Daigavane, Ameya
- Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
2023/07/17 by Xuan Zhang, Zhang, Xuan, Limei Wang +123 · 1 voice · 22 citations
#cs.LG #physics.comp-ph
- EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants
2024/10/12 by Allan dos Santos Costa, Costa, Allan dos Santos, Ilan Mitnikov +17 · 8 citations
Computer Science · Biochemistry, Genetics and Molecular Biology · Decision Sciences · #Algorithms and Data Compression #Protein Structure and Dynamics #Scientific Computing and Data Management
- Node-Level Differentially Private Graph Neural Networks
2021/11/23 by Daigavane, Ameya, Madan, Gagan, Sinha, Aditya +3 · 3 citations
#Cryptography and Security (cs.CR) #FOS: Computer and information sciences #Machine Learning (cs.LG)
- JAMUN: Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensembles
2024/10/18 by Ameya Daigavane, Daigavane, Ameya, Bodhi P. Vani +8 · 5 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Engineering · #Biological Physics (physics.bio-ph) #Biomolecules (q-bio.BM) #Chemical Synthesis and Analysis #Computational Drug Discovery Methods #FOS: Biological sciences #FOS: Computer and information sciences #FOS: Physical sciences #Innovative Microfluidic and Catalytic Techniques Innovation #Machine Learning (cs.LG)
- Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for 3D Molecule Generation
2023/11/27 by Ameya Daigavane, Song Eun Kim, Daigavane, Ameya +5 · 2 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · Physics and Astronomy · #Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Protein Structure and Dynamics #Scientific Research and Discoveries
- The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products
2025/06/16 by Xie, YuQing, Daigavane, Ameya, Kotak, Mit +1 · 5 citations
Computer Science · #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Logic, programming, and type systems #Machine Learning (cs.LG) #Model-Driven Software Engineering Techniques #Parallel Computing and Optimization Techniques