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Machine Learning and the Physical Sciences
Atilim Gunes Baydin · Juan Carrasquilla · Shirley Ho · Karthik Kashinath · Michela Paganini · Savannah Thais · Anima Anandkumar · Kyle Cranmer · Roger Melko · Mr. Prabhat · Frank Wood

Sat Dec 08:00 AM -- 06:30 PM PST @ West 109 + 110
Event URL: https://ml4physicalsciences.github.io/ »

Machine learning methods have had great success in learning complex representations that enable them to make predictions about unobserved data. Physical sciences span problems and challenges at all scales in the universe: from finding exoplanets in trillions of sky pixels, to finding machine learning inspired solutions to the quantum many-body problem, to detecting anomalies in event streams from the Large Hadron Collider. Tackling a number of associated data-intensive tasks including, but not limited to, segmentation, 3D computer vision, sequence modeling, causal reasoning, and efficient probabilistic inference are critical for furthering scientific discovery. In addition to using machine learning models for scientific discovery, the ability to interpret what a model has learned is receiving an increasing amount of attention.

In this targeted workshop, we would like to bring together computer scientists, mathematicians and physical scientists who are interested in applying machine learning to various outstanding physical problems, in particular in inverse problems and approximating physical processes; understanding what the learned model really represents; and connecting tools and insights from physical sciences to the study of machine learning models. In particular, the workshop invites researchers to contribute papers that demonstrate cutting-edge progress in the application of machine learning techniques to real-world problems in physical sciences, and using physical insights to understand what the learned model means.

By bringing together machine learning researchers and physical scientists who apply machine learning, we expect to strengthen the interdisciplinary dialogue, introduce exciting new open problems to the broader community, and stimulate production of new approaches to solving open problems in sciences. Invited talks from leading individuals in both communities will cover the state-of-the-art techniques and set the stage for this workshop.

08:10 AM Opening Remarks
Atilim Gunes Baydin, Juan Carrasquilla, Shirley Ho, Karthik Kashinath, Michela Paganini, Savannah Thais, Anima Anandkumar, Kyle Cranmer, Roger Melko, Mr. Prabhat, Frank Wood
08:20 AM Bernhard Schölkopf (Invited Talk 1)|| Bernhard Schölkopf
09:00 AM Towards physics-informed deep learning for turbulent flow prediction (Contributed talk 1)|| Rose Yu
09:20 AM JAX, M.D.: End-to-End Differentiable, Hardware Accelerated, Molecular Dynamics in Pure Python (Contributed Talk 2)|| Sam Schoenholz
09:40 AM Morning Coffee Break & Poster Session (Coffee Break)||
Eric Metodiev, Keming Zhang, Markus Stoye, Michael Churchill, Soumalya Sarkar, Miles Cranmer, Johann Brehmer, Danilo Jimenez Rezende, Peter Harrington, Akshat Nigam, Nils Thuerey, Lukasz Maziarka, Alvaro Sanchez Gonzalez, Atakan Okan, James Ritchie, N. Benjamin Erichson, Harvey Cheng, Peihong Jiang, Seong Ho Pahng, Samson Koelle, Sami Khairy, Adrian Pol, Rushil Anirudh, Jannis Born, Benjamin Sanchez-Lengeling, Brian Timar, Rhys Goodall, Tamás Kriváchy, Lu Lu, Thomas Adler, Nat Trask, Noëlie Cherrier, Tomo Konno, Muhammad Kasim, Tobias Golling, Zaccary Alperstein, Andrei Ustyuzhanin, James Stokes, Anna Golubeva, Ian Char, Ksenia Korovina, Youngwoo Cho, Chanchal Chatterjee, Tom Westerhout, Gorka Muñoz-Gil, Juan Zamudio-Fernandez, Jennifer Wei, Brian Lee, Johannes Kofler, Bruce Power, Nikita Kazeev, Andrey Ustyuzhanin, Artem Maevskiy, Pascal Friederich, Arash Tavakoli, Willie Neiswanger, Bohdan Kulchytskyy, sindhu hari, Paul Leu, Paul Atzberger
10:40 AM Katie Bouman (Invited Talk 2)|| Katie Bouman
11:20 AM Alán Aspuru-Guzik (Invited Talk 3)|| Alan Aspuru-Guzik
12:00 PM Hamiltonian Graph Networks with ODE Integrators (Contributed Talk 3)|| Alvaro Sanchez Gonzalez
12:20 PM Lunch Break
02:00 PM Maria Schuld (Invited Talk 4)|| Maria Schuld
02:40 PM Lenka Zdeborova (Invited Talk 5)|| Lenka Zdeborová
03:20 PM Afternoon Coffee Break & Poster Session (Coffee Break)||
Heidi Komkov, Stanislav Fort, Zhaoyou Wang, Rose Yu, Ji Hwan Park, Sam Schoenholz, Taoli Cheng, Ryan-Rhys Griffiths, Chase Shimmin, Surya Karthik Mukkavili, Philippe Schwaller, Christian Knoll, Andrew Sun, Keiichi Kisamori, Gavin Graham, Gavin Portwood, Hsin-Yuan Huang, Paul Novello, Moritz Munchmeyer, Anna Jungbluth, Daniel Levine, Ibrahim Ayed, Steven Atkinson, Jan Hermann, Peter Grönquist, , Priyabrata Saha, Nick Glaser, Lingge Li, Yutaro Iiyama, Rushil Anirudh, Maciej Koch-Janusz, Vikram Sundar, Francois Lanusse, , Jonas Köhler, Jacky Yip, jiadong guo, Xiangyang Ju, Adi Hanuka, Adrian Albert, Valentina M. Salvatelli, Mauro Verzetti, Javier Duarte, Eric Moreno, Emmanuel de Bézenac, Athanasios Vlontzos, Alok Singh, Thomas Klijnsma, Brad Neuberg, Paul Wright, Mustafa Mustafa, David Schmidt, Steven Farrell, Hao Sun
04:20 PM Towards an understanding of wide, deep neural networks (Invited Talk 6)|| Yasaman Bahri
05:00 PM Learning Symbolic Physics with Graph Networks (Contributed Talk 4)|| Miles Cranmer
05:20 PM Metric Methods with Open Collider Data (Contributed Talk 5)|| Eric Metodiev
05:40 PM Equivariant Hamiltonian Flows (Contributed Talk 6)|| Danilo Jimenez Rezende

Author Information

Atilim Gunes Baydin (University of Oxford)
Juan Carrasquilla
Shirley Ho (Flatiron institute)
Karthik Kashinath (LBNL)
Michela Paganini (Facebook AI Research)
Savannah Thais (Princeton University)
Anima Anandkumar (NVIDIA / Caltech)

Anima Anandkumar is a Bren professor at Caltech CMS department and a director of machine learning research at NVIDIA. Her research spans both theoretical and practical aspects of large-scale machine learning. In particular, she has spearheaded research in tensor-algebraic methods, non-convex optimization, probabilistic models and deep learning. Anima is the recipient of several awards and honors such as the Bren named chair professorship at Caltech, Alfred. P. Sloan Fellowship, Young investigator awards from the Air Force and Army research offices, Faculty fellowships from Microsoft, Google and Adobe, and several best paper awards. Anima received her B.Tech in Electrical Engineering from IIT Madras in 2004 and her PhD from Cornell University in 2009. She was a postdoctoral researcher at MIT from 2009 to 2010, a visiting researcher at Microsoft Research New England in 2012 and 2014, an assistant professor at U.C. Irvine between 2010 and 2016, an associate professor at U.C. Irvine between 2016 and 2017 and a principal scientist at Amazon Web Services between 2016 and 2018.

Kyle Cranmer (New York University)

Kyle Cranmer is an Associate Professor of Physics at New York University and affiliated with NYU's Center for Data Science. He is an experimental particle physicists working, primarily, on the Large Hadron Collider, based in Geneva, Switzerland. He was awarded the Presidential Early Career Award for Science and Engineering in 2007 and the National Science Foundation's Career Award in 2009. Professor Cranmer developed a framework that enables collaborative statistical modeling, which was used extensively for the discovery of the Higgs boson in July, 2012. His current interests are at the intersection of physics and machine learning and include inference in the context of intractable likelihoods, development of machine learning models imbued with physics knowledge, adversarial training for robustness to systematic uncertainty, the use of generative models in the physical sciences, and integration of reproducible workflows in the inference pipeline.

Roger Melko (University of Waterloo / Perimeter Institute)
Mr. Prabhat (LBL/NERSC)
Frank Wood (University of British Columbia)

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