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Researchers-in-AI4S

This is the summary for researchers in AI for Science. Currently, the updating list only contained people in the field of AI + applied mathematics and mechanics sorted by Shizheng Wen. Other fields like AI + Molecular dynamics, materials/chemistry/biology will be sorted out soon.

(:notebook: Please notice that this list is very subjective, it only contained the researchers the creator so far. Also, please ignore the note, which is only some characteristics for me to remember.)

👨‍🔬Mainstream ML

Most of the following researchers have a strong background in applied mathematics (numerical analysis and dynamical systems) and data science (machine learning, optimization and statistics), and come from the department of computer science and mathematics in different universities or research institutes (DeepMind, MSR, Google and etc.). They are in the mainstream machine learning community and perfer to publish paper in machine learning conference.

Name Institution Research Field Note
Michael Bronstein Prof @ Oxford/Deepmind/twitter Geometric DL, GNN Online Course 2022
Anima Anandkumar Prof @Caltech/Nvidia AI+Science (FNO) Received her PhD degree at 2009
Max Welling Prof @UoA/MSR AI+Science(PDE, MD);GNN;Bayes Received his PhD in Physics
Siddhartha Mishra Prof @ETH Numerical Analysis; AI for physics; physics for AI Approximation Theory and error bound of PINN, DeepOnet, FNO; DS for GNN
Michael Mahoney Prof. @UCBerkely Statics, SciML Experienced in Graph, HPC, SciML ...
Stephan Günnemann Prof. @TUM GNN; ML4DS Author of GNN FEM network for DS
Benjamin Erichson Asist. Prof. @ U Pitts SciML, dynamical systems, deep learning Postdoc. of Mahoney at Berkeley and Kutz brunton at UW
Jure Leskovec Prof. @ Stanford Graph Neural Network Postdoc. of Mahoney at Berkeley. Leading researcher in the field of Graph. recording courses for GNN
Tobias Pfaff Researcher @Deepmind GNN for Physical Simulation Earlier works are related to CG. Markus Gross's students. Collaborator of Nils Thuerey. First-author of meshgraphnet
Alvaro Sanchez Gonzalez Researcher @Deepmind GNN for Physical Simulation First author of GNS. Finished many GNN related work. Have worked with Miles Cranmer ever.
Peter Battaglia Research Scientist @Deepmind GNN, Physics Engine based on GNN Collobrate with Pfaff and Gonzalez for many GNN works.
Stephan Hoyer Researcher @GoogleAI DL for Physicals Science Active in Twitter. Many representative works include Lagrangian NN, ML accelerated CFD, etc.
Yarin Gal Prof. @Oxford Theory:Bayesian Deep Learning; Application Looking for students
Molei Tao Associate Prof. @Gatech Dynamical ML, AI4Science, Physics4AI Applied/Computational science. PhD student of Houman Owhadi
Houman Owhadi Prof. @Caltech Sci. ML, Physics informed learing and mathematics of ML Advisor of Tao Molei, mathematician
Thomas Kipf Researcher @Google Brain Graph Neural Network Student of Max Welling, first-auth. of ConvolutionalGNN (2017ICRL)
Johannes Brandstetter Researcher @Microsoft Research Amsterdam Physics Geometric Deep Learning Max Welling's Student
Rose Yu Prof. @UCSD Physics-informed ML for modeling of sptiotemporal Dynamics from Northeastern to UCSD. Postdoc of Anime。
Aditi S. Krishnapriyan Assistant Prof. @UCB physics-inspired machine learning methods; GNN; development of machine learning methods informed by physical sciences applications including molecular dynamics, fluid mechanics, climate science Mahoney's PhD Student
Andrew M. Stuart Prof @Caltech Data Assimilation; Inverse Problem; Scientific ML Samuel Lanthaler's (mishra's PhD) advisor for PostDoc
Max Tegmark Prof. @MIT AI for Physics; Physics for AI; Physics (Cosmology, quantum Informaiton) Supervisor of AI Feynman and AI Poincaré (symbolic regression)
Lexing Ying Prof. @Stanford PDE + Neural Network Yiping Lu's advisor at Stanford
Jianfeng Lu Associate Prof. @Duke AI+PDE/Science Phd Students of Weinan E
Weinan E Prof. @Princeton AI+Science(PDE/MD) Propose the concept of AI + Science
Hod Lipson Prof. @Columbia Robotics+Hidden variables discovery Distill natural laws from data Science Nature CS
Evangelos Theodorou Prof. @ Gatech Deep Learning, Dynamic & Control, Stochastic process in the department of Aerospace Engineering

👨‍🔬Domain field ML

Follwing researchers often have a strong domain knowledge in mechanics (solid or fluid) and work on developing data-driven modeling in science and technology by utilizing algorithms from machine learning community. They are not interested in advancing new machine learning algorithm, and prefer publishing their works in top-tier journals.

Name Institution Research Field Note
Peter Benner Prof. @Max Planck Institute SciML,model reduction,dynamical system Researchgate
George Karniadakis Prof. @Brown Math+Machine Learning; PINN; Numerical Analysis PINN, DeepOnet
Themis Sapsis Prof. @MIT Analytical, computational and data-driven methods for modeling high-dimensional nonlinear systems Know George Haller. Phd advisor of Zhongyi Wan
petros koumoutsakos Prof. @Harvard Physical Simulation (fluid, molecular), Machine Learning, HPC Golden Bell Prize
Steven Brunton Prof. @UW Data-driven dynamics and control, fluid mechanics first-author of ARFM (fluid and ML); sparse identification; POD/DMD;
Nathan Kutz Prof. @UW Applied Mathematics; Data-driven dynamics Closely worked with Brunton
Bernd R Noack Prof. @HIT(sz) @TU Berlin Fluid Mechanics Closely collobrated with Brunton, Weiwei Zhang
George Haller Prof. @ETHz Dynamical System + Machine Learning Manifold-based ROM
Rajeev Jaiman Associate Prof. @UBC Fluid-structure interaction + Machine Learning Once at NUS, know Dowell
Ricardo Vinuesa Assistant Prof. @KTH Fluid Mechanics + ML collobrated with Brunton
Dennis M. Kochmann Prof. @ETH Solid Mechanics, Materials + ML Once at Caltech
Karthik Duraisamy Prof. @Umich Turbulence + ML First-author of ARFM ('Turbulence modeling in the age of data')
WaiChing Sun Prof. @Columbia Solid Mechanics; computational mechanics + ML Author of Manifold embedding data-driven mechanics; especially like publishing paper in CMAME
Heng Xiao Prof. @University of Stuttgart Fluid Mechanics (Aerospace) + ML once at VT, co-author of ARFM with Duraisamy
Eleni Chatzi Prof. @ETH Structural Mechanics & Monitoring + ML Got her PhD in Columbia
Laura De Lorenzis Prof. @ETH Solid/Computational Mechanics + ML New Editor in CMAME
Sid Kumar Assistant Prof. @Delft Mechanics and Materials + ML Student of Lorenzis
Jianxun Wang Assistant Professor @UND Fluid Mechanics + ML Students of Hang Xiao
Jinlong Wu Assistant Professor @UWM Data-driven dynamics (mechanics) Students of Hang Xiao, Postdoc of Andrew M. Stuart
Lailai Zhu Assistant Prof. @NUS low-Reynolds-number fluid-structure interactions (bio, microfluidics) NUS Postdoc of Howard stone
Gianluca Iaccarino Prof. @Stanford Aerospace + Datadriven Modeling co-author of ARFM with Duraisamy
Leonardo Andrés Zepeda Núñez

👨‍🔬Chinese Researchers

Following researchers are working at Universities in China now. One of their research fields is scientific machine learning.

Name Institution Research Field
孙浩 中国人民大学 科学机器学习,符号回归
董彬 北京大学 数值,机器学习理论
张伟伟 西北工业大学 流固相互作用,数据驱动的机器学习
王立威 北京大学 机器学习理论
毛志平 厦门大学 物理信息神经网络

👨‍🎓Young Researchers

Following people are PhD candidates or just have finished their PhD degrees recently. Some of them are very young but have already conducted representative works.

Name Institution Mainly Research Field Representatives
Ziming Liu MIT AI4Physics; Physics4AI AI Poincaré
Yiping Lu Stanford Differential equations Neural Network PDE-Net; Bridging NN and DF
Zongyi Li Caltech Scientific ML FNO
Silviu-Marian Udrescu MIT Particle Physics and Artificial Intelligence AI Feynman
Konstantin Rusch ETH Physcis (DS) for ML (GNN) Graph-Coupled Oscillator Networks
Ben Moseley ETH PINN; The application of PINN is real influential field Finite Basis PINN (FBPINNS):
Miles Cranmer Princeton Symbolic regression; AI; Astrophysics; Rediscovering orbital mechanics with machine learning; Lagrangian NN
Samuel Lanthaler Caltech Numerical Analysis (NA) and NA for operator learning Error estimates for DeepOnet
Nikola B. Kovachki Caltech machine learning methods for the physical sciences in theory and practice Approximation theory and error bound for FNO
Shaowu Pan RPI Scientific ML; Turbulence Neural Implicit Flow
Hannes Stärk MIT geometric deep learning and its application in molecular biology Estabilish the GNN reading group LOG2
Xiaoyu Xie Northwestern University Data-driven (AI) in manufacturing, fluid/solid mechanics Data-driven discovery of dimensionless numbers and govern laws , Northwestern
Han Gao University of Notre Dame ML+fluid Surrogate modeling of fluid without data; PhyGeoNet
Pu Ren UCB Scientific ML PhyCRNet
Eric Qu Duke Kunshan University Geometric Deep Learning and AI for Science Currently None
Jiaqing Kou RWTH Aachen University ROM; AI in fluid-structure interaction Data-driven modeling for unsteady aerodynamics and aeroelasticity
Zhong Yi Wan Google Research SML; ROM Data-assisted reduced-order modeling/forecasting of high-dimensional dynamical/chaotic system.
Prakash Thakolkaran Delft Deep Learning; Computational Mechanics and Design NN-EUCLID
Mattia Cenedese UBS Data-driven Dynamical System Data-driven modeling and prediction of non-linearizable dynamics via spectral submanifolds
Boyuan Chen Duke Robotics+Hidden variables discovery+AI4Science AP at duke, Hod Lipson's PhD student
Zhengyu Huang Caltech Numerical Methods+Machine Learning+Application (Fluid-structure interaction) PhD advisor: Charbel Farhat PostDoc advisor: Andrew Stuart
Guan-Horng Liu Gatech Scalable computational methods for Neural Dyanmics PhD advisor: Evangelos Theodorou and Molei Tao
Mike Yan Michelis ETH AI for robotics Differentiable Simulation for soft robotics

Thomas Kipf

graph TB
GNS,ICML2020 --mesh, rather than points--> Meshgraphenet,ICLR2021 
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