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Deep neural networks (DNN) have an impressive ability to invert very complex models, i.e. to learn the generative parameters from a model's output. Once trained, the forward pass of a DNN is often much faster than traditional,…

Machine Learning · Computer Science 2021-07-23 Gaetan Rensonnet , Louise Adam , Benoit Macq

We present an end-to-end framework for generating solutions to combinatorial optimization problems with unknown components using transformer-based sequence-to-sequence neural networks. Our framework learns directly from past solutions and…

Optimization and Control · Mathematics 2026-02-06 Macarena Navarro , Willem-Jan van Hoeve , Karan Singh

Generative models show great promise for the inverse design of molecules and inorganic crystals, but remain largely ineffective within more complex structures such as amorphous materials. Here, we present a diffusion model that reliably…

Disordered Systems and Neural Networks · Physics 2026-01-21 Kai Yang , Daniel Schwalbe-Koda

Identifying model parameters from observed configurations poses a fundamental challenge in data science, especially with limited data. Recently, diffusion models have emerged as a novel paradigm in generative machine learning, capable of…

Data Analysis, Statistics and Probability · Physics 2025-03-14 Yechan Lim , Sangwon Lee , Junghyo Jo

This study presents a methodology to treat performance-based seismic design as an inverse engineering problem, where design parameters are directly derived to achieve specific performance objectives. By implementing explainable machine…

Machine Learning · Computer Science 2025-08-04 Mohsen Zaker Esteghamati

Inverse problems in statistical physics are motivated by the challenges of `big data' in different fields, in particular high-throughput experiments in biology. In inverse problems, the usual procedure of statistical physics needs to be…

Disordered Systems and Neural Networks · Physics 2017-11-07 H. Chau Nguyen , Riccardo Zecchina , Johannes Berg

In a broad and fundamental type of ''inverse problems'' in science, one infers a spatially distributed physical attribute based on observations of processes that are controlled by the spatial attribute in question. The data-generating field…

Methodology · Statistics 2014-09-09 Zepu Zhang

Recent advances in meta-optics have enabled diverse functionalities in compact optical devices; however, conventional forward design approaches become inadequate as device complexity and scale grow. Inverse design offers a powerful…

Inverse design represents a paradigm shift in the development of nanophotonic devices, where optimal geometries and materials are discovered by an algorithm rather than symmetry considerations or intuition. Here we present a very general…

Quantum Physics · Physics 2020-04-29 Robert Bennett , Stefan Yoshi Buhmann

Inverse design aims to design the input variables of a physical system to optimize a specified objective function, typically formulated as a search or optimization problem. However, in 3D domains, the design space grows exponentially,…

Computer Vision and Pattern Recognition · Computer Science 2025-12-11 Yuze Hao , Linchao Zhu , Yi Yang

Geophysical inversion attempts to estimate the distribution of physical properties in the Earth's interior from observations collected at or above the surface. Inverse problems are commonly posed as least-squares optimization problems in…

Geophysics · Physics 2019-05-22 Vladimir Puzyrev

Inverse analysis has been utilized to understand unknown underground geological properties by matching the observational data with simulators. To overcome the underconstrained nature of inverse problems and achieve good performance, an…

Computational Physics · Physics 2022-08-10 Hao Wu , Sarah Greer , Daniel O'Malley

Reservoir computing has been shown to be a useful framework for predicting critical transitions of a dynamical system if the bifurcation parameter is also provided as an input. Its utility is significant because in real-world scenarios, the…

Adaptation and Self-Organizing Systems · Physics 2024-07-23 Dishant Sisodia , Sarika Jalan

Machine learning techniques, notably various deep neural network methods, are instrumental in processing extensive and intricate data sets in engineering and scientific fields. This paper shows how deep neural networks can inversely design…

Optics · Physics 2026-05-05 Ali Mohajer Hejazi , Vincent Ginis

Generative models have emerged as powerful priors for solving inverse problems. These models typically represent a class of natural signals using a single fixed complexity or dimensionality. This can be limiting: depending on the problem, a…

Machine Learning · Computer Science 2026-03-11 Sean Gunn , Jorio Cocola , Oliver De Candido , Vaggos Chatziafratis , Paul Hand

Recently, machine learning has been introduced in the inverse design of physical devices, i.e., the automatic generation of device geometries for a desired physical response. In particular, generative adversarial networks have been proposed…

Optics · Physics 2025-02-18 Timo Gahlmann , Philippe Tassin

Computing atomic-scale properties of chemically disordered materials requires an efficient exploration of their vast configuration space. Traditional approaches such as Monte Carlo or Special Quasirandom Structures either entail sampling an…

Materials Science · Physics 2026-03-17 Maciej J. Karcz , Luca Messina , Eiji Kawasaki , Emeric Bourasseau

The inference of deep hierarchical models is problematic due to strong dependencies between the hierarchies. We investigate a specific transformation of the model parameters based on the multivariate distributional transform. This…

Machine Learning · Statistics 2018-12-12 Jakob Knollmüller , Torsten A. Enßlin

Direct design of a robot's rendered dynamics, such as in impedance control, is now a well-established control mode in uncertain environments. When the physical interaction port variables are not measured directly, dynamic and kinematic…

Robotics · Computer Science 2024-12-20 Kevin Haninger , Masayoshi Tomizuka

We propose a structured prior for high-dimensional Bayesian inverse problems based on a disentangled deep generative model whose latent space is partitioned into auxiliary variables aligned with known and interpretable physical parameters…

Computation · Statistics 2026-04-03 Arkaprabha Ganguli , Emil Constantinescu