICML 2024 Efficient Equivariant Transfer Learning from Pretrained Models NeurIPS 2023 Equi-Tuning: Group Equivariant Fine-Tuning of Pretrained Models AAAI 2023 Hierarchical Grammar-Induced Geometry for Data-Efficient Molecular Property Prediction ICML 2023 Pre-Training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction NeurIPS 2023 Protein Representation Learning by Geometric Structure Pretraining ICLR 2023 Reprogramming Pretrained Language Models for Antibody Sequence Infilling ICML 2023 The Impact of Positional Encoding on Length Generalization in Transformers NeurIPS 2023 Biological Sequence Design with GFlowNets ICML 2022 Data-Efficient Graph Grammar Learning for Molecular Generation ICLR 2022 Fourier Representations for Black-Box Optimization over Categorical Variables AAAI 2022 Knowledge Graph Generation From Text EMNLP 2022 Towards Creativity Characterization of Generative Models via Group-Based Subset Scanning IJCAI 2022 Fold2Seq: A Joint Sequence(1D)-Fold(3D) Embedding-based Generative Model for Protein Design ICML 2021 Mean-based Best Arm Identification in Stochastic Bandits under Reward Contamination NeurIPS 2021 Predicting Deep Neural Network Generalization with Perturbation Response Curves NeurIPS 2021 ReGen: Reinforcement Learning for Text and Knowledge Base Generation using Pretrained Language Models EMNLP 2021 Self-Progressing Robust Training AAAI 2021 A Decentralized Parallel Algorithm for Training Generative Adversarial Nets NeurIPS 2020 Bridging Mode Connectivity in Loss Landscapes and Adversarial Robustness ICLR 2020 CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models NeurIPS 2020 DualTKB: A Dual Learning Bridge between Text and Knowledge Base EMNLP 2020 Learning Implicit Text Generation via Feature Matching ACL 2020 Optimizing Mode Connectivity via Neuron Alignment NeurIPS 2020 Toward a neuro-inspired creative decoder IJCAI 2020 Towards Better Understanding of Adaptive Gradient Algorithms in Generative Adversarial Nets ICLR 2020 Explanations based on the Missing: Towards Contrastive Explanations with Pertinent Negatives NeurIPS 2018