北京雁栖湖应用数学研究院

丘成栋

牛一帅

2024年01月20日 21:00 至 21:30

Online

This presentation introduces AQPPG (Adaptive Quadratic Penalty with Projection Gradient), an efficient algorithm designed to address the Computational Protein Design (CPD) problem. By establishing that the CPD objective depends linearly on each block of the decision variables, the study proves that any optimal solution to the relaxation problem can be effectively transformed into an optimal solution to the original CPD problem. The proposed AQPPG employs a quadratic penalty method to solve the relaxation problem and demonstrates superior computational efficiency, significantly outperforming the state-of-the-art solver Gurobi in terms of speed.

Yi-Shuai Niu, a tenured Associate Professor of Mathematics at Beijing Institute of Mathematical Sciences and Applications (BIMSA), specialized in Optimization, Scientific Computing, Machine Learning, and Computer Sciences. Before joining BIMSA in October 2023, he was a research fellow at the Hong Kong Polytechnic University (2021-2022); an associate professor at Shanghai Jiao Tong University (2014-2021), where he led the “Optimization and Interdisciplinary Research Group” and double-appointed at the ParisTech Elite Institute of Technology and the School of Mathematical Sciences. His earlier roles include postdoc at the University of Paris 6 (2013-2014) and junior researcher both at the French National Center for Scientific Research (CNRS) and Stanford University (2010-2012). He was also a lecturer at the National Institute of Applied Sciences (INSA) of Rouen (2007-2010) in France, where he earned a Ph.D. in Mathematics-Optimization in 2010 and double Masters in Pure and Applied Mathematics and Genie Mathematics in 2006. His research covers a wide range of applied mathematics, with a spotlight on optimization theory, machine learning, high-performance computing, and software development. His works span various interdisciplinary applications including: machine learning, natural language processing, self-driving car, finance, image processing, turbulent combustion, polymer science, quantum chemistry and computing, and plasma physics. His contributions encompass fundamental research, emphasizing novel algorithms for large-scale nonconvex and nonsmooth problems, and practical implementations, focusing on efficient optimization solvers and scientific computing packages using high-performance computing techniques. He developed more than 33 pieces of software and published about 30 articles in prestigious journals and conferences (including SIAM Journal on Optimization, Journal of Scientific Computing, Combustion and Flames, Applied Mathematics and Computation). He was PI of 5 research grants and members of 5 joint international research projects. He was awarded of shanghai teaching achievement award (First prize) in 2017, two outstanding teaching awards (First prize) at Shanghai Jiao Tong University in 2016 and 2017 respectively, as well as 17 awards in international contests of mathematics MCM/ICM (including the INFORMS best paper award in 2017).