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Symbolic regression, the task of predicting the mathematical expression of a function from the observation of its values, is a difficult task which usually involves a two-step procedure: predicting the "skeleton" of the expression up to the…

Machine Learning · Computer Science 2022-04-25 Pierre-Alexandre Kamienny , Stéphane d'Ascoli , Guillaume Lample , François Charton

Choosing models from a well-fitted evolved population that generalizes beyond training data is difficult. We introduce a pragmatic method to estimate model complexity using Hessian rank for post-processing selection. Complexity is…

Machine Learning · Computer Science 2025-01-30 Nathan Haut , Zenas Huang , Adam Alessio

A new model for generating survival trajectories and data based on applying an autoencoder of a specific structure is proposed. It solves three tasks. First, it provides predictions in the form of the expected event time and the survival…

Machine Learning · Computer Science 2024-02-20 Andrei V. Konstantinov , Stanislav R. Kirpichenko , Lev V. Utkin

Regression models are used in a wide range of applications providing a powerful scientific tool for researchers from different fields. Linear, or simple parametric, models are often not sufficient to describe complex relationships between…

Machine Learning · Statistics 2021-11-24 Aliaksandr Hubin , Geir Storvik , Florian Frommlet

Feature selection aims to identify the optimal feature subset for enhancing downstream models. Effective feature selection can remove redundant features, save computational resources, accelerate the model learning process, and improve the…

Machine Learning · Computer Science 2024-12-19 Nanxu Gong , Wangyang Ying , Dongjie Wang , Yanjie Fu

In computational materials science, predicting the yield strain of crosslinked polymers remains a challenging task. A common approach is to identify yield as the first critical point of stress-strain curves simulated by molecular dynamics…

Materials Science · Physics 2016-09-20 Paul N. Patrone , Samuel Tucker , Andrew Dienstfrey

This study concerns the formulation and application of Bayesian optimal experimental design to symbolic discovery, which is the inference from observational data of predictive models taking general functional forms. We apply constrained…

Machine Learning · Computer Science 2022-11-30 Kenneth L. Clarkson , Cristina Cornelio , Sanjeeb Dash , Joao Goncalves , Lior Horesh , Nimrod Megiddo

Neural-symbolic approaches to machine learning incorporate the advantages from both connectionist and symbolic methods. Typically, these models employ a first module based on a neural architecture to extract features from complex data.…

Artificial Intelligence · Computer Science 2023-07-19 Jaime de Miguel-Rodriguez , Fernando Sancho-Caparrini

The study is devoted to geometrically non-linear modelling of viscoplastic structures with residual stresses. We advocate and develop a special approach to residual stresses based on the transition between reference configurations. The…

Materials Science · Physics 2021-04-06 I. I. Tagiltsev , A. V. Shutov

Interpretable regression models are important for many application domains, as they allow experts to understand relations between variables from sparse data. Symbolic regression addresses this issue by searching the space of all possible…

Artificial Intelligence · Computer Science 2022-06-14 Marcus Märtens , Dario Izzo

When quantitative models are used to support decision-making on complex and important topics, understanding a model's ``reasoning'' can increase trust in its predictions, expose hidden biases, or reduce vulnerability to adversarial attacks.…

Machine Learning · Computer Science 2019-07-09 Dimitris Bertsimas , Arthur Delarue , Patrick Jaillet , Sebastien Martin

We introduce ECSEL, an explainable classification method that learns formal expressions in the form of signomial equations, motivated by the observation that many symbolic regression benchmarks admit compact signomial structure. ECSEL…

Machine Learning · Computer Science 2026-05-27 Adia Lumadjeng , Ilker Birbil , Erman Acar

A data-driven computational method is introduced to extract chemical reaction mechanisms from time series chemical concentration data. It is realized through the use of dynamic symbolic regression in which a sparse analytical form for a…

Chemical Physics · Physics 2026-02-13 Manuel Palma Banos , Joel D. Kress , Rigoberto Hernandez , Galen T. Craven

Constitutive models are fundamental to solid mechanics and materials science, underpinning the quantitative description and prediction of material responses under diverse loading conditions. Traditional phenomenological models, which are…

Materials Science · Physics 2025-11-14 Hao Xu , Yuntian Chen , Dongxiao Zhang

Cardiac digital twins hold great promise for personalized medicine, but they currently depend on complex constitutive models of tissue mechanics that are often over-parameterized for the clinical context. To address this, we introduce…

Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…

Computational Physics · Physics 2021-01-07 Rhys E. A. Goodall , Alpha A. Lee

For most process systems, knowledge of the model structure is incomplete. This missing physics must then be learned from experimental data. Recently, a combination of universal differential equations and symbolic regression has become a…

Machine Learning · Statistics 2026-04-15 Arno Strouwen , Sebastián Micluţa-Câmpeanu

Symbolic regression is a powerful technique that can discover analytical equations that describe data, which can lead to explainable models and generalizability outside of the training data set. In contrast, neural networks have achieved…

Machine Learning · Computer Science 2022-03-10 Samuel Kim , Peter Y. Lu , Srijon Mukherjee , Michael Gilbert , Li Jing , Vladimir Čeperić , Marin Soljačić

Symbolic Regression (SR) is a powerful technique for discovering interpretable mathematical expressions. However, benchmarking SR methods remains challenging due to the diversity of algorithms, datasets, and evaluation criteria. In this…

This work presents a dual-agent \ac{llm}-based reasoning framework for automated planar mechanism synthesis that tightly couples linguistic specification with symbolic representation and simulation. From a natural-language task description,…

Artificial Intelligence · Computer Science 2025-10-09 João Pedro Gandarela , Thiago Rios , Stefan Menzel , André Freitas
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