Hsu, Tim

1. Score dynamics: scaling molecular dynamics with picoseconds timestep via conditional diffusion model
   2023/10/02 by Tim Hsu, Babak Sadigh, Hsu, Tim +5 · 5 citations
   Materials Science · Biochemistry, Genetics and Molecular Biology · Physics and Astronomy · #Machine Learning in Materials Science #Protein Structure and Dynamics #Quantum many-body systems
2. Score-based denoising for atomic structure identification
   2022/12/05 by Tim Hsu, Babak Sadigh, Hsu, Tim +11 · 4 citations
   Biochemistry, Genetics and Molecular Biology · Materials Science · #Atomic Physics (physics.atom-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Material Dynamics and Properties #Materials Science (cond-mat.mtrl-sci) #Protein Structure and Dynamics
3. Spectroscopy-Guided Discovery of Three-Dimensional Structures of Disordered Materials with Diffusion Models
   2023/12/09 by Hyuna Kwon, Kwon, Hyuna, Tim Hsu +18 · 4 citations
   Materials Science · Physics and Astronomy · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography #Theoretical and Computational Physics
4. Microstructure Generation via Generative Adversarial Network for Heterogeneous, Topologically Complex 3D Materials
   2020/06/22 by Hsu, Tim, Epting, William K., Kim, Hokon +5 · 1 citation
   #Computer Vision and Pattern Recognition (cs.CV) #FOS: Computer and information sciences #FOS: Electrical engineering #FOS: Physical sciences #Image and Video Processing (eess.IV) #Materials Science (cond-mat.mtrl-sci) #electronic engineering #information engineering
5. Ice phase classification made easy with score-based denoising
   2024/05/10 by Hongchun Sun, Sun, Hong, Sébastien Hamel +9 · 2 citations
   Engineering · Medicine · #FOS: Physical sciences #Icing and De-icing Technologies #Materials Science (cond-mat.mtrl-sci) #Winter Sports Injuries and Performance
6. Grand canonical generative diffusion model for crystalline phases and grain boundaries
   2024/08/28 by Lei, Bo, Chen, Enze, Kwon, Hyuna +5 · 1 citation
   #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
7. BOOM: Benchmarking Out-Of-distribution Molecular Property Predictions of Machine Learning Models
   2025/05/03 by Antoniuk, Evan R., Zaman, Shehtab, Ben-Nun, Tal +9 · 2 citations
   #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)