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Measuring innovation often relies on context-specific proxies and on expert evaluation. Hence, empirical innovation research is often limited to settings where such data is available. We investigate how large language models (LLMs) can be…

Computation and Language · Computer Science 2025-08-05 Robin Nowak , Patrick Figge , Carolin Haeussler

The rapid rise in popularity of Large Language Models (LLMs) with emerging capabilities has spurred public curiosity to evaluate and compare different LLMs, leading many researchers to propose their own LLM benchmarks. Noticing preliminary…

Artificial Intelligence · Computer Science 2025-05-15 Timothy R. McIntosh , Teo Susnjak , Nalin Arachchilage , Tong Liu , Paul Watters , Malka N. Halgamuge

Language models (LMs) built upon deep neural networks (DNNs) have recently demonstrated breakthrough effectiveness in software engineering tasks such as code generation, completion, and repair. This has paved the way for the emergence of…

Software Engineering · Computer Science 2025-01-06 Jingzhi Gong , Vardan Voskanyan , Paul Brookes , Fan Wu , Wei Jie , Jie Xu , Rafail Giavrimis , Mike Basios , Leslie Kanthan , Zheng Wang

Modern optimization in experimental chemistry employs algorithmic search through black-box parameter spaces. Here we demonstrate that pre-trained knowledge in large language models (LLMs) fundamentally changes this paradigm. Using six fully…

Machine Learning · Computer Science 2025-10-29 Robert MacKnight , Jose Emilio Regio , Jeffrey G. Ethier , Luke A. Baldwin , Gabe Gomes

Large language models (LLMs) have been proposed as alternatives to human experts for estimating unknown quantities with associated uncertainty, a process known as Bayesian elicitation. We test this by asking eleven LLMs to estimate…

Artificial Intelligence · Computer Science 2026-04-03 Luka Hobor , Mario Brcic , Mihael Kovac , Kristijan Poje

As language models accelerate scientific research by automating hypothesis generation and implementation, a new bottleneck emerges: evaluating and filtering hundreds of AI-generated ideas without exhaustive experimentation. We ask whether…

Machine Learning · Computer Science 2026-05-22 Srujan P Mule , Aniketh Garikaparthi , Manasi Patwardhan

With the rapid advancement of AI, software engineering increasingly relies on AI-driven approaches, particularly language models (LMs), to enhance code performance. However, the trustworthiness and reliability of LMs remain significant…

Software Engineering · Computer Science 2025-03-19 Jingzhi Gong

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

Large Language Models (LLMs) are powerful linguistic engines but remain susceptible to hallucinations: plausible-sounding outputs that are factually incorrect or unsupported. In this work, we present a mathematically grounded framework to…

Computation and Language · Computer Science 2025-11-20 Moses Kiprono

As large language models attract increasing attention and find widespread application, concurrent challenges of reliability also arise at the same time. Confidence calibration, an effective analysis method for gauging the reliability of…

Computation and Language · Computer Science 2023-11-23 Chiwei Zhu , Benfeng Xu , Quan Wang , Yongdong Zhang , Zhendong Mao

As large language models (LLMs) are increasingly deployed in high-stakes applications, robust uncertainty estimation is essential for ensuring the safe and trustworthy deployment of LLMs. We present the most comprehensive study to date of…

Computation and Language · Computer Science 2025-06-02 Linwei Tao , Yi-Fan Yeh , Minjing Dong , Tao Huang , Philip Torr , Chang Xu

Eliciting information to reduce uncertainty about a latent entity is a critical task in many application domains, e.g., assessing individual student learning outcomes, diagnosing underlying diseases, or learning user preferences. Though…

Computation and Language · Computer Science 2025-07-10 Jimmy Wang , Thomas Zollo , Richard Zemel , Hongseok Namkoong

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

Optimization problems seek to find the best solution to an objective under a set of constraints, and have been widely investigated in real-world applications. Modeling and solving optimization problems in a specific domain typically require…

Optimization and Control · Mathematics 2024-07-12 Jihai Zhang , Wei Wang , Siyan Guo , Li Wang , Fangquan Lin , Cheng Yang , Wotao Yin

Natural language explanations play a fundamental role in Natural Language Inference (NLI) by revealing how premises logically entail hypotheses. Recent work has shown that the interaction of large language models (LLMs) with theorem provers…

Computation and Language · Computer Science 2025-06-02 Xin Quan , Marco Valentino , Louise A. Dennis , André Freitas

The rapid evolution of Large Language Models (LLMs) has markedly expanded their application across diverse domains, transforming how complex problems are approached and solved. Initially conceived to predict subsequent words in texts, these…

Artificial Intelligence · Computer Science 2024-07-11 Sumedh Rasal , E. J. Hauer

While systems designed for solving planning tasks vastly outperform Large Language Models (LLMs) in this domain, they usually discard the rich semantic information embedded within task descriptions. In contrast, LLMs possess parametrised…

Computation and Language · Computer Science 2025-02-03 Andrey Borro , Patricia J Riddle , Michael W Barley , Michael J Witbrock

While Large Language Models (LLMs) have exhibited remarkable emergent capabilities through extensive pre-training, they still face critical limitations in generalizing to specialized domains and handling diverse linguistic variations, known…

Computation and Language · Computer Science 2025-05-28 Jinwu Hu , Zhitian Zhang , Guohao Chen , Xutao Wen , Chao Shuai , Wei Luo , Bin Xiao , Yuanqing Li , Mingkui Tan

Large language models (LLMs) are proficient at generating fluent text with minimal task-specific supervision. Yet, their ability to provide well-grounded rationalizations for knowledge-intensive tasks remains under-explored. Such tasks,…

Computation and Language · Computer Science 2024-02-02 Aditi Mishra , Sajjadur Rahman , Hannah Kim , Kushan Mitra , Estevam Hruschka
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