Search Results for author: Romit Maulik

Found 38 papers, 7 papers with code

Binned Spectral Power Loss for Improved Prediction of Chaotic Systems

no code implementations1 Feb 2025 Dibyajyoti Chakraborty, Arvind T. Mohan, Romit Maulik

We demonstrate that the BSP loss mitigates the well-known problem of spectral bias in deep learning.

Semi-Implicit Neural Ordinary Differential Equations

1 code implementation15 Dec 2024 Hong Zhang, Ying Liu, Romit Maulik

Classical neural ODEs trained with explicit methods are intrinsically limited by stability, crippling their efficiency and robustness for stiff learning problems that are common in graph learning and scientific machine learning.

Graph Classification Graph Learning

Improved deep learning of chaotic dynamical systems with multistep penalty losses

no code implementations8 Oct 2024 Dibyajyoti Chakraborty, Seung Whan Chung, Ashesh Chattopadhyay, Romit Maulik

Predicting the long-term behavior of chaotic systems remains a formidable challenge due to their extreme sensitivity to initial conditions and the inherent limitations of traditional data-driven modeling approaches.

Scalable and Consistent Graph Neural Networks for Distributed Mesh-based Data-driven Modeling

no code implementations2 Oct 2024 Shivam Barwey, Riccardo Balin, Bethany Lusch, Saumil Patel, Ramesh Balakrishnan, Pinaki Pal, Romit Maulik, Venkatram Vishwanath

This work develops a distributed graph neural network (GNN) methodology for mesh-based modeling applications using a consistent neural message passing layer.

Graph Neural Network

A competitive baseline for deep learning enhanced data assimilation using conditional Gaussian ensemble Kalman filtering

no code implementations22 Sep 2024 Zachariah Malik, Romit Maulik

Ensemble Kalman Filtering (EnKF) is a popular technique for data assimilation, with far ranging applications.

Measure-Theoretic Time-Delay Embedding

1 code implementation13 Sep 2024 Jonah Botvinick-Greenhouse, Maria Oprea, Romit Maulik, Yunan Yang

The celebrated Takens' embedding theorem provides a theoretical foundation for reconstructing the full state of a dynamical system from partial observations.

Mesh-based Super-Resolution of Fluid Flows with Multiscale Graph Neural Networks

no code implementations12 Sep 2024 Shivam Barwey, Pinaki Pal, Saumil Patel, Riccardo Balin, Bethany Lusch, Venkatram Vishwanath, Romit Maulik, Ramesh Balakrishnan

To facilitate mesh-based GNN representations in a manner similar to spectral (or finite) element discretizations, a baseline GNN layer (termed a message passing layer, which updates local node properties) is modified to account for synchronization of coincident graph nodes, rendering compatibility with commonly used element-based mesh connectivities.

Graph Neural Network Super-Resolution

Higher order quantum reservoir computing for non-intrusive reduced-order models

no code implementations31 Jul 2024 Vinamr Jain, Romit Maulik

By mapping the dynamical state to a suitable quantum representation amenable to unitary operations, QRC is able to predict complex nonlinear dynamical systems in a stable and accurate manner.

Divide And Conquer: Learning Chaotic Dynamical Systems With Multistep Penalty Neural Ordinary Differential Equations

no code implementations30 Jun 2024 Dibyajyoti Chakraborty, Seung Whan Chung, Troy Arcomano, Romit Maulik

In addition to the deviation from the training data, the optimization loss term further penalizes the discontinuities of the predicted trajectory between the time windows.

A note on the error analysis of data-driven closure models for large eddy simulations of turbulence

no code implementations27 May 2024 Dibyajyoti Chakraborty, Shivam Barwey, Hong Zhang, Romit Maulik

We also demonstrate that this error is significantly affected by the time step size and the Jacobian which play a role in amplifying the initial one-step error made by using the closure.

Trajectory Prediction

LUCIE: A Lightweight Uncoupled ClImate Emulator with long-term stability and physical consistency for O(1000)-member ensembles

no code implementations25 May 2024 Haiwen Guan, Troy Arcomano, Ashesh Chattopadhyay, Romit Maulik

We further discuss an improved training strategy with a hard-constrained first-order integrator to suppress autoregressive error growth, a novel spectral regularization strategy to better capture fine-scale dynamics, and finally an optimization algorithm that enables data-limited (as low as $2$ years of $6$-hourly data) training of the emulator without losing stability and physical consistency.

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

Scaling transformer neural networks for skillful and reliable medium-range weather forecasting

1 code implementation6 Dec 2023 Tung Nguyen, Rohan Shah, Hritik Bansal, Troy Arcomano, Romit Maulik, Veerabhadra Kotamarthi, Ian Foster, Sandeep Madireddy, Aditya Grover

At the core of Stormer is a randomized forecasting objective that trains the model to forecast the weather dynamics over varying time intervals.

Weather Forecasting

Interpretable A-posteriori Error Indication for Graph Neural Network Surrogate Models

no code implementations13 Nov 2023 Shivam Barwey, Hojin Kim, 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 Neural Network 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.

scientific discovery

Robust experimental data assimilation for the Spalart-Allmaras turbulence model

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

This calibration relies on the assimilation of experimental data collected in the form of velocity profiles, skin friction, and pressure coefficients.

Friction

Generalizable data-driven turbulence closure modeling on unstructured grids with differentiable physics

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

Our end-to-end learning paradigm demonstrates a viable pathway for physically consistent and generalizable data-driven closure modeling across complex geometries.

Graph Neural Network

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 Deep Learning

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.

Graph Neural Network

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.

Deep Reinforcement Learning reinforcement-learning +2

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.

Diversity

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 Deep 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).

Graph Neural Network Molecular Property Prediction +1

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