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Large language models are being rapidly deployed across many fields such as healthcare, finance, transportation, and energy, where time-series data are fundamental components. The current works are still limited in their ability to perform…

Artificial Intelligence · Computer Science 2026-01-23 Paul Quinlan , Qingguo Li , Xiaodan Zhu

Large Language Models (LLMs) are versatile and demonstrate impressive generalization ability by mining and learning information from extensive unlabeled text. However, they still exhibit reasoning mistakes, often stemming from knowledge…

Computation and Language · Computer Science 2024-08-22 Kai Xiong , Xiao Ding , Li Du , Jiahao Ying , Ting Liu , Bing Qin , Yixin Cao

Large language models (LLMs) are increasingly embedded in AI-based tutoring systems. Can they faithfully model novice reasoning and metacognitive judgments? Existing evaluations emphasize problem-solving accuracy, overlooking the fragmented…

Computation and Language · Computer Science 2026-05-12 Conrad Borchers , Jill-Jênn Vie , Roger Azevedo

Multi-modal large language models (MLLMs) have shown incredible capabilities in a variety of 2D vision and language tasks. We extend MLLMs' perceptual capabilities to ground and reason about images in 3-dimensional space. To that end, we…

Computer Vision and Pattern Recognition · Computer Science 2024-05-07 Jang Hyun Cho , Boris Ivanovic , Yulong Cao , Edward Schmerling , Yue Wang , Xinshuo Weng , Boyi Li , Yurong You , Philipp Krähenbühl , Yan Wang , Marco Pavone

Large language models (LLMs) have shown growing promise in biomedical research, particularly for knowledge-driven interpretation tasks. However, their ability to reliably reason from gene-level knowledge to functional understanding, a core…

Genomics · Quantitative Biology 2026-05-25 Xiaohan Huang , Meng Xiao , Chuan Qin , Qingqing Long , Jinmiao Chen , Yuanchun Zhou , Hengshu Zhu

The remarkable success of Large Language Models (LLMs) across diverse tasks has driven the research community to extend their capabilities to molecular applications. However, most molecular LLMs employ adapter-based architectures that do…

Computation and Language · Computer Science 2025-06-24 Shuhan Guo , Yatao Bian , Ruibing Wang , Nan Yin , Zhen Wang , Quanming Yao

Large Language Models (LLMs) show great promise as a powerful tool for scientific literature exploration. However, their effectiveness in providing scientifically accurate and comprehensive answers to complex questions within specialized…

Large Language Models (LLMs) have shown human-like reasoning abilities but still struggle with complex logical problems. This paper introduces a novel framework, Logic-LM, which integrates LLMs with symbolic solvers to improve logical…

Computation and Language · Computer Science 2023-10-20 Liangming Pan , Alon Albalak , Xinyi Wang , William Yang Wang

We introduce the Concept Bottleneck Large Language Model (CB-LLM), a pioneering approach to creating inherently interpretable Large Language Models (LLMs). Unlike traditional black-box LLMs that rely on post-hoc interpretation methods with…

Computation and Language · Computer Science 2024-07-08 Chung-En Sun , Tuomas Oikarinen , Tsui-Wei Weng

Large language models (LLMs) have demonstrated remarkable advancements, primarily due to their capabilities in modeling the hidden relationships within text sequences. This innovation presents a unique opportunity in the field of life…

Genomics · Quantitative Biology 2024-12-25 Cong Li , Qingqing Long , Yuanchun Zhou , Meng Xiao

Large language models (LLMs) are increasingly applied to scientific research, yet existing evaluations often fail to reflect the fine-grained capabilities required in practice. Most benchmarks are manually curated or domain-generic,…

Advancements in artificial intelligence for molecular science are necessitating a paradigm shift from purely data-driven predictions to knowledge-guided computational reasoning. Existing molecular models are predominantly proprietary,…

Machine Learning · Computer Science 2026-03-16 Pengfei Liu , Shuang Ge , Jun Tao , Zhixiang Ren

In recent years, Large Language Models (LLMs) have achieved significant success in natural language processing (NLP) and various interdisciplinary areas. However, applying LLMs to chemistry is a complex task that requires specialized domain…

Machine Learning · Computer Science 2024-02-05 Chang Liao , Yemin Yu , Yu Mei , Ying Wei

While large language models (LLMs) have demonstrated impressive capabilities across various natural language processing tasks by acquiring rich factual knowledge from their broad training data, their ability to synthesize and logically…

Computation and Language · Computer Science 2024-07-31 Tianshi Zheng , Jiaxin Bai , Yicheng Wang , Tianqing Fang , Yue Guo , Yauwai Yim , Yangqiu Song

The integration of Multimodal Large Language Models (MLLMs) into chemistry promises to revolutionize scientific discovery, yet their ability to comprehend the dense, graphical language of reactions within authentic literature remains…

Computer Vision and Pattern Recognition · Computer Science 2026-01-29 Hanzheng Li , Xi Fang , Yixuan Li , Chaozheng Huang , Junjie Wang , Xi Wang , Hongzhe Bai , Bojun Hao , Shenyu Lin , Huiqi Liang , Linfeng Zhang , Guolin Ke

Large Language Models (LLMs) have succeeded remarkably in various natural language processing (NLP) tasks, yet their reasoning capabilities remain a fundamental challenge. While LLMs exhibit impressive fluency and factual recall, their…

Computation and Language · Computer Science 2025-05-29 Avinash Patil , Aryan Jadon

Large Language Models (LLMs) have developed rapidly and are widely applied to both general-purpose and professional tasks to assist human users. However, they still struggle to comprehend and respond to the true user needs when intentions…

Computation and Language · Computer Science 2026-02-17 Minyuan Ruan , Ziyue Wang , Kaiming Liu , Yunghwei Lai , Peng Li , Yang Liu

We introduce Concept Bottleneck Large Language Models (CB-LLMs), a novel framework for building inherently interpretable Large Language Models (LLMs). In contrast to traditional black-box LLMs that rely on limited post-hoc interpretations,…

Computation and Language · Computer Science 2025-09-09 Chung-En Sun , Tuomas Oikarinen , Berk Ustun , Tsui-Wei Weng

Large language models (LLMs) have demonstrated broad utility across molecular domains, spanning drug discovery and materials design. Analyzing LLMs' latent representations is crucial for elucidating their underlying mechanisms, improving…

Machine Learning · Computer Science 2026-02-03 Zhuoran Li , Xu Sun , Wanyu Lin , Jiannong Cao

Large Language Models (LLMs) have transformed natural language processing and hold growing promise for advancing science, healthcare, and decision-making. Yet their training paradigms remain dominated by affirmation-based inference, akin to…

Artificial Intelligence · Computer Science 2025-12-05 Peter B. Walker , Hannah Davidson , Aiden Foster , Matthew Lienert , Thomas Pardue , Dale Russell
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