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The integration of large language models (LLMs) into automated algorithm design has shown promising potential. A prevalent approach embeds LLMs within search routines to iteratively generate and refine candidate algorithms. However, most…

Machine Learning · Computer Science 2026-05-20 Fei Liu , Rui Zhang , Xi Lin , Zhichao Lu , Qingfu Zhang

Large Language Models (LLMs) have achieved significant progress across various fields and have exhibited strong potential in evolutionary computation, such as generating new solutions and automating algorithm design. Surrogate-assisted…

Neural and Evolutionary Computing · Computer Science 2024-06-18 Hao Hao , Xiaoqun Zhang , Aimin Zhou

Machine learning (ML) holds great promise for clinical applications but is often hindered by limited access to high-quality data due to privacy concerns, high costs, and long timelines associated with clinical trials. While large language…

Computation and Language · Computer Science 2026-03-27 Zerui Xu , Fang Wu , Yingzhou Lu , Yuanyuan Zhang , Yue Zhao

Computational cognitive models, which formalize theories of cognition, enable researchers to quantify cognitive processes and arbitrate between competing theories by fitting models to behavioral data. Traditionally, these models are…

Machine Learning · Computer Science 2025-11-10 Milena Rmus , Akshay K. Jagadish , Marvin Mathony , Tobias Ludwig , Eric Schulz

Decision trees are a crucial class of models offering robust predictive performance and inherent interpretability across various domains, including healthcare, finance, and logistics. However, current tree induction methods often face…

Machine Learning · Computer Science 2025-03-19 Tennison Liu , Nicolas Huynh , Mihaela van der Schaar

Kalman filter is a key tool for time-series forecasting and analysis. We show that the dependence of a prediction of Kalman filter on the past is decaying exponentially, whenever the process noise is non-degenerate. Therefore, Kalman filter…

Statistics Theory · Mathematics 2019-09-24 Mark Kozdoba , Jakub Marecek , Tigran Tchrakian , Shie Mannor

Over the last few decades, researchers have made considerable efforts to make decision support more accessible for small and medium enterprises by reducing the cost of designing, developing and maintaining automated decision support…

Software Engineering · Computer Science 2025-04-07 Daniel Karapetyan

Scientific and engineering problems often require the use of artificial intelligence to aid understanding and the search for promising designs. While Gaussian processes (GP) stand out as easy-to-use and interpretable learners, they have…

Machine Learning · Computer Science 2021-07-01 Liwei Wang , Suraj Yerramilli , Akshay Iyer , Daniel Apley , Ping Zhu , Wei Chen

Given a quantum Hamiltonian and its evolution time, the corresponding unitary evolution operator can be constructed in many different ways, corresponding to different trajectories between the desired end-points. A choice among these…

Quantum Physics · Physics 2015-03-05 Apoorva Patel

Evolve-based agent such as AlphaEvolve is one of the notable successes in using Large Language Models (LLMs) to build AI Scientists. These agents tackle open-ended scientific problems by iteratively improving and evolving programs,…

Machine Learning · Computer Science 2026-03-31 Yongqiang Chen , Chenxi Liu , Zhenhao Chen , Tongliang Liu , Bo Han , Kun Zhang

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

Machine Learning · Computer Science 2025-05-23 Ziqing Wang , Kexin Zhang , Zihan Zhao , Yibo Wen , Abhishek Pandey , Han Liu , Kaize Ding

Hyperparameter optimization is a crucial problem in Evolutionary Computation. In fact, the values of the hyperparameters directly impact the trajectory taken by the optimization process, and their choice requires extensive reasoning by…

Neural and Evolutionary Computing · Computer Science 2024-08-06 Leonardo Lucio Custode , Fabio Caraffini , Anil Yaman , Giovanni Iacca

Computational experiments have emerged as a valuable method for studying complex systems, involving the algorithmization of counterfactuals. However, accurately representing real social systems in Agent-based Modeling (ABM) is challenging…

Artificial Intelligence · Computer Science 2024-02-02 Qun Ma , Xiao Xue , Deyu Zhou , Xiangning Yu , Donghua Liu , Xuwen Zhang , Zihan Zhao , Yifan Shen , Peilin Ji , Juanjuan Li , Gang Wang , Wanpeng Ma

Programming languages are engineered languages that allow to instruct a machine and share algorithmic information; they have a great influence on the society since they underlie almost every information technology artefact, and they are at…

Programming Languages · Computer Science 2015-10-16 Silvia Crafa

Integrating Large Language Models (LLMs) and Evolutionary Computation (EC) represents a promising avenue for advancing artificial intelligence by combining powerful natural language understanding with optimization and search capabilities.…

Neural and Evolutionary Computing · Computer Science 2025-05-22 Dikshit Chauhan , Bapi Dutta , Indu Bala , Niki van Stein , Thomas Bäck , Anupam Yadav

Combinatorial evolution - the creation of new things through the combination of existing things - can be a powerful way to evolve rather than design technical objects such as electronic circuits. Intriguingly, this seems to be an ongoing…

Software Engineering · Computer Science 2021-11-23 Sebastian Fix , Thomas Probst , Oliver Ruggli , Thomas Hanne , Patrik Christen

Causal graph recovery is traditionally done using statistical estimation-based methods or based on individual's knowledge about variables of interests. They often suffer from data collection biases and limitations of individuals' knowledge.…

Computation and Language · Computer Science 2024-06-19 Yuzhe Zhang , Yipeng Zhang , Yidong Gan , Lina Yao , Chen Wang

The explosive growth of large language models (LLMs) has created a vast but opaque landscape: millions of models exist, yet their evolutionary relationships through fine-tuning, distillation, or adaptation are often undocumented or unclear,…

Machine Learning · Computer Science 2026-05-04 Zhaomin Wu , Haodong Zhao , Ziyang Wang , Jizhou Guo , Qian Wang , Bingsheng He

Motivation: Algorithms that discover variables which are causally related to a target may inform the design of experiments. With observational gene expression data, many methods discover causal variables by measuring each variable's degree…

Quantitative Methods · Quantitative Biology 2014-07-30 Eric V. Strobl , Shyam Visweswaran

This work presents an analytical framework for the design and analysis of LLM-based algorithms, i.e., algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of…

Machine Learning · Computer Science 2025-10-14 Yanxi Chen , Yaliang Li , Bolin Ding , Jingren Zhou