Sutanay Choudhury

1. ChemReasoner: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedback
   2024/02/15 by Henry W. Sprueill, Carl N. Edwards, Sprueill, Henry W. +15 · 4 citations
   Computer Science · #Advanced Text Analysis Techniques #Artificial Intelligence (cs.AI) #Chemical Physics (physics.chem-ph) #Computational Engineering #FOS: Computer and information sciences #FOS: Physical sciences #Finance #Machine Learning (cs.LG) #and Science (cs.CE)
2. Graph Neural Network and Koopman Models for Learning Networked Dynamics: A Comparative Study on Power Grid Transients Prediction
   2022/02/16 by Sai Pushpak Nandanoori, Nandanoori, Sai Pushpak, Sheng Guan +11 · 2 citations
   Engineering · Computer Science · #Power System Optimization and Stability #Computational Physics and Python Applications #Optimal Power Flow Distribution
3. Faithful and Efficient Explanations for Neural Networks via Neural Tangent Kernel Surrogate Models
   2023/05/23 by Andrew G. Engel, Zhichao Wang, Engel, Andrew +11 · 2 citations
   Computer Science · #Advanced Neural Network Applications #Adversarial Robustness in Machine Learning #Explainable Artificial Intelligence (XAI) #FOS: Computer and information sciences #Machine Learning (cs.LG)
4. Electronic structure simulations in the cloud computing environment
   2024/10/21 by Eric J. Bylaska, Ajay Panyala, Nicholas P. Bauman +29 · 1 voice · 1 citation
   Engineering · Physics and Astronomy · #Advanced Memory and Neural Computing #Quantum and electron transport phenomena #Semiconductor materials and devices
5. Optimizing Data Distribution and Kernel Performance for Efficient Training of Chemistry Foundation Models: A Case Study with MACE
   2025/04/14 by Jesun Firoz, Firoz, Jesun, Franco Pellegrini +35 · 2 citations
   Computer Science · Materials Science · #Advanced Graph Neural Networks #Artificial Intelligence (cs.AI) #Distributed #FOS: Computer and information sciences #Graph Theory and Algorithms #Machine Learning in Materials Science #Parallel #and Cluster Computing (cs.DC)
6. Networked Intelligence: Active Shared Context Graphs for Human-AI Team Science
   2026/07/14 by Sutanay Choudhury, Jeffrey J. Czajka, Lummy M. O. Monteiro +15
   Computer Science · #cs.AI #cs.CE #cs.HC