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Since the advent of Large Language Models (LLMs), efforts have largely focused on improving their instruction-following and deductive reasoning abilities, leaving open the question of whether these models can truly discover new knowledge.…

Computation and Language · Computer Science 2025-10-31 Kaiyu He , Zhiyu Chen

LLM-driven program evolution has emerged as a powerful tool for automated scientific discovery, yet existing frameworks offer no principled guide for designing their individual components and provide no guarantee that the search converges.…

Artificial Intelligence · Computer Science 2026-05-18 Jiachen Jiang , Huminhao Zhu , Zhihui Zhu

Microscopy techniques have played vital roles in materials science, biology, and nanotechnology, offering high-resolution imaging and detailed insights into properties at nanoscale and atomic level. The automation of microscopy experiments,…

Materials Science · Physics 2024-08-06 Utkarsh Pratiush , Hiroshi Funakubo , Rama Vasudevan , Sergei V. Kalinin , Yongtao Liu

Large language models (LLMs) have grown in their usage to provide support for question answering across numerous disciplines. The models on their own have already shown promise for answering basic questions, however fail quickly where…

Information Retrieval · Computer Science 2025-04-15 David Brett , Anniek Myatt

Scientific leaderboards are standardized ranking systems that facilitate evaluating and comparing competitive methods. Typically, a leaderboard is defined by a task, dataset, and evaluation metric (TDM) triple, allowing objective…

Computation and Language · Computer Science 2024-09-20 Furkan Şahinuç , Thy Thy Tran , Yulia Grishina , Yufang Hou , Bei Chen , Iryna Gurevych

Large Language Models (LLMs) are being explored for applications in scientific research, including their capabilities to synthesize literature, answer research questions, generate research ideas, and even conduct computational experiments.…

Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains…

Computation and Language · Computer Science 2025-10-09 Yixin Ou , Yujie Luo , Jingsheng Zheng , Lanning Wei , Zhuoyun Yu , Shuofei Qiao , Jintian Zhang , Da Zheng , Yuren Mao , Yunjun Gao , Huajun Chen , Ningyu Zhang

Hypothesis formulation and testing are central to empirical research. A strong hypothesis is a best guess based on existing evidence and informed by a comprehensive view of relevant literature. However, with exponential increase in the…

Computation and Language · Computer Science 2024-03-27 Sai Koneru , Jian Wu , Sarah Rajtmajer

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific…

The history of science is punctuated by serendipitous discoveries, where unexpected observations, rather than targeted hypotheses, opened new fields of inquiry. While modern autonomous laboratories excel at accelerating hypothesis testing,…

Artificial Intelligence · Computer Science 2025-08-12 Lance Yao , Suman Samantray , Ayana Ghosh , Kevin Roccapriore , Libor Kovarik , Sarah Allec , Maxim Ziatdinov

Misalignment between claims and their cited evidence is a common failure mode in reports generated by large language models, limiting their reliability in scientific and other high-stakes settings. We present DeepSciVerify, a two-stage…

Artificial Intelligence · Computer Science 2026-05-28 Shaghayegh Sadeghi , Khashayar Khajavi , Rise Adhikari , Alexander Tessier

Software engineering practices for validating autonomous cyber-physical systems (e.g., Uncrewed Aerial Vehicles) remain fragmented across scenario design, simulation execution, and telemetry analysis, limiting traceability between…

Software Engineering · Computer Science 2026-04-14 Ankit Agrawal , Jithin Garapati , Bohan Zhang

The remarkable success of pretrained language models has motivated the study of what kinds of knowledge these models learn during pretraining. Reformulating tasks as fill-in-the-blanks problems (e.g., cloze tests) is a natural approach for…

Computation and Language · Computer Science 2020-11-10 Taylor Shin , Yasaman Razeghi , Robert L. Logan , Eric Wallace , Sameer Singh

Recommender-systems research has accelerated model and evaluation advances, yet largely neglects automating the research process itself. We argue for a shift from narrow AutoRecSys tools -- focused on algorithm selection and hyper-parameter…

Information Retrieval · Computer Science 2025-10-22 Joeran Beel , Bela Gipp , Tobias Vente , Moritz Baumgart , Philipp Meister

Scientific problem solving poses unique challenges for LLMs, requiring both deep domain knowledge and the ability to apply such knowledge through complex reasoning. While automated scientific reasoners hold great promise for assisting human…

Computation and Language · Computer Science 2026-05-29 Alan Li , Yixin Liu , Arpan Sarkar , Doug Downey , Arman Cohan

This paper investigates the potential of AI models, particularly large language models (LLMs), to support knowledge exploration and augment human creativity during ideation. We present "Latent Lab" an interactive tool for discovering…

Artificial Intelligence · Computer Science 2023-11-23 Kevin Dunnell , Trudy Painter , Andrew Stoddard , Andy Lippman

Despite the dramatic progress in Large Language Model (LLM) development, LLMs often provide seemingly plausible but not factual information, often referred to as hallucinations. Retrieval-augmented LLMs provide a non-parametric approach to…

Computation and Language · Computer Science 2023-11-09 Sai Munikoti , Anurag Acharya , Sridevi Wagle , Sameera Horawalavithana

AI has the potential to transform scientific discovery by analyzing vast datasets with little human effort. However, current workflows often do not provide the accuracy or statistical guarantees that are needed. We introduce active…

Computer Vision and Pattern Recognition · Computer Science 2025-11-21 Max Hamilton , Jinlin Lai , Wenlong Zhao , Subhransu Maji , Daniel Sheldon