Arvind Ramanathan
- Equivariant Graph Neural Operator for Modeling 3D Dynamics
2024/01/19 by Minkai Xu, Jiaqi Han, Xu, Minkai +15 · 15 citations
Computer Science · Materials Science · #Advanced Graph Neural Networks #FOS: Biological sciences #FOS: Computer and information sciences #FOS: Mathematics #Machine Learning (cs.LG) #Machine Learning in Materials Science #Numerical Analysis (math.NA) #Quantitative Methods (q-bio.QM) #Topic Modeling
- DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies
2023/10/06 by Shuaiwen Leon Song, Bonnie Kruft, Song, Shuaiwen Leon +181 · 6 citations
Biochemistry, Genetics and Molecular Biology · Decision Sciences · Materials Science · #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Genetics, Bioinformatics, and Biomedical Research #Machine Learning (cs.LG) #Machine Learning in Materials Science #Scientific Computing and Data Management
- BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery
2024/11/15 by Peter C. St. John, Peter St. John, Dejun Lin +203 · 1 voice · 6 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Computational Drug Discovery Methods #Genetics, Bioinformatics, and Biomedical Research #Machine Learning in Materials Science #cs.LG #q-bio.BM
- DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for\n Protein Folding
2019/09/17 by Hyungro Lee, Lee, Hyungro, Heng Ma +9 · 2 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Distributed #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Parallel #Protein Structure and Dynamics #Software Engineering Research #and Cluster Computing (cs.DC)
- Coupling streaming AI and HPC ensembles to achieve 100-1000x faster biomolecular simulations
2021/04/10 by Alexander Brace, Igor Yakushin, Brace, Alexander +17 · 2 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Decision Sciences · #Advanced Data Storage Technologies #Distributed #FOS: Computer and information sciences #Genomics and Phylogenetic Studies #Machine Learning (cs.LG) #Parallel #Scientific Computing and Data Management #and Cluster Computing (cs.DC)
- Protein Folding Neural Networks Are Not Robust
2021/09/09 by Sumit Kumar Jha, Arvind Ramanathan, Jha, Sumit Kumar +7 · 1 citation
Biochemistry, Genetics and Molecular Biology · Chemistry · Computer Science · #Adversarial Robustness in Machine Learning #Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Mass Spectrometry Techniques and Applications #Protein Structure and Dynamics
- Speech enhancement deep-learning architecture for efficient edge processing
2024/05/27 by Monisankha Pal, Arvind Ramanathan, Pal, Monisankha +5 · 1 citation
Computer Science · Health Professions · #Speech and Audio Processing #Speech Recognition and Synthesis #Infant Health and Development
- AEGIS: Assay-Aware Protocol Validation and Runtime Monitoring for Open-Source Liquid Handling Robots
2026/07/17 by Priyanka V. Setty, Arvind Ramanathan, Ian Foster +1
#cs.RO #cs.AI