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Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

The proliferation of fake news has had far-reaching implications on politics, the economy, and society at large. While Fake news detection methods have been employed to mitigate this issue, they primarily depend on two essential elements:…

Computation and Language · Computer Science 2024-03-18 Guanghua Li , Wensheng Lu , Wei Zhang , Defu Lian , Kezhong Lu , Rui Mao , Kai Shu , Hao Liao

Scientific discovery catalyzes human intellectual advances, driven by the cycle of hypothesis generation, experimental design, evaluation, and assumption refinement. Central to this process is causal inference, uncovering the mechanisms…

Machine Learning · Computer Science 2025-09-26 Ivaxi Sheth , Sahar Abdelnabi , Mario Fritz

While large language models (LLMs) excel in mathematical and code reasoning, we observe they struggle with social reasoning tasks, exhibiting cognitive confusion, logical inconsistencies, and conflation between objective world states and…

Computation and Language · Computer Science 2025-10-14 Jialu Du , Guiyang Hou , Yihui Fu , Chen Wu , Wenqi Zhang , Yongliang Shen , Weiming Lu

The cognitive sciences aim to understand intelligence by formalizing underlying operations as computational models. Traditionally, this follows a cycle of discovery where researchers develop paradigms, collect data, and test predefined…

Artificial Intelligence · Computer Science 2026-03-24 Akshay K. Jagadish , Milena Rmus , Kristin Witte , Marvin Mathony , Marcel Binz , Eric Schulz

Large language models (LLMs) often struggle with complex mathematical tasks, prone to "hallucinating" incorrect answers due to their reliance on statistical patterns. This limitation is further amplified in average Small LangSLMs with…

Pretrained large Language Models (LLMs) are able to answer questions that are unlikely to have been encountered during training. However a diversity of potential applications exist in the broad domain of reasoning systems and considerations…

Computation and Language · Computer Science 2024-11-27 Tim Hartill

We describe HypotheSAEs, a general method to hypothesize interpretable relationships between text data (e.g., headlines) and a target variable (e.g., clicks). HypotheSAEs has three steps: (1) train a sparse autoencoder on text embeddings to…

Computation and Language · Computer Science 2025-06-10 Rajiv Movva , Kenny Peng , Nikhil Garg , Jon Kleinberg , Emma Pierson

Large language models (LLMs) have shown significant potential in scientific disciplines such as biomedicine, particularly in hypothesis generation, where they can analyze vast literature, identify patterns, and suggest research directions.…

Computation and Language · Computer Science 2025-06-10 Guangzhi Xiong , Eric Xie , Corey Williams , Myles Kim , Amir Hassan Shariatmadari , Sikun Guo , Stefan Bekiranov , Aidong Zhang

Causal inference has been a pivotal challenge across diverse domains such as medicine and economics, demanding a complicated integration of human knowledge, mathematical reasoning, and data mining capabilities. Recent advancements in…

Computation and Language · Computer Science 2025-02-11 Jing Ma

Materials discovery and design are essential for advancing technology across various industries by enabling the development of application-specific materials. Recent research has leveraged Large Language Models (LLMs) to accelerate this…

Computation and Language · Computer Science 2025-02-11 Shrinidhi Kumbhar , Venkatesh Mishra , Kevin Coutinho , Divij Handa , Ashif Iquebal , Chitta Baral

Generating novel and creative scientific hypotheses is a cornerstone in achieving Artificial General Intelligence. Large language and reasoning models have the potential to aid in the systematic creation, selection, and validation of…

Computation and Language · Computer Science 2025-04-18 Charles O'Neill , Tirthankar Ghosal , Roberta Răileanu , Mike Walmsley , Thang Bui , Kevin Schawinski , Ioana Ciucă

Predicting highly-cited papers is a long-standing challenge due to the complex interactions of research content, scholarly communities, and temporal dynamics. Recent advances in large language models (LLMs) raise the question of whether…

Applications · Statistics 2026-01-21 Zhanshuo Ye , Yiming Hou , Rui Pan , Tianchen Gao , Hansheng Wang

A common use of NLP is to facilitate the understanding of large document collections, with a shift from using traditional topic models to Large Language Models. Yet the effectiveness of using LLM for large corpus understanding in real-world…

Computation and Language · Computer Science 2025-06-05 Zongxia Li , Lorena Calvo-Bartolomé , Alexander Hoyle , Paiheng Xu , Alden Dima , Juan Francisco Fung , Jordan Boyd-Graber

Generative large language models (LLMs) are incredibly useful, versatile, and promising tools. However, they will be of most use to political and social science researchers when they are used in a way that advances understanding about real…

Computers and Society · Computer Science 2025-04-08 Lisa P. Argyle , Ethan C. Busby , Joshua R. Gubler , Bryce Hepner , Alex Lyman , David Wingate

The spread of scientific knowledge depends on how researchers discover and cite previous work. The adoption of large language models (LLMs) in the scientific research process introduces a new layer to these citation practices. However, it…

Digital Libraries · Computer Science 2025-04-04 Andres Algaba , Vincent Holst , Floriano Tori , Melika Mobini , Brecht Verbeken , Sylvia Wenmackers , Vincent Ginis

Large language models (LLMs) offer new opportunities for automated data extraction and property prediction across materials science, yet their use in superconductivity research remains limited. Here we construct a large experimental…

Materials Science · Physics 2025-12-12 Suman Itani , Yibo Zhang , Ranjit Itani , Jiadong Zang

Analogical reasoning, the transfer of relational structures across contexts (e.g., planet is to sun as electron is to nucleus), is fundamental to scientific discovery. Yet human insight is often constrained by domain expertise and…

Machine Learning · Computer Science 2025-10-28 Hongyu Guo

Recent claims of strong performance by Large Language Models (LLMs) on causal discovery are undermined by a key flaw: many evaluations rely on benchmarks likely included in pretraining corpora. Thus, apparent success suggests that LLM-only…

This paper explores a top-down approach to automating incremental advances in machine learning research through component-level innovation, facilitated by Large Language Models (LLMs). Our framework systematically generates novel…

Machine Learning · Computer Science 2024-09-10 Shervin Ardeshir