Search Results for author: Romit Maulik

Found 27 papers, 4 papers with code

Leveraging Interpolation Models and Error Bounds for Verifiable Scientific Machine Learning

1 code implementation4 Apr 2024 Tyler Chang, Andrew Gillette, Romit Maulik

In this work, we present a best-of-both-worlds approach to verifiable scientific machine learning by demonstrating that (1) multiple standard interpolation techniques have informative error bounds that can be computed or estimated efficiently; (2) comparative performance among distinct interpolants can aid in validation goals; (3) deploying interpolation methods on latent spaces generated by deep learning techniques enables some interpretability for black-box models.

Data-Driven Physics-Informed Neural Networks: A Digital Twin Perspective

no code implementations5 Jan 2024 Sunwoong Yang, Hojin Kim, Yoonpyo Hong, Kwanjung Yee, Romit Maulik, Namwoo Kang

This study explores the potential of physics-informed neural networks (PINNs) for the realization of digital twins (DT) from various perspectives.

Uncertainty Quantification

Interpretable Fine-Tuning for Graph Neural Network Surrogate Models

no code implementations13 Nov 2023 Shivam Barwey, Romit Maulik

Data-driven surrogate modeling has surged in capability in recent years with the emergence of graph neural networks (GNNs), which can operate directly on mesh-based representations of data.

Graph Sampling

DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies

no code implementations6 Oct 2023 Shuaiwen Leon Song, Bonnie Kruft, Minjia Zhang, Conglong Li, Shiyang Chen, Chengming Zhang, Masahiro Tanaka, Xiaoxia Wu, Jeff Rasley, Ammar Ahmad Awan, Connor Holmes, Martin Cai, Adam Ghanem, Zhongzhu Zhou, Yuxiong He, Pete Luferenko, Divya Kumar, Jonathan Weyn, Ruixiong Zhang, Sylwester Klocek, Volodymyr Vragov, Mohammed AlQuraishi, Gustaf Ahdritz, Christina Floristean, Cristina Negri, Rao Kotamarthi, Venkatram Vishwanath, Arvind Ramanathan, Sam Foreman, Kyle Hippe, Troy Arcomano, Romit Maulik, Maxim Zvyagin, Alexander Brace, Bin Zhang, Cindy Orozco Bohorquez, Austin Clyde, Bharat Kale, Danilo Perez-Rivera, Heng Ma, Carla M. Mann, Michael Irvin, J. Gregory Pauloski, Logan Ward, Valerie Hayot, Murali Emani, Zhen Xie, Diangen Lin, Maulik Shukla, Ian Foster, James J. Davis, Michael E. Papka, Thomas Brettin, Prasanna Balaprakash, Gina Tourassi, John Gounley, Heidi Hanson, Thomas E Potok, Massimiliano Lupo Pasini, Kate Evans, Dan Lu, Dalton Lunga, Junqi Yin, Sajal Dash, Feiyi Wang, Mallikarjun Shankar, Isaac Lyngaas, Xiao Wang, Guojing Cong, Pei Zhang, Ming Fan, Siyan Liu, Adolfy Hoisie, Shinjae Yoo, Yihui Ren, William Tang, Kyle Felker, Alexey Svyatkovskiy, Hang Liu, Ashwin Aji, Angela Dalton, Michael Schulte, Karl Schulz, Yuntian Deng, Weili Nie, Josh Romero, Christian Dallago, Arash Vahdat, Chaowei Xiao, Thomas Gibbs, Anima Anandkumar, Rick Stevens

In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences.

Generalizable improvement of the Spalart-Allmaras model through assimilation of experimental data

no code implementations13 Sep 2023 Deepinder Jot Singh Aulakh, Xiang Yang, Romit Maulik

This calibration relies on the assimilation of experimental data collected velocity profiles, skin friction, and pressure coefficients for separated flows.

Friction

Differentiable Turbulence II

no code implementations25 Jul 2023 Varun Shankar, Romit Maulik, Venkatasubramanian Viswanathan

Differentiable fluid simulators are increasingly demonstrating value as useful tools for developing data-driven models in computational fluid dynamics (CFD).

Differentiable Turbulence: Closure as a partial differential equation constrained optimization

no code implementations7 Jul 2023 Varun Shankar, Dibyajyoti Chakraborty, Venkatasubramanian Viswanathan, Romit Maulik

Deep learning is increasingly becoming a promising pathway to improving the accuracy of sub-grid scale (SGS) turbulence closure models for large eddy simulations (LES).

Computational Efficiency

Importance of equivariant and invariant symmetries for fluid flow modeling

no code implementations3 May 2023 Varun Shankar, Shivam Barwey, Zico Kolter, Romit Maulik, Venkatasubramanian Viswanathan

Graph neural networks (GNNs) have shown promise in learning unstructured mesh-based simulations of physical systems, including fluid dynamics.

Generative modeling of time-dependent densities via optimal transport and projection pursuit

no code implementations19 Apr 2023 Jonah Botvinick-Greenhouse, Yunan Yang, Romit Maulik

Motivated by the computational difficulties incurred by popular deep learning algorithms for the generative modeling of temporal densities, we propose a cheap alternative which requires minimal hyperparameter tuning and scales favorably to high dimensional problems.

Quantifying uncertainty for deep learning based forecasting and flow-reconstruction using neural architecture search ensembles

no code implementations20 Feb 2023 Romit Maulik, Romain Egele, Krishnan Raghavan, Prasanna Balaprakash

We demonstrate the feasibility of this framework for two tasks - forecasting from historical data and flow reconstruction from sparse sensors for the sea-surface temperature.

Bayesian Optimization Decision Making +3

Multiscale Graph Neural Network Autoencoders for Interpretable Scientific Machine Learning

no code implementations13 Feb 2023 Shivam Barwey, Varun Shankar, Venkatasubramanian Viswanathan, Romit Maulik

The goal of this work is to address two limitations in autoencoder-based models: latent space interpretability and compatibility with unstructured meshes.

Differentiable physics-enabled closure modeling for Burgers' turbulence

no code implementations23 Sep 2022 Varun Shankar, Vedant Puri, Ramesh Balakrishnan, Romit Maulik, Venkatasubramanian Viswanathan

Data-driven turbulence modeling is experiencing a surge in interest following algorithmic and hardware developments in the data sciences.

Stabilized Neural Ordinary Differential Equations for Long-Time Forecasting of Dynamical Systems

no code implementations29 Mar 2022 Alec J. Linot, Joshua W. Burby, Qi Tang, Prasanna Balaprakash, Michael D. Graham, Romit Maulik

We present a data-driven modeling method that accurately captures shocks and chaotic dynamics by proposing a novel architecture, stabilized neural ordinary differential equation (ODE).

Multi-fidelity reinforcement learning framework for shape optimization

no code implementations22 Feb 2022 Sahil Bhola, Suraj Pawar, Prasanna Balaprakash, Romit Maulik

One key limitation of conventional DRL methods is their episode-hungry nature which proves to be a bottleneck for tasks which involve costly evaluations of a numerical forward model.

reinforcement-learning Reinforcement Learning (RL) +1

AutoDEUQ: Automated Deep Ensemble with Uncertainty Quantification

no code implementations26 Oct 2021 Romain Egele, Romit Maulik, Krishnan Raghavan, Bethany Lusch, Isabelle Guyon, Prasanna Balaprakash

However, building ensembles of neural networks is a challenging task because, in addition to choosing the right neural architecture or hyperparameters for each member of the ensemble, there is an added cost of training each model.

Uncertainty Quantification

Assessments of epistemic uncertainty using Gaussian stochastic weight averaging for fluid-flow regression

no code implementations16 Sep 2021 Masaki Morimoto, Kai Fukami, Romit Maulik, Ricardo Vinuesa, Koji Fukagata

The average of such an ensemble can be regarded as the `mean estimation', whereas its standard deviation can be used to construct `confidence intervals', which enable us to perform uncertainty quantification (UQ) with regard to the training process of neural networks.

regression Uncertainty Quantification

Data-Driven Wind Turbine Wake Modeling via Probabilistic Machine Learning

no code implementations6 Sep 2021 S. Ashwin Renganathan, Romit Maulik, Stefano Letizia, Giacomo Valerio Iungo

Physics-based models that capture the wake flow-field with high-fidelity are computationally very expensive to perform layout optimization of wind farms, and, thus, data-driven reduced order models can represent an efficient alternative for simulating wind farms.

Active Learning BIG-bench Machine Learning

Learning the temporal evolution of multivariate densities via normalizing flows

no code implementations29 Jul 2021 Yubin Lu, Romit Maulik, Ting Gao, Felix Dietrich, Ioannis G. Kevrekidis, Jinqiao Duan

Specifically, the learned map is a multivariate normalizing flow that deforms the support of the reference density to the support of each and every density snapshot in time.

Data-driven geophysical forecasting: Simple, low-cost, and accurate baselines with kernel methods

no code implementations13 Feb 2021 Boumediene Hamzi, Romit Maulik, Houman Owhadi

Modeling geophysical processes as low-dimensional dynamical systems and regressing their vector field from data is a promising approach for learning emulators of such systems.

Global field reconstruction from sparse sensors with Voronoi tessellation-assisted deep learning

1 code implementation3 Jan 2021 Kai Fukami, Romit Maulik, Nesar Ramachandra, Koji Fukagata, Kunihiko Taira

This reconstruction problem is especially difficult when sensors are sparsely positioned in a seemingly random or unorganized manner, which is often encountered in a range of scientific and engineering problems.

Super-Resolution

Deploying deep learning in OpenFOAM with TensorFlow

2 code implementations1 Dec 2020 Romit Maulik, Himanshu Sharma, Saumil Patel, Bethany Lusch, Elise Jennings

We outline the development of a data science module within OpenFOAM which allows for the in-situ deployment of trained deep learning architectures for general-purpose predictive tasks.

BIG-bench Machine Learning

Meta-modeling strategy for data-driven forecasting

no code implementations14 Nov 2020 Dominic J. Skinner, Romit Maulik

Accurately forecasting the weather is a key requirement for climate change mitigation.

BIG-bench Machine Learning

Latent-space time evolution of non-intrusive reduced-order models using Gaussian process emulation

no code implementations23 Jul 2020 Romit Maulik, Themistoklis Botsas, Nesar Ramachandra, Lachlan Robert Mason, Indranil Pan

We assess the viability of this algorithm for an advection-dominated system given by the inviscid shallow water equations.

Probabilistic neural networks for fluid flow surrogate modeling and data recovery

1 code implementation8 May 2020 Romit Maulik, Kai Fukami, Nesar Ramachandra, Koji Fukagata, Kunihiko Taira

We consider the use of probabilistic neural networks for fluid flow surrogate modeling and data recovery.

Fluid Dynamics

Site-specific graph neural network for predicting protonation energy of oxygenate molecules

no code implementations18 Sep 2019 Romit Maulik, Rajeev Surendran Array, Prasanna Balaprakash

These oxygenated molecules have adequate carbon, hydrogen, and oxygen atoms that can be used for developing new value-added molecules (chemicals or transportation fuels).

Molecular Property Prediction Property Prediction

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