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Interpretable AI can reveal physical principles governing intricate materials properties by uncovering explicit relationships between physical parameters and target properties. The sure-independence screening and sparsifying operator…

Materials Science · Physics 2026-04-10 Lucas Foppa , Matthias Scheffler

Accurate and explainable artificial-intelligence (AI) models are promising tools for the acceleration of the discovery of new materials, ore new applications for existing materials. Recently, symbolic regression has become an increasingly…

Data Analysis, Statistics and Probability · Physics 2023-05-03 Thomas A. R. Purcell , Matthias Scheffler , Luca M. Ghiringhelli

The lack of reliable methods for identifying descriptors - the sets of parameters capturing the underlying mechanisms of a materials property - is one of the key factors hindering efficient materials development. Here, we propose a…

Materials Science · Physics 2018-08-15 Runhai Ouyang , Stefano Curtarolo , Emre Ahmetcik , Matthias Scheffler , Luca M. Ghiringhelli

This study explores the use of symbolic regression (SR) combined with genetic algorithms (GA) to classify astronomical objects. Using the SDSS17 dataset from Kaggle, which includes 100,000 observations of stars, galaxies, and quasars, we…

Astrophysics of Galaxies · Physics 2025-03-14 Fabio R. Llorella , José A. Cebrián

Hardness is a materials' property with implications in several industrial fields, including oil and gas, manufacturing, and others. However, the relationship between this macroscale property and atomic (i.e., microscale) properties is…

Symbolic Regression (SR) can generate interpretable, concise expressions that fit a given dataset, allowing for more human understanding of the structure than black-box approaches. The addition of background knowledge (in the form of…

Machine Learning · Computer Science 2023-05-05 Charles Fox , Neil Tran , Nikki Nacion , Samiha Sharlin , Tyler R. Josephson

Symbolic regression (SR) is a powerful machine learning approach that searches for both the structure and parameters of algebraic models, offering interpretable and compact representations of complex data. Unlike traditional regression…

Machine Learning · Computer Science 2024-12-11 Madhav Muthyala , Farshud Sorourifar , Joel A. Paulson

Coverage of image features play an important role in many vision algorithms since their distribution affect the estimated homography. This paper presents a Genetic Algorithm (GA) in order to select the optimal set of features yielding…

Computer Vision and Pattern Recognition · Computer Science 2017-04-21 Erkan Bostanci

Analyzing large datasets to select optimal features is one of the most important research areas in machine learning and data mining. This feature selection procedure involves dimensionality reduction which is crucial in enhancing the…

Neural and Evolutionary Computing · Computer Science 2024-09-24 Zhila Yaseen Taha , Abdulhady Abas Abdullah , Tarik A. Rashid

Symbolic Regression (SR) enables the discovery of interpretable mathematical relationships from experimental and simulation data. These relationships are often coined descriptors which are defined as a fundamental materials property that is…

Computational Physics · Physics 2026-02-10 Udaykumar Gajera , Mohsen Sotoudeh , Kanchan Sarkar , Axel Groß

Symbolic regression (SR) aims to discover mathematical expressions from data, a task traditionally tackled using Genetic Programming (GP) through combinatorial search over symbolic structures. Latent Space Optimization (LSO) methods use…

Neural and Evolutionary Computing · Computer Science 2026-04-14 Benjamin Léger , Kazem Meidani , Christian Gagné

This study is focused on applying genetic algorithms (GA) to model and band selection in hyperspectral image classification. We use a forensic-inspired data set of seven hyperspectral images with blood and five visually similar substances…

Computer Vision and Pattern Recognition · Computer Science 2020-11-05 Filip Pałka , Wojciech Książek , Paweł Pławiak , Michał Romaszewski , Kamil Książek

Compact symbolic expressions have been shown to be more efficient than neural network models in terms of resource consumption and inference speed when implemented on custom hardware such as FPGAs, while maintaining comparable…

Machine Learning · Computer Science 2025-02-11 Ho Fung Tsoi , Vladimir Loncar , Sridhara Dasu , Philip Harris

Evolutionary computing, particularly genetic algorithm (GA), is a combinatorial optimization method inspired by natural selection and the transmission of genetic information, which is widely used to identify optimal solutions to complex…

Neural and Evolutionary Computing · Computer Science 2024-12-31 Shanqing Yu , Meng Zhou , Jintao Zhou , Minghao Zhao , Yidan Song , Yao Lu , Zeyu Wang , Qi Xuan

Symbolic regression is the process of identifying mathematical expressions that fit observed output from a black-box process. It is a discrete optimization problem generally believed to be NP-hard. Prior approaches to solving the problem…

Neural and Evolutionary Computing · Computer Science 2021-11-19 T. Nathan Mundhenk , Mikel Landajuela , Ruben Glatt , Claudio P. Santiago , Daniel M. Faissol , Brenden K. Petersen

Feature selection, as a critical pre-processing step for machine learning, aims at determining representative predictors from a high-dimensional feature space dataset to improve the prediction accuracy. However, the increase in feature…

Machine Learning · Statistics 2020-11-16 Fatemeh Amini , Guiping Hu

We show that the signal-processing paradigm known as compressed sensing (CS) is applicable to genome-wide association studies (GWAS) and genomic selection (GS). The aim of GWAS is to isolate trait-associated loci, whereas GS attempts to…

Genomics · Quantitative Biology 2014-05-13 Shashaank Vattikuti , James J. Lee , Christopher C. Chang , Stephen D. H. Hsu , Carson C. Chow

Feature selection for predictive analytics is the problem of identifying a minimal-size subset of features that is maximally predictive of an outcome of interest. To apply to molecular data, feature selection algorithms need to be scalable…

Machine Learning · Statistics 2020-04-02 Michail Tsagris , Zacharias Papadovasilakis , Kleanthi Lakiotaki , Ioannis Tsamardinos

Symbolic Regression is the study of algorithms that automate the search for analytic expressions that fit data. While recent advances in deep learning have generated renewed interest in such approaches, the development of symbolic…

Instrumentation and Methods for Astrophysics · Physics 2023-12-27 Wassim Tenachi , Rodrigo Ibata , Foivos I. Diakogiannis

Many real-world optimization problems are not naturally homogeneous vectors but composite design objects with heterogeneous parameters: integers, real values, Booleans, categoricals, complex-valued descriptors, and embedding vectors.…

Neural and Evolutionary Computing · Computer Science 2026-05-14 Alex Bogdan
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