Accepted Papers

Contributed Talks

   
26 Learning general-purpose CNN-based simulators for astrophysical turbulence. Poster Contact: alvarosg@google.com Authors: Sanchez-Gonzalez, Alvaro*; Stachenfeld, Kimberly; Fielding, Drummond; Kochkov, Dmitrii; Cranmer, Miles; Pfaff, Tobias; Godwin, Jonathan; Cui, Can; Ho, Shirley; Battaglia, Peter
42 Learning 3D Granular Flow Simulations. Poster Contact: mayr@ml.jku.at Authors: Mayr, Andreas*; Lehner, Sebastian; Mayrhofer, Arno; Kloss, Christoph; Hochreiter, Sepp; Brandstetter, Johannes
62 ForceNet: A Graph Neural Network for Large-Scale Quantum Calculations. Poster Contact: weihuahu@stanford.edu Authors: Hu, Weihua*; Shuaibi, Muhammed; Das, Abhishek; Goyal, Siddharth; Sriram, Anuroop; Leskovec, Jure; Parikh, Devi; Zitnick, Larry

Original Research

   
1 Persistent Message Passing. Poster Contact: petarv@google.com Authors: Strathmann, Heiko; Barekatain, Mohammadamin; Blundell, Charles ; Veličković, Petar*
2 Deep Reinforcement Learning for Furniture Layout Simulation in Indoor Graphics Scenes. Poster Contact: deepearthgo@gmail.com Authors: DI, XINHAN*; Yu, Pengqian
3 Clues for Noise Robustness of State Estimation: Error-curve Quest of Neural Network and Linear Regression. Poster Contact: mojamojataichi@gmail.com Authors: Nakamura, Taichi*; Fukami, Kai; Fukagata, Koji
4 Supervised convolutional networks for volumetric data enrichment from limited sectional data with adaptive super resolution. Poster Contact: duya3pos8@keio.jp Authors: Matsuo, Mitsuaki*; Fukami, Kai; Nakamura, Taichi; Morimoto, Masaki; Fukagata, Koji
5 Active learning of deep surrogates for PDEs Poster Contact: raphael.pestourie@gmail.com Authors: Pestourie, Raphaël*; Chomette, Gregoire; Mroueh, Youssef; Das, Payel; Radovitzky, Raul ; Johnson, Steven
7 Hard Encoding of Physics for Learning Spatiotemporal Dynamics. Poster Contact: yang1.liu@northeastern.edu Authors: Rao, Chengping; Sun, Hao; Liu, Yang*
8 Towards an Operationally Meaningful, Explainable Emulator for the Boussinesq equation. Poster Contact: eloisa.bentivegna@ibm.com Authors: Bentivegna, Eloisa*
9 LEARNED SIMULATORS THAT SATISFY THE LAWS OF THERMODYNAMICS. Poster Contact: ecueto@unizar.es Authors: Hernandez, Quercus; Moya, Beatriz; Badias, Alberto; Chinesta, Francisco; Cueto, Elias*
10 Meta-learning using privileged information for dynamics. Poster Contact: bjd39@cam.ac.uk Authors: Day, Ben J*; Norcliffe, Alexander LI; Moss, Jacob; Lió, Pietro
12 Scaffolding Simulations with Deep Learning for High-dimensional Deconvolution. Poster Contact: bpnachman@lbl.gov Authors: Andreassen, Anders; Kominske, Patrick; Metodiev, Eric; Nachman, Benjamin*; Suresh, Adi; Thaler, Jesse
13 Towards Efficient Uncertainty estimation in deep learning for robust energy prediction in materials chemistry. Poster Contact: zhangj@ornl.gov Authors: Bi, Sirui; Fung, Victor; Zhang, Jiaxin*; Zhang, Guannan
16 Learning the exchange-correlation functional from nature. Poster Contact: muhammad.kasim@physics.ox.ac.uk Authors: Kasim, Muhammad F*; Vinko, Sam
17 One-shot learning for solution operators of partial differential equations. Poster Contact: lu_lu@mit.edu Authors: Lu, Lu*; He, Haiyang; Kasimbeg, Priya; Ranade, Rishikesh; Pathak, Jay
18 Amplifying Statistics with Ensembles of Generative Models. Poster Contact: sascha.diefenbacher@desy.de Authors: Butter, Anja; Diefenbacher, Sascha*; Kasieczka, Gregor ; Nachman, Benjamin; Plehn, Tilman
19 A Machine-Learning Surrogate Model for Ab-initio Electronic Correlations at Extreme Conditions. Poster Contact: t.dornheim@hzdr.de Authors: Dornheim, Tobias*; Moldabekov, Zhandos A.; Cangi, Attila
20 Adversarial autoencoders and adversarial LSTM for improved forecasts of urban air pollution simulations cesar. Poster Contact: quilodran-casas13@imperial.ac.uk Authors: Quilodrán Casas, César*; Arcucci, Rossella; Mottet, Laetitia; Guo, Yike; Pain, Christopher
21 Improving Simulations with Symmetry Control Neural Networks. Poster Contact: sven.krippendorf@physik.lmu.de Authors: Syvaeri, Marc; Krippendorf, Sven*
22 A latent space solver for PDE generalization. Poster Contact: rishikesh.ranade@ansys.com Authors: Ranade, Rishikesh*; Hill, Chris; He, Haiyang; Maleki, Amir; Pathak, Jay
24 Data-Driven Shadowgraph Simulation of a 3D Object. Poster Contact: a.willmann@hzdr.de Authors: Willmann, Anna*; Stiller, Patrick; Debus, Alexander; Irman, Arie; Pausch, Richard; Chang, Yen-Yu; Bussmann, Michael; Hoffmann, Nico
27 ProGAE: A Geometric Generative Model for Disentangling Protein Conformational Space. Poster Contact: tatron@rpi.edu Authors: Tatro, Norman J*; Das, Payel; Chen, Pin-Yu; Chenthamarakshan, Vijil; Lai, Rongjie
28 boxLCD: A Simple Testbed for Learned Simulator Research. Poster Contact: matthew.b.wilson@utah.edu Author: Wilson, Matthew*
29 Improving Solar Cell Metallization Designs using Convolutional Neural Networks. Poster Contact: sumitbhattacharya985@gmail.com Authors: Bhattacharya, Sumit *; Arya, Devanshu; Bhowmick, Debjani; Thomas, Rajat; Gupta, Deepak K
30 Online parameter inference for the simulation of a Bunsen flame using heteroscedastic Bayesian neural network ensembles. Poster Contact: mlc70@cam.ac.uk Author: Croci, Maximilian*
31 Generative models for particle shower simulation in fundamental physics. Poster Contact: sascha.diefenbacher@desy.de Authors: Buhmann, Erik; Diefenbacher, Sascha*; Eren, Engin; Gaede, Frank; Hundhausen, Daniel; Kasieczka, Gregor ; Korcari, William; Krueger, Katja; Korol, Anatolii; McKeown, Peter; Rustige, Lennart
32 Invertible Surrogate Models: Joint Surrogate Modelling and Reconstruction of Laser Wakefield Acceleration by Invertible Neural Networks. Poster Contact: n.hoffmann@hzdr.de Authors: Bethke, Friedrich; Pausch, Richard; Stiller, Patrick; Debus, Alexander; Bussmann, Michael; Hoffmann, Nico*
33 Finite Volume Neural Network: Modeling Subsurface Contaminant Transport. Poster Contact: timothy.praditia@iws.uni-stuttgart.de Authors: Praditia, Timothy*; Karlbauer, Matthias; Otte, Sebastian; Oladyshkin, Sergey; Butz, Martin V.; Nowak, Wolfgang
34 Accelerating Lagrangian Fluid Simulation with Graph Neural Networks. Poster Contact: zijieli@andrew.cmu.edu Authors: li, zijie*; Barati Farimani, Amir
35 Differentiable sampling of molecular geometries with uncertainty-based adversarial attacks. Poster Contact: rafagb@mit.edu Authors: Schwalbe-Koda, Daniel; Tan, Aik Rui; Gomez-Bombarelli, Rafael*
36 CosmicRIM : Reconstructing Early Universe by Combining Differentiable Simulations with Recurrent Inference Machines. Poster Contact: modichirag@berkeley.edu Authors: Modi, Chirag*; Lanusse, Francois; Seljak, Uros; Spergel, David
37 Efficient data selection methods for the development of machine learned potentials. Poster Contact: jan.finkbeiner@t-online.de Authors: Finkbeiner, Jan*; Tovey, Samuel
39 Accelerating Simulation of Stiff Nonlinear Systems using Continuous Time Echo State Networks. Poster Contact: ranjan.anantharaman@gmail.com Author: Anantharaman, Ranjan*
40 Histogram Pooling Operators: An Interpretable Alternative for Deep Sets. Poster Contact: miles.cranmer@gmail.com Authors: Cranmer, Miles*; Kreisch, Christina D; Pisani, Alice; Villaescusa-Navarro, Francisco; Spergel, David; Ho, Shirley
41 Multi-channel particle physics detector simulation with graph variational autoencoders. Poster Contact: aah71@mail.aub.edu Authors: Hariri, Ali*; Dyachkova, Darya; Gleyzer, Sergei
43 Direct Prediction of Steady-State Flow Fields in Meshed Domain with Graph Networks. Poster Contact: lukas.harsch@ihs.uni-stuttgart.de Authors: Harsch, Lukas*; Riedelbauch, Stefan
44 Forecasting Variable-Density 3D Turbulent Flow. Poster Contact: r.walters@northeastern.edu Authors: Su, Xingyu; Walters, Robin*; Aslangil, Denis; Yu, Rose
45 Simulation Domain Generation for Characterization of Shale Source Rocks. Poster Contact: timothy.anderson@stanford.edu Authors: Anderson, Timothy*; Vega, Bolivia; Froute, Laura; Guan, Kelly; Kovscek, Anthony
46 An Extensible Benchmark Suite for Learning to Simulate Physical Systems. Poster Contact: karl.otness@nyu.edu Authors: Otness, Karl*; Gjoka, Arvi; Bruna, Joan; Panozzo, Daniele; Peherstorfer, Benjamin; Schneider, Teseo; Zorin, Denis
47 Simulating Continuous-time Human Mobility Trajectories. Poster Contact: nanx@usc.edu Authors: Xu, Nan*; Trinh, Loc; Rambhatla, Sirisha; Assefa, Samuel A; Chen, Jiahao; Zeng, Zhen; Liu, Yan
48 Multigrid solver with super-resolved interpolation. Poster Contact: opaco450@gmail.com Authors: Holguin, Francisco*; Sidharth, G S; Portwood, Gavin
49 Deep Discrete-Time Lagrangian Mechanics. Poster Contact: matsubara@sys.es.osaka-u.ac.jp Authors: Aoshima, Takehiro; Matsubara, Takashi*; Yaguchi, Takaharu
51 Towards Designing and Exploiting Generative Networks for Neutrino Physics Experiments using Liquid Argon Time Projection Chambers. (no poster) Contact: taritree.wongjirad@tufts.edu Authors: Wongjirad, Taritree*; Aeron, Shuchin; Lutkus, Paul
52 A prediction interval method for uncertainty quantification of regression models. Poster Contact: zhangg@ornl.gov Authors: Zhang, Pei; Liu, Siyan; Lu, Dan; Zhang, Guannan*; Sankaran, Ramanan
53 INDUCTIVE BIAS GRAPH NETWORK FOR ROBUST MOLECULAR DYNAMICS. Poster Contact: prajak@anl.gov Authors: Rajak, Pankaj*; Krishnamoorthy, Aravind; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya; Cubuk, Ekin D
54 Inference of cell dynamics on perturbation data with adjoint sensitivity. Poster Contact: silideng@mit.edu Authors: Ji, Weiqi; Yuan, Bo; Shen, Ciyue; Regev, Aviv; Sander, Chris; Deng, Sili*
55 Learning Operations for Neural PDE Solvers. (Version with appendix) Poster Contact: khodak@cmu.edu Authors: Roberts, Nicholas; Khodak, Mikhail*; Dao, Tri; Li, Liam; Re, Christopher; Talwalkar, Ameet
57 Deep Learning Hamiltonian Monte Carlo. Poster Contact: foremans@anl.gov Authors: Foreman, Sam*; Jin, Xiaoyong; Osborn, James
59 Rediscovering Newton’s gravity and Solar System properties using deep learning and inductive biases. Poster Contact: plemos91@gmail.com Authors: Lemos, Pablo*; Jeffrey, Niall; Cranmer, Miles; Battaglia, Peter; Ho, Shirley