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Materials discovery requires navigating vast chemical and structural spaces while satisfying multiple, often conflicting, objectives. We present LLM-guided Evolution for MAterials discovery (LLEMA), a unified framework that couples the…

Machine Learning · Computer Science 2026-03-06 Nikhil Abhyankar , Sanchit Kabra , Saaketh Desai , Chandan K. Reddy

Predicting protein secondary structure is essential for understanding protein function and advancing drug discovery. However, the intricate sequence-structure relationship poses significant challenges for accurate modeling. To address…

Machine Learning · Computer Science 2026-03-16 Yining Qian , Lijie Su , Meiling Xu , Xianpeng Wang

We propose a system identification method, Non-Markovian Optimization-based Modeling for Approximate Dynamics with Spatially-homogeneous memory (NOMADS), for identifying linear dynamical systems from a set of multi-dimensional time-series…

Optimization and Control · Mathematics 2026-01-27 Ryoji Anzaki , Kazuhiro Sato

Indicator-based (multiobjective) diversity optimization aims at finding a set of near (Pareto-)optimal solutions that maximizes a diversity indicator, where diversity is typically interpreted as the number of essentially different…

Neural and Evolutionary Computing · Computer Science 2024-10-28 Ksenia Pereverdieva , André Deutz , Tessa Ezendam , Thomas Bäck , Hèrm Hofmeyer , Michael T. M. Emmerich

Technical indicators use graphic representations of data sets by applying various mathematical formulas to financial time series of prices. These formulas comprise a set of rules and parameters whose values are not necessarily known and…

Neural and Evolutionary Computing · Computer Science 2022-11-07 Francisco J. Soltero , Pablo Fernández-Blanco , J. Ignacio Hidalgo

The emerging research paradigm coined as multitasking optimization aims to solve multiple optimization tasks concurrently by means of a single search process. For this purpose, the exploitation of complementarities among the tasks to be…

Artificial Intelligence · Computer Science 2020-05-14 Eneko Osaba , Aritz D. Martinez , Akemi Galvez , Andres Iglesias , Javier Del Ser

The ability to deal with systems parametric uncertainties is an essential issue for heavy self-driving vehicles in unconfined environments. In this sense, robust controllers prove to be efficient for autonomous navigation. However,…

The multiple knapsack problem (MKP) generalizes the classical knapsack problem by assigning items to multiple knapsacks subject to capacity constraints. It is used to model many real-world resource allocation and scheduling problems. In…

Neural and Evolutionary Computing · Computer Science 2026-04-14 Ishara Hewa Pathiranage , Aneta Neumann

Designing high-performance optical lenses entails exploring a high-dimensional, tightly constrained space of surface curvatures, glass choices, element thicknesses, and spacings. In practice, standard optimizers (e.g., gradient-based local…

Neural and Evolutionary Computing · Computer Science 2026-01-30 Kirill Antonov , Teus Tukker , Tiago Botari , Thomas H. W. Bäck , Anna V. Kononova , Niki van Stein

An unbounded external archive (UEA), which stores all nondominated solutions found during the search process, is frequently used to evaluate the performance of multi-objective evolutionary algorithms (MOEAs) in recent studies. A recent…

Neural and Evolutionary Computing · Computer Science 2020-10-05 Ryoji Tanabe , Hisao Ishibuchi

System identification of complex and nonlinear systems is a central problem for model predictive control and model-based reinforcement learning. Despite their complexity, such systems can often be approximated well by a set of linear…

Machine Learning · Statistics 2019-05-30 Philip Becker-Ehmck , Jan Peters , Patrick van der Smagt

System identification through learning approaches is emerging as a promising strategy for understanding and simulating dynamical systems, which nevertheless faces considerable difficulty when confronted with power systems modeled by…

Systems and Control · Electrical Eng. & Systems 2023-12-14 Wenjie Mei , Muhammad Nadeem , MirSaleh Bahavarnia , Ahmad F. Taha

Evolutionary Multitasking (EMT) paradigm, an emerging research topic in evolutionary computation, has been successfully applied in solving high-dimensional feature selection (FS) problems recently. However, existing EMT-based FS methods…

Neural and Evolutionary Computing · Computer Science 2024-01-04 Yinglan Feng , Liang Feng , Songbai Liu , Sam Kwong , Kay Chen Tan

The ongoing advancements in network architecture design have led to remarkable achievements in deep learning across various challenging computer vision tasks. Meanwhile, the development of neural architecture search (NAS) has provided…

Neural and Evolutionary Computing · Computer Science 2023-04-19 Zhichao Lu , Ran Cheng , Yaochu Jin , Kay Chen Tan , Kalyanmoy Deb

In practical optimisation the dominant characteristics of the problem are often not known prior. Therefore, there is a need to develop general solvers as it is not always possible to tailor a specialised approach to each application. The…

Neural and Evolutionary Computing · Computer Science 2021-04-23 P. A. Grudniewski , A. J. Sobey

We develop a Bayesian framework for variable selection in linear regression with autocorrelated errors, accommodating lagged covariates and autoregressive structures. This setting occurs in time series applications where responses depend on…

Methodology · Statistics 2025-08-18 Alokesh Manna , Sujit K. Ghosh

In this article, we discuss some of the recent developments in applying machine learning (ML) techniques to nonlinear dynamical systems. In particular, we demonstrate how to build a suitable ML framework for addressing two specific…

Adaptation and Self-Organizing Systems · Physics 2020-11-30 Sayan Roy , Debanjan Rana

What is motivation and how does it work? Where do goals come from and how do they vary within and between species and individuals? Why do we prefer some things over others? MEDO is a theoretical framework for understanding these questions…

Neurons and Cognition · Quantitative Biology 2019-11-12 Adam Safron

A key challenge to make effective use of evolutionary algorithms is to choose appropriate settings for their parameters. However, the appropriate parameter setting generally depends on the structure of the optimisation problem, which is…

Neural and Evolutionary Computing · Computer Science 2020-04-02 Brendan Case , Per Kristian Lehre

New technologies for recording the activity of large neural populations during complex behavior provide exciting opportunities for investigating the neural computations that underlie perception, cognition, and decision-making. Nonlinear…

Machine Learning · Statistics 2020-06-30 Yuan Zhao , Il Memming Park