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High-performance catalysts are crucial for sustainable energy conversion and human health. However, the discovery of catalysts faces challenges due to the absence of efficient approaches to navigating vast and high-dimensional structure and…

Machine Learning · Computer Science 2025-11-13 Jie Chen , Pengfei Ou , Yuxin Chang , Hengrui Zhang , Xiao-Yan Li , Edward H. Sargent , Wei Chen

Symbolic regression is a powerful tool for knowledge discovery, enabling the extraction of interpretable mathematical expressions directly from data. However, conventional symbolic discovery typically follows an end-to-end, "one-step"…

Machine Learning · Computer Science 2026-03-17 Mingkun Xia , Weiwei Zhang

Symbolic regression (SR) aims to find symbolic expressions that describe datasets. Due to its inherent interpretability, is a powerful paradigm for scientific discovery. Recent advances have expanded SR to describe related phenomena using a…

Machine Learning · Computer Science 2026-03-31 Viktor Martinek , Roland Herzog

Large scale dynamical systems (e.g. many nonlinear coupled differential equations) can often be summarized in terms of only a few state variables (a few equations), a trait that reduces complexity and facilitates exploration of behavioral…

We propose a novel classification framework grounded in symbolic dynamics and data compression using chaotic maps. The core idea is to model each class by generating symbolic sequences from thresholded real-valued training data, which are…

Machine Learning · Computer Science 2026-03-26 Parth Naik , Harikrishnan N B

We describe an approach for empirical modeling of steel phase kinetics based on symbolic regression and genetic programming. The algorithm takes processed data gathered from dilatometer measurements and produces a system of differential…

Machine Learning · Computer Science 2022-12-21 David Piringer , Bernhard Bloder , Gabriel Kronberger

Predicting the motion of dynamic agents is a critical task for guaranteeing the safety of autonomous systems. A particular challenge is that motion prediction algorithms should obey dynamics constraints and quantify prediction uncertainty…

Robotics · Computer Science 2023-09-28 Renukanandan Tumu , Lars Lindemann , Truong Nghiem , Rahul Mangharam

Mechanistic dynamic models allow for a quantitative and systematic interpretation of data and the generation of testable hypotheses. However, these models are often over-parameterized, leading to non-identifiability and non-observability,…

Systems and Control · Electrical Eng. & Systems 2020-12-21 Gemma Massonis , Julio R. Banga , Alejandro F. Villaverde

Symbolic equations are at the core of scientific discovery. The task of discovering the underlying equation from a set of input-output pairs is called symbolic regression. Traditionally, symbolic regression methods use hand-designed…

Machine Learning · Computer Science 2021-06-14 Luca Biggio , Tommaso Bendinelli , Alexander Neitz , Aurelien Lucchi , Giambattista Parascandolo

Finding interpretable biomechanical models can provide insight into the functionality of organs with regard to physiology and disease. However, identifying broadly applicable dynamical models for in vivo tissue remains challenging. In this…

Accelerating the discovery and manufacturing of advanced materials with specific properties is a critical yet formidable challenge due to vast search space, high costs of experiments, and time-intensive nature of material characterization.…

Machine Learning · Computer Science 2025-03-28 Ahmed Shoyeb Raihan , Zhichao Liu , Tanveer Hossain Bhuiyan , Imtiaz Ahmed

Interpretable mathematical expressions defining discrete-time dynamical systems (iterated maps) can model many phenomena of scientific interest, enabling a deeper understanding of system behaviors. Since formulating governing expressions…

Machine Learning · Computer Science 2024-06-12 Adarsh Iyer , Nibodh Boddupalli , Jeff Moehlis

Physics-informed machine learning (PIML) integrates partial differential equations (PDEs) into machine learning models to solve inverse problems, such as estimating coefficient functions (e.g., the Hamiltonian function) that characterize…

Computational Physics · Physics 2025-11-07 Yoh-ichi Mototake , Makoto Sasaki

Existing GUI agent models relying on coordinate-based one-step visual grounding struggle with generalizing to varying input resolutions and aspect ratios. Alternatives introduce coordinate-free strategies yet suffer from learning under…

Machine Learning · Computer Science 2026-02-04 Xiaoce Wang , Guibin Zhang , Junzhe Li , Jinzhe Tu , Chun Li , Ming Li

Symbolic regression is a type of discrete optimization problem that involves searching expressions that fit given data points. In many cases, other mathematical constraints about the unknown expression not only provide more information…

Machine Learning · Computer Science 2021-02-16 Li Li , Minjie Fan , Rishabh Singh , Patrick Riley

Discovering the underlying mathematical expressions describing a dataset is a core challenge for artificial intelligence. This is the problem of $\textit{symbolic regression}$. Despite recent advances in training neural networks to solve…

Machine Learning · Computer Science 2022-07-06 Brenden K. Petersen , Mikel Landajuela , T. Nathan Mundhenk , Claudio P. Santiago , Soo K. Kim , Joanne T. Kim

Atomic-scale modeling has advanced rapidly through integration of machine learning, yet a key bottleneck remains. Even with an accurate potential energy surface and a clear target material, we still lack a practical atomistic dynamics…

Materials Science · Physics 2026-05-18 Wonseok Jeong , Francesca Tavazza , Brian DeCost

Symbolic Regression (SR) holds great potential for uncovering underlying mathematical and physical relationships from observed data. However, the vast combinatorial space of possible expressions poses significant challenges for both online…

Machine Learning · Computer Science 2025-02-12 Yuan Tian , Wenqi Zhou , Michele Viscione , Hao Dong , David Kammer , Olga Fink

Symbolic Regression (SR) holds great potential for uncovering underlying mathematical and physical relationships from observed data. However, the vast combinatorial space of possible expressions poses significant challenges for both online…

Machine Learning · Computer Science 2025-02-14 Yuan Tian , Wenqi Zhou , Michele Viscione , Hao Dong , David Kammer , Olga Fink

A common issue when analyzing real-world complex systems is that the interactions between the elements often change over time: this makes it difficult to find optimal models that describe this evolution and that can be estimated from data,…

Statistical Finance · Quantitative Finance 2021-08-04 Carlo Campajola , Domenico Di Gangi , Fabrizio Lillo , Daniele Tantari
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