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Particle-based modeling of materials at atomic scale plays an important role in the development of new materials and understanding of their properties. The accuracy of particle simulations is determined by interatomic potentials, which…

Holographic Reduced Representations (HRR) are a method for performing symbolic AI on top of real-valued vectors by associating each vector with an abstract concept, and providing mathematical operations to manipulate vectors as if they were…

Artificial Intelligence · Computer Science 2021-12-30 Ashwinkumar Ganesan , Hang Gao , Sunil Gandhi , Edward Raff , Tim Oates , James Holt , Mark McLean

Regression in supervised learning often requires the enforcement of constraints to ensure that the trained models are consistent with the underlying structures of the input and output data. This paper presents an iterative procedure to…

Optimization and Control · Mathematics 2022-01-19 Tejaswi K. C. , Taeyoung Lee

Small additive ensembles of symbolic rules offer interpretable prediction models. Traditionally, these ensembles use rule conditions based on conjunctions of simple threshold propositions $x \geq t$ on a single input variable $x$ and…

Machine Learning · Computer Science 2025-06-27 Shahrzad Behzadimanesh , Pierre Le Bodic , Geoffrey I. Webb , Mario Boley

Symbolic regression (SR) is the process of discovering hidden relationships from data with mathematical expressions, which is considered an effective way to reach interpretable machine learning (ML). Genetic programming (GP) has been the…

Neural and Evolutionary Computing · Computer Science 2023-04-19 Peng Zeng , Xiaotian Song , Andrew Lensen , Yuwei Ou , Yanan Sun , Mengjie Zhang , Jiancheng Lv

A Constraint Satisfaction Problem (CSP) is a framework used for modeling and solving constrained problems. Tree-search algorithms like backtracking try to construct a solution to a CSP by selecting the variables of the problem one after…

Artificial Intelligence · Computer Science 2014-10-06 Muhammad Rezaul Karim

Safety is critical when applying reinforcement learning (RL) to real-world problems. As a result, safe RL has emerged as a fundamental and powerful paradigm for optimizing an agent's policy while incorporating notions of safety. A prevalent…

Machine Learning · Computer Science 2024-05-09 Akifumi Wachi , Xun Shen , Yanan Sui

Survival Regression (SuR) is a key technique for modeling time to event in important applications such as clinical trials and semiconductor manufacturing. Currently, SuR algorithms belong to one of three classes: non-linear black-box --…

Machine Learning · Computer Science 2025-04-09 Luigi Rovito , Marco Virgolin

We apply a new method for learning equations from data -- Exhaustive Symbolic Regression (ESR) -- to late-type galaxy dynamics as encapsulated in the radial acceleration relation (RAR). Relating the centripetal acceleration due to baryons,…

Astrophysics of Galaxies · Physics 2024-02-27 Harry Desmond , Deaglan J. Bartlett , Pedro G. Ferreira

Automated scientific discovery aims to improve scientific understanding through machine learning. A central approach in this field is symbolic regression, which uses genetic programming or sparse regression to learn interpretable…

Neural and Evolutionary Computing · Computer Science 2026-03-11 Sigur de Vries , Sander W. Keemink , Marcel A. J. van Gerven

Symbolic regression has recently gained traction in AI-driven scientific discovery, aiming to recover explicit closed-form expressions from data that reveal underlying physical laws. Despite recent advances, existing methods remain…

Methodology · Statistics 2026-03-02 Somjit Roy , Pritam Dey , Bani K. Mallick

In reinforcement learning (RL), agents often operate in partially observed and uncertain environments. Model-based RL suggests that this is best achieved by learning and exploiting a probabilistic model of the world. 'Active inference' is…

Machine Learning · Computer Science 2019-11-26 Alexander Tschantz , Manuel Baltieri , Anil. K. Seth , Christopher L. Buckley

We consider the problem of online active learning to collect data for regression modeling. Specifically, we consider a decision maker with a limited experimentation budget who must efficiently learn an underlying linear population model.…

Machine Learning · Statistics 2016-12-22 Carlos Riquelme , Ramesh Johari , Baosen Zhang

Model-based reinforcement learning (RL) has proven to be a data efficient approach for learning control tasks but is difficult to utilize in domains with complex observations such as images. In this paper, we present a method for learning…

Machine Learning · Computer Science 2019-06-25 Marvin Zhang , Sharad Vikram , Laura Smith , Pieter Abbeel , Matthew J. Johnson , Sergey Levine

Regression is a fundamental prediction task common in data-centric engineering applications that involves learning mappings between continuous variables. In many engineering applications (e.g.\ structural health monitoring), feature-label…

This paper presents QDSR, an advanced symbolic Regression (SR) system that integrates genetic programming (GP), a quality-diversity (QD) algorithm, and a dimensional analysis (DA) engine. Our method focuses on exact symbolic recovery of…

Neural and Evolutionary Computing · Computer Science 2025-03-26 J. -P. Bruneton

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

Representation learning is a central challenge across a range of machine learning areas. In reinforcement learning, effective and functional representations have the potential to tremendously accelerate learning progress and solve more…

Machine Learning · Computer Science 2019-01-30 Dibya Ghosh , Abhishek Gupta , Sergey Levine

The typical methods for symbolic regression produce rather abrupt changes in solution candidates. In this work, we have tried to transform symbolic regression from an optimization problem, with a landscape that is so rugged that typical…

Machine Learning · Computer Science 2021-08-10 Erik Pitzer , Gabriel Kronberger

The deep-learning-based least squares method has shown successful results in solving high-dimensional non-linear partial differential equations (PDEs). However, this method usually converges slowly. To speed up the convergence of this…

Numerical Analysis · Mathematics 2025-07-10 Wenhan Gao , Chunmei Wang