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Progress in probabilistic generative models has accelerated, developing richer models with neural architectures, implicit densities, and with scalable algorithms for their Bayesian inference. However, there has been limited progress in…

Machine Learning · Statistics 2017-10-31 Dustin Tran , David M. Blei

Understanding and modeling the constitutive behavior of concrete is crucial for civil and defense applications, yet widely used phenomenological models such as Karagozian \& Case concrete (KCC) model depend on empirically calibrated failure…

Machine Learning · Computer Science 2026-01-08 Chenyang Li , Himanshu Sharma , Youcai Wu , Joseph Magallanes , K. T. Ramesh , Michael D. Shields

Causal representation learning promises to extend causal models to hidden causal variables from raw entangled measurements. However, most progress has focused on proving identifiability results in different settings, and we are not aware of…

Machine Learning · Computer Science 2025-02-04 Dingling Yao , Caroline Muller , Francesco Locatello

Classical physical modelling with associated numerical simulation (model-based), and prognostic methods based on the analysis of large amounts of data (data-driven) are the two most common methods used for the mapping of complex physical…

Computational Engineering, Finance, and Science · Computer Science 2023-07-11 Derick Nganyu Tanyu , Isabel Michel , Andreas Rademacher , Jörg Kuhnert , Peter Maass

Simulation models of critical systems often have parameters that need to be calibrated using observed data. For expensive simulation models, calibration is done using an emulator of the simulation model built on simulation output at…

Methodology · Statistics 2023-08-24 Özge Sürer , Matthew Plumlee , Stefan M. Wild

Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied…

Machine Learning · Computer Science 2025-03-14 Jan-Hendrik Bastek , WaiChing Sun , Dennis M. Kochmann

We investigate the addition of constraints on the function image and its derivatives for the incorporation of prior knowledge in symbolic regression. The approach is called shape-constrained symbolic regression and allows us to enforce e.g.…

Neural and Evolutionary Computing · Computer Science 2021-06-01 Gabriel Kronberger , Fabricio Olivetti de França , Bogdan Burlacu , Christian Haider , Michael Kommenda

We present a physics informed deep neural network (DNN) method for estimating parameters and unknown physics (constitutive relationships) in partial differential equation (PDE) models. We use PDEs in addition to measurements to train DNNs…

We present a multi-fidelity method for uncertainty quantification of parameter estimates in complex systems, leveraging generative models trained to sample the target conditional distribution. In the Bayesian inference setting, traditional…

Machine Learning · Computer Science 2025-04-03 Caroline Tatsuoka , Minglei Yang , Dongbin Xiu , Guannan Zhang

Long length-scale structural deformations of DNA play a central role in many biological processes including gene expression. The elastic rod model, which uses a continuum approximation, has emerged as a viable tool to model deformations of…

Computational Physics · Physics 2010-02-08 Harish J. Palanthandalam-Madapusi , Sachin Goyal

Complex networks theory has commonly been used for modelling and understanding the interactions taking place between the elements composing complex systems. More recently, the use of generative models has gained momentum, as they allow…

Physics and Society · Physics 2016-05-19 Massimiliano Zanin , Marco Correia , Pedro A. C. Sousa , Jorge Cruz

We propose a new modeling approach that is a generalization of generative and discriminative models. The core idea is to use an implicit parameterization of a joint probability distribution by specifying only the conditional distributions.…

Machine Learning · Computer Science 2016-12-06 Dmitrij Schlesinger , Carsten Rother

In this study, we develop a conditional diffusion model that proposes the optimal process parameters and predicts the microstructure for the desired mechanical properties. In materials development, it is costly to try many samples with…

Computational Engineering, Finance, and Science · Computer Science 2025-10-27 Arisa Ikeda , Ryo Higuchi , Tomohiro Yokozeki , Katsuhiro Endo , Yuta Kojima , Misato Suzuki , Mayu Muramatsu

Declarative modeling uses symbolic expressions to represent models. With such expressions one can formalize high-level mathematical computations on models that would be difficult or impossible to perform directly on a lower-level simulation…

Quantitative Methods · Quantitative Biology 2019-07-02 Eric Mjolsness

Despite tremendous progress, machine learning and deep learning still suffer from incomprehensible predictions. Incomprehensibility, however, is not an option for the use of (deep) reinforcement learning in the real world, as unpredictable…

Artificial Intelligence · Computer Science 2024-07-23 Manuel Eberhardinger , Florian Rupp , Johannes Maucher , Setareh Maghsudi

Constitutive modeling based on continuum mechanics theory has been a classical approach for modeling the mechanical responses of materials. However, when constitutive laws are unknown or when defects and/or high degrees of heterogeneity are…

Machine Learning · Computer Science 2022-07-27 Huaiqian You , Quinn Zhang , Colton J. Ross , Chung-Hao Lee , Yue Yu

The two-phase composite approach of Estrin et al. (1998) describes an evolving dislocation cell structure. Mckenzie et al. (2007) enhanced the model to capture the effects of hydrostatic pressure and temperature during severe plastic…

Materials Science · Physics 2013-03-08 C. B. Silbermann , A. V. Shutov , J. Ihlemann

The ever-increasing parameter counts of deep learning models necessitate effective compression techniques for deployment on resource-constrained devices. This paper explores the application of information geometry, the study of…

Machine Learning · Computer Science 2025-07-15 Zakhar Shumaylov , Vasileios Tsiaras , Yannis Stylianou

A complete approach for the determination of the complex constitutive behaviour of textile composites through finite element simulation is presented in this paper. In this work, simulations of different loading cases are carried out on…

Soft Condensed Matter · Physics 2008-12-18 Damien Durville

This paper explores the challenges and benefits of a trainable destruction process in diffusion samplers -- diffusion-based generative models trained to sample an unnormalised density without access to data samples. Contrary to the majority…