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20162026
most citedTheory-guided Data Science: A New Paradigm for Scientific Discovery from Data

1.7k citations · 2.5k across the 48 of their papers we have counts for

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29 papers · 1 filter

cs.LG2026

LakeFM: Toward a Foundation Model for Aquatic Ecosystems Using Irregular Multivariate Multi-depth Time Series Data

Abhilash Neog, Sepideh Fatemi, Medha Sawhney +9

Understanding and forecasting lake dynamics is critical for monitoring water quality and ecosystem health across lakes and reservoirs. While machine learning methods have been rece…

cs.LG2025

PRISMA: Improving the Accuracy-Latency Frontier of Diffusion-based PDE Solvers Using Physics-Informed Spectral Attention

Medha Sawhney, Abhilash Neog, Mridul Khurana +1

Diffusion-based solvers for partial differential equations (PDEs) are often bottle-necked by slow gradient-based test-time optimization routines that use PDE residuals for loss gui…

cs.LG2025

Investigating a Model-Agnostic and Imputation-Free Approach for Irregularly-Sampled Multivariate Time-Series Modeling

Abhilash Neog, Arka Daw, Sepideh Fatemi Khorasgani +10

Modeling Irregularly-sampled and Multivariate Time Series (IMTS) is crucial across a variety of applications where different sets of variates may be missing at different time-steps…

cs.LG2024

A Unified Framework for Forward and Inverse Problems in Subsurface Imaging using Latent Space Translations

Naveen Gupta, Medha Sawhney, Arka Daw +2

In subsurface imaging, learning the mapping from velocity maps to seismic waveforms (forward problem) and waveforms to velocity (inverse problem) is important for several applicati…

cs.LG2024★ 11 cited

Knowledge-guided Machine Learning: Current Trends and Future Prospects

Anuj Karpatne, Xiaowei Jia, Vipin Kumar

This paper presents an overview of scientific modeling and discusses the complementary strengths and weaknesses of ML methods for scientific modeling in comparison to process-based…

cs.LG2023

Neuro-Visualizer: An Auto-encoder-based Loss Landscape Visualization Method

Mohannad Elhamod, Anuj Karpatne

In recent years, there has been a growing interest in visualizing the loss landscape of neural networks. Linear landscape visualization methods, such as principal component analysi…

cs.LG2023★ 1 cited

Discovering Novel Biological Traits From Images Using Phylogeny-Guided Neural Networks

Mohannad Elhamod, Mridul Khurana, Harish Babu Manogaran +15

Discovering evolutionary traits that are heritable across species on the tree of life (also referred to as a phylogenetic tree) is of great interest to biologists to understand how…

cs.LG2023

Let There Be Order: Rethinking Ordering in Autoregressive Graph Generation

Jie Bu, Kazi Sajeed Mehrab, Anuj Karpatne

Conditional graph generation tasks involve training a model to generate a graph given a set of input conditions. Many previous studies employ autoregressive models to incrementally…

cs.LG2022★ 2 cited

Multi-task Learning for Source Attribution and Field Reconstruction for Methane Monitoring

Arka Daw, Kyongmin Yeo, Anuj Karpatne +1

Inferring the source information of greenhouse gases, such as methane, from spatially sparse sensor observations is an essential element in mitigating climate change. While it is w…

cs.LG2022★ 35 cited

Mitigating Propagation Failures in Physics-informed Neural Networks using Retain-Resample-Release (R3) Sampling

Arka Daw, Jie Bu, Sifan Wang +2

Despite the success of physics-informed neural networks (PINNs) in approximating partial differential equations (PDEs), PINNs can sometimes fail to converge to the correct solution…

cs.LG2022

Physics-Guided Problem Decomposition for Scaling Deep Learning of High-dimensional Eigen-Solvers: The Case of Schrödinger's Equation

Sangeeta Srivastava, Samuel Olin, Viktor Podolskiy +3

Given their ability to effectively learn non-linear mappings and perform fast inference, deep neural networks (NNs) have been proposed as a viable alternative to traditional simula…

cs.LG2021

Adjoint-Matching Neural Network Surrogates for Fast 4D-Var Data Assimilation

Austin Chennault, Andrey A. Popov, Amit N. Subrahmanya +4

Data assimilation is the process of fusing information from imperfect computer simulations with noisy, sparse measurements of reality to obtain improved estimates of the state or p…

cs.LG2021★ 2 cited

Learning Compact Representations of Neural Networks using DiscriminAtive Masking (DAM)

Jie Bu, Arka Daw, M. Maruf +1

A central goal in deep learning is to learn compact representations of features at every layer of a neural network, which is useful for both unsupervised representation learning an…

cs.LG2021★ 37 cited

PID-GAN: A GAN Framework based on a Physics-informed Discriminator for Uncertainty Quantification with Physics

Arka Daw, M. Maruf, Anuj Karpatne

As applications of deep learning (DL) continue to seep into critical scientific use-cases, the importance of performing uncertainty quantification (UQ) with DL has become more pres…

cs.LG2021★ 132 cited

A Data-Driven Approach to Full-Field Damage and Failure Pattern Prediction in Microstructure-Dependent Composites using Deep Learning

Reza Sepasdar, Anuj Karpatne, Maryam Shakiba

An image-based deep learning framework is developed in this paper to predict damage and failure in microstructure-dependent composite materials. The work is motivated by the comple…

cs.LG2021★ 3 cited

Quadratic Residual Networks: A New Class of Neural Networks for Solving Forward and Inverse Problems in Physics Involving PDEs

Jie Bu, Anuj Karpatne

We propose quadratic residual networks (QRes) as a new type of parameter-efficient neural network architecture, by adding a quadratic residual term to the weighted sum of inputs be…

cs.LG2020★ 1 cited

Maximizing Cohesion and Separation in Graph Representation Learning: A Distance-aware Negative Sampling Approach

M. Maruf, Anuj Karpatne

The objective of unsupervised graph representation learning (GRL) is to learn a low-dimensional space of node embeddings that reflect the structure of a given unlabeled graph. Exis…

cs.LG2020★ 10 cited

CoPhy-PGNN: Learning Physics-guided Neural Networks with Competing Loss Functions for Solving Eigenvalue Problems

Mohannad Elhamod, Jie Bu, Christopher Singh +5

Physics-guided Neural Networks (PGNNs) represent an emerging class of neural networks that are trained using physics-guided (PG) loss functions (capturing violations in network out…

cs.LG2020★ 41 cited

Physics-Guided Machine Learning for Scientific Discovery: An Application in Simulating Lake Temperature Profiles

Xiaowei Jia, Jared Willard, Anuj Karpatne +4

Physics-based models of dynamical systems are often used to study engineering and environmental systems. Despite their extensive use, these models have several well-known limitatio…

cs.LG2019★ 17 cited

Physics-guided Design and Learning of Neural Networks for Predicting Drag Force on Particle Suspensions in Moving Fluids

Nikhil Muralidhar, Jie Bu, Ze Cao +4

Physics-based simulations are often used to model and understand complex physical systems and processes in domains like fluid dynamics. Such simulations, although used frequently,…

cs.LG2019★ 1 cited

Physics-Guided Architecture (PGA) of Neural Networks for Quantifying Uncertainty in Lake Temperature Modeling

Arka Daw, R. Quinn Thomas, Cayelan C. Carey +3

To simultaneously address the rising need of expressing uncertainties in deep learning models along with producing model outputs which are consistent with the known scientific know…

cs.LG2019

A Fast-Optimal Guaranteed Algorithm For Learning Sub-Interval Relationships in Time Series

Saurabh Agrawal, Saurabh Verma, Anuj Karpatne +3

Traditional approaches focus on finding relationships between two entire time series, however, many interesting relationships exist in small sub-intervals of time and remain feeble…

cs.LG2018★ 34 cited

Physics Guided Recurrent Neural Networks For Modeling Dynamical Systems: Application to Monitoring Water Temperature And Quality In Lakes

Xiaowei Jia, Anuj Karpatne, Jared Willard +5

In this paper, we introduce a novel framework for combining scientific knowledge within physics-based models and recurrent neural networks to advance scientific discovery in many d…

cs.LG2017★ 1 cited

Discovery of Shifting Patterns in Sequence Classification

Xiaowei Jia, Ankush Khandelwal, Anuj Karpatne +1

In this paper, we investigate the multi-variate sequence classification problem from a multi-instance learning perspective. Real-world sequential data commonly show discriminative…