activity
20172026
most citedVariational Bayesian Optimal Experimental Design with Normalizing Flows

13 citations · 27 across the 25 of their papers we have counts for

collaborators

27 papers

cs.CV2026

Dynamic Quadtree Tokenization and Transformer for Adaptive Mesh PDE Forecasting

Yilin Zhuang, Noah Zambrano, Karthik Duraisamy

The quadratic attention cost of Vision Transformers (ViTs) forces a trade-off between spatial resolution and rollout horizon, particularly for fine-scale PDEs where shocks, reactio…

cs.LG2026

In-context learning from self-generated trajectories for adaptive model reduction

Amirpasha Hedayat, Laura Balzano, Karthik Duraisamy

High-fidelity simulations of complex physical systems are often too expensive for repeated prediction, design, and control. Reduced-order models address this computational cost by…

cs.LG2026

Evolutionary Feature Engineering for Structured Data

Ege Onur Taga, Yilin Zhuang, M. Emrullah Ildiz +4

Large language models are increasingly used as open-ended search operators in evolutionary optimization. We introduce Evolutionary Feature Engineering (EFE), a framework for using…

cs.LG2026

History-aware adaptive reduced-order models via incremental singular value decomposition

Amirpasha Hedayat, Ali Mohaghegh, Laura Balzano +2

Reduced-order models (ROMs) can accelerate high-dimensional dynamical simulations, but their accuracy often deteriorates when online dynamics leave the regime represented by offlin…

math.NA2026

Fully Discrete Active Flux Method based on Transported Acoustic Increments for the Compressible Euler Equations

Karthik Duraisamy

A fully discrete Active Flux method is proposed for the two-dimensional compressible Euler equations. The method builds on the evolution-operator formulation of multidimensional Ac…

math-ph2026

Predictivity and Utility of Neural Surrogates of Multiscale PDEs

Karthik Duraisamy

Scientific machine learning is increasingly being spoken of as universal emulators for classical numerical solvers for multi-scale partial differential equations, but most apparent…

cs.LG2026

Toward Adaptive Non-Intrusive Reduced-Order Models: Design and Challenges

Amirpasha Hedayat, Alberto Padovan, Karthik Duraisamy

Projection-based Reduced Order Models (ROMs) are often deployed as static surrogates, which limits their practical utility once a system leaves the training manifold. We formalize…

stat.CO2025

Residual-augmented flow matching operators for probabilistic partial differential equations

Sahil Bhola, Karthik Duraisamy

Learning surrogate models for physical systems with latent uncertainty remains challenging in data-scarce regimes: deterministic neural operators fail to characterize uncertainty,…

cs.LG2025

Attention-Enhanced Convolutional Autoencoder and Structured Delay Embeddings for Weather Prediction

Amirpasha Hedayat, Karthik Duraisamy

Weather prediction is a quintessential problem involving the forecasting of a complex, nonlinear, and chaotic high-dimensional dynamical system. This work introduces an efficient r…

physics.plasm-ph2025

Asymptotic-preserving semi-implicit finite volume scheme for Extended Magnetohydrodynamics

Yi Han Toh, Joshua Dolence, Karthik Duraisamy

A Finite Volume (FV) scheme is developed for solving the extended magnetohydrodynamic (XMHD) equations, yielding accurate results in the ideal, resistive, and Hall MHD limits. This…

physics.flu-dyn2025

Two-point Turbulence Closures in Physical Space

Noah Zambrano, Karthik Duraisamy

This work presents a predictive two-point statistical closure framework for turbulence formulated in physical space. A closure model for ensemble-averaged, incompressible homogeneo…

physics.chem-ph2025★ 2 cited

Foundation Models for Discovery and Exploration in Chemical Space

Alexius Wadell, Anoushka Bhutani, Victor Azumah +26

Accurate prediction of atomistic, thermodynamic, and kinetic properties from molecular structures underpins materials innovation. Existing computational and experimental approaches…

cs.LG2025

LaDCast: A Latent Diffusion Model for Medium-Range Ensemble Weather Forecasting

Yilin Zhuang, Karthik Duraisamy

Accurate probabilistic weather forecasting demands both high accuracy and efficient uncertainty quantification, challenges that overburden both ensemble numerical weather predictio…

cs.AI2025

Active Inference AI Systems for Scientific Discovery

Karthik Duraisamy

The rapid evolution of artificial intelligence has led to expectations of transformative impact on science, yet current systems remain fundamentally limited in enabling genuine sci…

math.OC2024

Data-driven Koopman Operator-based Prediction and Control Using Model Averaging

Daisuke Uchida, Karthik Duraisamy

This work presents a data-driven Koopman operator-based modeling method using a model averaging technique. While the Koopman operator has been used for data-driven modeling and con…

math.OC2024

Model Predictive Control of Nonlinear Dynamics Using Online Adaptive Koopman Operators

Daisuke Uchida, Karthik Duraisamy

This paper develops a methodology for adaptive data-driven Model Predictive Control (MPC) using Koopman operators. While MPC is ubiquitous in various fields of engineering, the con…

stat.CO2024

Deterministic and Probabilistic Rounding Error Analysis for Mixed-Precision Arithmetic on Modern Computing Units

Sahil Bhola, Karthik Duraisamy

Modern computer architectures support low-precision arithmetic, which present opportunities for the adoption of mixed-precision algorithms to achieve high computational throughput…

cs.LG2024

Spatially-Aware Diffusion Models with Cross-Attention for Global Field Reconstruction with Sparse Observations

Yilin Zhuang, Sibo Cheng, Karthik Duraisamy

Diffusion models have gained attention for their ability to represent complex distributions and incorporate uncertainty, making them ideal for robust predictions in the presence of…

physics.flu-dyn2024

Stochastic Wavevector Model for Rapidly-Distorted Compressible Turbulence

Noah Zambrano, Karthik Duraisamy

A stochastic wavevector approach is formulated to accurately represent compressible turbulence subject to rapid deformations. This approach is inspired by the incompressible partic…

math.ST2024

Finite Sample Analysis and Bounds of Generalization Error of Gradient Descent in In-Context Linear Regression

Karthik Duraisamy

Recent studies show that transformer-based architectures emulate gradient descent during a forward pass, contributing to in-context learning capabilities - an ability where the mod…

physics.flu-dyn2024

A new dynamic slip approach for wall-modeled Large Eddy Simulations in a Consistent Discontinuous Galerkin Framework

Pratikkumar Raje, Karthik Duraisamy

A wall-modeled large eddy simulation approach is proposed in a Discontinuous Galerkin (DG) setting, building on the slip-wall concept of Bae et al. (JFM'19) and the universal scali…

cs.LG2024★ 13 cited

Variational Bayesian Optimal Experimental Design with Normalizing Flows

Jiayuan Dong, Christian Jacobsen, Mehdi Khalloufi +4

Bayesian optimal experimental design (OED) seeks experiments that maximize the expected information gain (EIG) in model parameters. Directly estimating the EIG using nested Monte C…

stat.CO2024

Bias- and Variance-Aware Probabilistic Rounding Error Analysis for Floating-Point Arithmetic

Sahil Bhola, Karthik Duraisamy

Probabilistic rounding error analysis can yield much sharper bounds than classical worst-case theory, but existing results typically rely on zero-mean rounding errors and often lea…

physics.comp-ph2024★ 3 cited

Enhancing Dynamical System Modeling through Interpretable Machine Learning Augmentations: A Case Study in Cathodic Electrophoretic Deposition

Christian Jacobsen, Jiayuan Dong, Mehdi Khalloufi +4

We introduce a comprehensive data-driven framework aimed at enhancing the modeling of physical systems, employing inference techniques and machine learning enhancements. As a demon…