From Prediction to Creation: Transforming Scientific Discovery with Artificial Intelligence
Location
Institute for Advanced Computational Science, IACS Building, Stony Brook University, NY 11794, USA
Event Description
Abstract: Artificial intelligence (AI) is rapidly transforming scientific discovery, enabling breakthroughs in areas ranging from drug discovery to modeling complex physical systems. In the life sciences, AI has traditionally been applied to prediction tasks such as classifying molecules as toxic or non-toxic, estimating drug properties, or solving partial differential equations. These discriminative models have proven powerful, but they are inherently limited to mapping existing inputs to deterministic outputs. A new wave of methods is shifting the paradigm from discrimination to generation: creating new possibilities, such as generating novel molecules or designing new drugs. By reframing AI as both a predictive and generative engine, this shift offers new pathways for accelerating discovery and innovation in life sciences at an unprecedented scale. This talk will cover several aspects of AI for Science (AI4Sci), beginning with advances in discriminative models for molecular systems and solving PDEs, and then turning to generative approaches, including diffusion models for 3D molecular generation and large language models for drug editing. Together, these developments illustrate how moving from prediction to creation is redefining what AI can contribute to science.
Bio: Wenhan Gao is a fourth-year Ph.D. student in Applied Mathematics under the supervision of Professor Yi Liu. He was also a Staff Research Scientist Intern at VISA Research, where he worked on large language models (LLMs) and multi-agent systems for commerce. Wenhan's research focuses on AI for Science (AI4Sci), with a particular emphasis on generative AI. His work looks deep into the fundamental mechanisms of AI models when applied to scientific tasks, and he strives to incorporate established scientific priors, such as symmetry, into model design. He has published papers as a first or corresponding author in leading AI and computational venues, including ICLR, ICML, NeurIPS, TMLR, ACL, and the Journal of Computational Physics. In addition to his research, Wenhan has served as a reviewer and oral session chair for top AI conferences and as a lecturer for both undergraduate and graduate courses at Stony Brook University.
Location: IACS Seminar Room or Zoom
This seminar will take place in person and online*
Join Zoom Meeting: https://stonybrook.zoom.us/j/
Meeting ID: 916 7009 3552
Passcode: 434045
Bio: Wenhan Gao is a fourth-year Ph.D. student in Applied Mathematics under the supervision of Professor Yi Liu. He was also a Staff Research Scientist Intern at VISA Research, where he worked on large language models (LLMs) and multi-agent systems for commerce. Wenhan's research focuses on AI for Science (AI4Sci), with a particular emphasis on generative AI. His work looks deep into the fundamental mechanisms of AI models when applied to scientific tasks, and he strives to incorporate established scientific priors, such as symmetry, into model design. He has published papers as a first or corresponding author in leading AI and computational venues, including ICLR, ICML, NeurIPS, TMLR, ACL, and the Journal of Computational Physics. In addition to his research, Wenhan has served as a reviewer and oral session chair for top AI conferences and as a lecturer for both undergraduate and graduate courses at Stony Brook University.
Location: IACS Seminar Room or Zoom
This seminar will take place in person and online*
Join Zoom Meeting: https://stonybrook.zoom.us/j/
Meeting ID: 916 7009 3552
Passcode: 434045
