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Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine Learning · Computer Science 2025-12-05 Hongchen Wang , Rafael Espinosa Castañeda , Jay R. Werber , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

In many scientific fields, large language models (LLMs) have revolutionized the way text and other modalities of data (e.g., molecules and proteins) are handled, achieving superior performance in various applications and augmenting the…

Computation and Language · Computer Science 2024-10-01 Yu Zhang , Xiusi Chen , Bowen Jin , Sheng Wang , Shuiwang Ji , Wei Wang , Jiawei Han

Causality is essential for understanding complex systems, such as the economy, the brain, and the climate. Constructing causal graphs often relies on either data-driven or expert-driven approaches, both fraught with challenges. The former…

Artificial Intelligence · Computer Science 2024-06-12 Kai-Hendrik Cohrs , Gherardo Varando , Emiliano Diaz , Vasileios Sitokonstantinou , Gustau Camps-Valls

Algorithm design is crucial for effective problem-solving across various domains. The advent of Large Language Models (LLMs) has notably enhanced the automation and innovation within this field, offering new perspectives and promising…

Machine Learning · Computer Science 2026-01-06 Fei Liu , Yiming Yao , Ping Guo , Zhiyuan Yang , Zhe Zhao , Xi Lin , Xialiang Tong , Kun Mao , Zhichao Lu , Zhenkun Wang , Mingxuan Yuan , Qingfu Zhang

Large language models have enabled automated algorithm design (AAD) by generating optimization algorithms directly from natural-language prompts. While evolutionary frameworks such as LLaMEA demonstrate strong exploratory capabilities…

Artificial Intelligence · Computer Science 2026-01-30 Niki van Stein , Anna V. Kononova , Lars Kotthoff , Thomas Bäck

Data driven discovery of partial differential equations (PDEs) is a promising approach for uncovering the underlying laws governing complex systems. However, purely data driven techniques face the dilemma of balancing search space with…

Machine Learning · Computer Science 2025-05-12 Hao Xu , Yuntian Chen , Rui Cao , Tianning Tang , Mengge Du , Jian Li , Adrian H. Callaghan , Dongxiao Zhang

Large Language Models (LLMs) such as GPT-4 have demonstrated their ability to understand natural language and generate complex code snippets. This paper introduces a novel Large Language Model Evolutionary Algorithm (LLaMEA) framework,…

Neural and Evolutionary Computing · Computer Science 2025-01-31 Niki van Stein , Thomas Bäck

Large language models (LLMs) have greatly accelerated the automation of algorithm generation and optimization. However, current methods such as EoH and FunSearch mainly rely on predefined templates and expert-specified functions that focus…

Software Engineering · Computer Science 2025-03-17 Zhe Zhao , Haibin Wen , Pengkun Wang , Ye Wei , Zaixi Zhang , Xi Lin , Fei Liu , Bo An , Hui Xiong , Yang Wang , Qingfu Zhang

As content generated by Large Language Model (LLM) has grown exponentially, the ability to accurately identify and fingerprint such text has become increasingly crucial. In this work, we introduce a novel black-box approach for…

Cryptography and Security · Computer Science 2024-08-07 Dmitri Iourovitski , Sanat Sharma , Rakshak Talwar

Large Language Models (LLMs) have advanced Automated Heuristic Design (AHD) in combinatorial optimization (CO) in the past few years. However, existing discovery pipelines often require extensive manual trial-and-error or reliance on domain…

Neural and Evolutionary Computing · Computer Science 2026-02-19 Mingxin Yu , Ruixiao Yang , Chuchu Fan

Deductive coding is a widely used qualitative research method for determining the prevalence of themes across documents. While useful, deductive coding is often burdensome and time consuming since it requires researchers to read, interpret,…

Computation and Language · Computer Science 2023-06-28 Robert Chew , John Bollenbacher , Michael Wenger , Jessica Speer , Annice Kim

Large language models (LLMs) are trained on text-only data that go far beyond the languages with paired speech and text data. At the same time, Dual Encoder (DE) based retrieval systems project queries and documents into the same embedding…

Computation and Language · Computer Science 2024-07-11 Frank Palma Gomez , Ramon Sanabria , Yun-hsuan Sung , Daniel Cer , Siddharth Dalmia , Gustavo Hernandez Abrego

Problem-solving has been a fundamental driver of human progress in numerous domains. With advancements in artificial intelligence, Large Language Models (LLMs) have emerged as powerful tools capable of tackling complex problems across…

Machine Learning · Computer Science 2025-05-07 Da Zheng , Lun Du , Junwei Su , Yuchen Tian , Yuqi Zhu , Jintian Zhang , Lanning Wei , Ningyu Zhang , Huajun Chen

The ability of Large Language Models (LLMs) to perform reasoning tasks such as deduction has been widely investigated in recent years. Yet, their capacity to generate proofs-faithful, human-readable explanations of why conclusions…

Artificial Intelligence · Computer Science 2026-01-21 Hui Yang , Jiaoyan Chen , Uli Sattler

Large language models (LLMs) exhibit strong semantic understanding, yet struggle when user instructions involve ambiguous or conceptually misaligned terms. We propose the Language Graph Model (LGM) to enhance conceptual clarity by…

Computation and Language · Computer Science 2025-11-06 Wenchang Lei , Ping Zou , Yue Wang , Feng Sun , Lei Zhao

This paper investigates the utilization of Large Language Models (LLMs) for solving complex linguistic puzzles, a domain requiring advanced reasoning and adept translation capabilities akin to human cognitive processes. We explore specific…

Computation and Language · Computer Science 2025-02-04 Zheng-Lin Lin , Yu-Fei Shih , Shu-Kai Hsieh

Large language model (LLM) alignment relies on complex reward signals that often obscure the specific behaviors being incentivized, creating critical risks of misalignment and reward hacking. Existing interpretation methods typically rely…

Machine Learning · Computer Science 2026-05-22 Edward Chen , Sanmi Koyejo , Carlos Guestrin

Large Language Models (LLMs) have emerged with many intellectual capacities. While numerous benchmarks assess their intelligence, limited attention has been given to their ability to explore--an essential capacity for discovering new…

Artificial Intelligence · Computer Science 2025-05-13 Lan Pan , Hanbo Xie , Robert C. Wilson

Phenotype-driven gene prioritization is a critical process in the diagnosis of rare genetic disorders for identifying and ranking potential disease-causing genes based on observed physical traits or phenotypes. While traditional approaches…

Quantitative Methods · Quantitative Biology 2024-04-04 Junyoung Kim , Jingye Yang , Kai Wang , Chunhua Weng , Cong Liu

With the exponential increase in online scientific literature, identifying reliable domain-specific data has become increasingly important but also very challenging. Manual data collection and filtering for domain-specific scientific…

Information Retrieval · Computer Science 2026-03-10 Nikita Gautam , Doina Caragea , Ignacio Ciampitti , Federico Gomez
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