activity
20082026
most citedPhysics-Constrained Deep Learning for High-dimensional Surrogate Modeling and Uncertainty Quantification without Labeled Data

1.1k citations · 1.4k across the 43 of their papers we have counts for

collaborators

44 papers

cs.CE2026

Embedding Model-form Uncertainty in Probabilistic Calibration of Digital Twins for Bridges

Daniel Andrés Arcones, Martin Weiser, Phaedon-Stelios Koutsourelakis +1

Digital twins of bridges rely on physics-based models to infer full-field structural responses from sparse monitoring data. The reliability of these predictions depends on the cali…

cs.CE2026

Scalable High-Dimensional Bayesian Field Reconstruction with Finite Elements: Application to 3D Porous Media Flow

Jonas Nitzler, Maximilian Bergbauer, Phaedon-Stelios Koutsourelakis +1

We present a unified, finite-element-native variational inference framework for very high-dimensional Bayesian spatial field reconstruction in physics-based problems governed by pa…

stat.ML2026

GenPANIS: A Latent-Variable Generative Framework for Forward and Inverse PDE Problems in Multiphase Media

Matthaios Chatzopoulos, Phaedon-Stelios Koutsourelakis

Inverse problems and inverse design in multiphase media, i.e., recovering or engineering microstructures to achieve target macroscopic responses, require operating on discrete-valu…

math-ph2025

Design-GenNO: A Physics-Informed Generative Model with Neural Operators for Inverse Microstructure Design

Yaohua Zang, Phaedon-Stelios Koutsourelakis

Inverse microstructure design plays a central role in materials discovery, yet remains challenging due to the complexity of structure-property linkages and the scarcity of labeled…

cs.CE2025

Efficient Bayesian multi-fidelity inverse analysis for expensive and non-differentiable physics-based simulations in high stochastic dimensions

Jonas Nitzler, Bugrahan Z. Temür, Phaedon-Stelios Koutsourelakis +1

High-dimensional Bayesian inverse analysis (dim >> 100) is mostly unfeasible for computationally demanding, nonlinear physics-based high-fidelity (HF) models. Usually, the use of m…

physics.chem-ph2025★ 3 cited

Energy-Based Coarse-Graining in Molecular Dynamics: A Flow-Based Framework without Data

Maximilian Stupp, P. S. Koutsourelakis

Coarse-grained (CG) models provide an effective route to reducing the complexity of molecular simulations (MD), but conventional approaches depend heavily on long all-atom MD traje…

stat.ML2025

The Illusion of Fit: Spatially Resolved Assessment of Constitutive Model Validity in Elastography and Physics-Based Inverse Problems

Vincent C. Scholz, P. S. Koutsourelakis

Inferring the mechanical properties of soft tissues from measured deformations is a fundamental challenge in elastography. A rarely examined assumption underlying existing approach…

cs.LG2025

DGenNO: A Novel Physics-aware Neural Operator for Solving Forward and Inverse PDE Problems based on Deep, Generative Probabilistic Modeling

Yaohua Zang, Phaedon-Stelios Koutsourelakis

Solving parametric partial differential equations (PDEs) and associated PDE-based, inverse problems is a central task in engineering and physics, yet existing neural operator metho…

cs.CE2024

Embedded Model Form Uncertainty Quantification with Measurement Noise for Bayesian Model Calibration

Daniel Andrés Arcones, Martin Weiser, Phaedon-Stelios Koutsourelakis +1

A key factor in ensuring the accuracy of computer simulations that model physical systems is the proper calibration of their parameters based on real-world observations or experime…

cond-mat.mtrl-sci2024★ 1 cited

PSP-GEN: Stochastic inversion of the Process-Structure-Property chain in materials design through deep, generative probabilistic modeling

Yaohua Zang, Phaedon-Stelios Koutsourelakis

Inverse material design is a cornerstone challenge in materials science, with significant applications across many industries. Traditional approaches that invert the structure-prop…

stat.ML2024

Weak neural variational inference for solving Bayesian inverse problems without forward models: applications in elastography

Vincent C. Scholz, Yaohua Zang, Phaedon-Stelios Koutsourelakis

In this paper, we introduce a novel, data-driven approach for solving high-dimensional Bayesian inverse problems based on partial differential equations (PDEs), called Weak Neural…

stat.ML2024★ 11 cited

Physics-Aware Neural Implicit Solvers for multiscale, parametric PDEs with applications in heterogeneous media

Matthaios Chatzopoulos, Phaedon-Stelios Koutsourelakis

We propose Physics-Aware Neural Implicit Solvers (PANIS), a novel, data-driven framework for learning surrogates for parametrized Partial Differential Equations (PDEs). It consists…

math.OC2023

From concrete mixture to structural design -- a holistic optimization procedure in the presence of uncertainties

Atul Agrawal, Erik Tamsen, Phaedon-Stelios Koutsourelakis +1

Designing civil structures such as bridges, dams or buildings is a complex task requiring many synergies from several experts. Each is responsible for different parts of the proces…

cs.CE2023★ 3 cited

Model bias identification for Bayesian calibration of stochastic digital twins of bridges

Daniel Andrés Arcones, Martin Weiser, Phaedon-Stelios Koutsourelakis +1

Simulation-based digital twins must provide accurate, robust and reliable digital representations of their physical counterparts. Quantifying the uncertainty in their predictions p…

math.OC2023★ 1 cited

Multi-fidelity Constrained Optimization for Stochastic Black Box Simulators

Atul Agrawal, Kislaya Ravi, Phaedon-Stelios Koutsourelakis +1

Constrained optimization of the parameters of a simulator plays a crucial role in a design process. These problems become challenging when the simulator is stochastic, computationa…

physics.flu-dyn2023★ 1 cited

Physics-Informed Tensor Basis Neural Network for Turbulence Closure Modeling

Leon Riccius, Atul Agrawal, Phaedon-Stelios Koutsourelakis

Despite the increasing availability of high-performance computational resources, Reynolds-Averaged Navier-Stokes (RANS) simulations remain the workhorse for the analysis of turbule…

physics.flu-dyn2023

A probabilistic, data-driven closure model for RANS simulations with aleatoric, model uncertainty

Atul Agrawal, Phaedon-Stelios Koutsourelakis

We propose a data-driven, closure model for Reynolds-averaged Navier-Stokes (RANS) simulations that incorporates aleatoric, model uncertainty. The proposed closure consists of two…

stat.ML2023★ 1 cited

Interpretable reduced-order modeling with time-scale separation

Sebastian Kaltenbach, Phaedon-Stelios Koutsourelakis, Petros Koumoutsakos

Partial Differential Equations (PDEs) with high dimensionality are commonly encountered in computational physics and engineering. However, finding solutions for these PDEs can be c…

stat.ML2022★ 4 cited

Semi-supervised Invertible Neural Operators for Bayesian Inverse Problems

Sebastian Kaltenbach, Paris Perdikaris, Phaedon-Stelios Koutsourelakis

Neural Operators offer a powerful, data-driven tool for solving parametric PDEs as they can represent maps between infinite-dimensional function spaces. In this work, we employ phy…

stat.ML2021★ 2 cited

Physics-enhanced Neural Networks in the Small Data Regime

Jonas Eichelsdörfer, Sebastian Kaltenbach, Phaedon-Stelios Koutsourelakis

Identifying the dynamics of physical systems requires a machine learning model that can assimilate observational data, but also incorporate the laws of physics. Neural Networks bas…

stat.ML2021

Self-supervised optimization of random material microstructures in the small-data regime

Maximilian Rixner, Phaedon-Stelios Koutsourelakis

While the forward and backward modeling of the process-structure-property chain has received a lot of attention from the materials community, fewer efforts have taken into consider…

physics.comp-ph2021

Physics-aware, deep probabilistic modeling of multiscale dynamics in the Small Data regime

Sebastian Kaltenbach, Phaedon-Stelios Koutsourelakis

The data-based discovery of effective, coarse-grained (CG) models of high-dimensional dynamical systems presents a unique challenge in computational physics and particularly in the…

stat.ML2021★ 2 cited

Physics-aware, probabilistic model order reduction with guaranteed stability

Sebastian Kaltenbach, Phaedon-Stelios Koutsourelakis

Given (small amounts of) time-series' data from a high-dimensional, fine-grained, multiscale dynamical system, we propose a generative framework for learning an effective, lower-di…

stat.ML2020★ 27 cited

A probabilistic generative model for semi-supervised training of coarse-grained surrogates and enforcing physical constraints through virtual observables

Maximilian Rixner, Phaedon-Stelios Koutsourelakis

The data-centric construction of inexpensive surrogates for fine-grained, physical models has been at the forefront of computational physics due to its significant utility in many-…