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Materials discovery requires navigating vast chemical and structural spaces while satisfying multiple, often conflicting, objectives. We present LLM-guided Evolution for MAterials discovery (LLEMA), a unified framework that couples the…

Machine Learning · Computer Science 2026-03-06 Nikhil Abhyankar , Sanchit Kabra , Saaketh Desai , Chandan K. Reddy

With the powerful reasoning capabilities of large language models (LLMs) and vision-language models (VLMs), many recent works have explored using them for decision-making. However, most of these approaches rely solely on language-based…

Computer Vision and Pattern Recognition · Computer Science 2025-09-30 Yihao Sun , Zhilong Zhang , Yang Yu , Pierre-Luc Bacon

Large language models (LLMs) are increasingly seen as assistants, copilots, and consultants, capable of supporting a wide range of tasks through natural conversation. However, most systems remain constrained by a linear request-response…

Computation and Language · Computer Science 2026-05-05 Jiaqi Chen , Yanzhe Zhang , Yutong Zhang , Yijia Shao , Diyi Yang

Despite the rapid evolution of training paradigms, the decoder backbone of large vision--language models (LVLMs) remains fundamentally rooted in the residual-connection Transformer architecture. Therefore, deciphering the distinct roles of…

Artificial Intelligence · Computer Science 2026-05-08 Gongli Xi , Ye Tian , Mengyu Yang , Huahui Yi , Liang Lin , Xiaoshuai Hao , Kun Wang , Wendong Wang

Sentence embeddings are crucial in measuring semantic similarity. Most recent studies employed large language models (LLMs) to learn sentence embeddings. Existing LLMs mainly adopted autoregressive architecture without explicit backward…

Computation and Language · Computer Science 2024-03-15 Xianming Li , Jing Li

The thermoelastic metamaterial based on a bimaterial hybrid-honeycomb structure, exhibiting simultaneously negative Poisson's ratios and negative thermal expansion coefficients is very promising for various application. This work is…

Applied Physics · Physics 2026-02-25 Xiang-Long Peng , Bai-Xiang Xu

The emergence of Multimodal Large Language Models (MLLMs) has revolutionized image understanding by bridging textual and visual modalities. However, these models often struggle with capturing fine-grained semantic information, such as the…

Computer Vision and Pattern Recognition · Computer Science 2025-07-16 Jie Yang , Wang Zeng , Sheng Jin , Lumin Xu , Wentao Liu , Chen Qian , Zhen Li , Ruimao Zhang

Accurate analysis of industrial time-series big data is critical for the Prognostics and Health Management (PHM) of industrial equipment. While recent advancements in Large Language Models (LLMs) have shown promise in time-series analysis,…

Machine Learning · Computer Science 2026-03-10 Haiteng Wang , Yikang Li , Yunfei Zhu , Jingheng Yan , Lei Ren , Laurence T. Yang

Understanding large-scale, complex software systems is a major challenge for developers, who spend a significant portion of their time on program comprehension. Traditional tools such as static visualizations and reverse engineering…

Software Engineering · Computer Science 2025-08-11 Yoseph Berhanu Alebachew

Multimodal large language models (MLLMs) have shown promising reasoning abilities, yet evaluating their performance in specialized domains remains challenging. STEM reasoning is a particularly valuable testbed because it provides highly…

Computer Vision and Pattern Recognition · Computer Science 2026-05-11 Jing Jin , Hao Liu , Yan Bai , Yihang Lou , Zhenke Wang , Tianrun Yuan , Juntong Chen , Yongkang Zhu , Fanhu Zeng , Xuanyu Zhu , Tao Feng , Yige Xu

For data-constrained, complex and dynamic industrial environments, there is a critical need for transferable and multimodal methodologies to enhance anomaly detection and therefore, prevent costs associated with system failures. Typically,…

Large language models (LLMs) have achieved remarkable success and demonstrated superior performance across various tasks, including natural language processing (NLP), weather forecasting, biological protein folding, text generation, and…

Artificial Intelligence · Computer Science 2025-12-09 Sarang Patil , Zeyong Zhang , Yiran Huang , Tengfei Ma , Mengjia Xu

Large Language Models (LLMs) excel in various natural language processing tasks, but leveraging them for dense passage embedding remains challenging. This is due to their causal attention mechanism and the misalignment between their…

Computation and Language · Computer Science 2024-08-08 Hieu Man , Nghia Trung Ngo , Franck Dernoncourt , Thien Huu Nguyen

Large language models (LLMs) can sometimes report the strategies they actually use to solve tasks, yet at other times seem unable to recognize those strategies that govern their behavior. This suggests a limited degree of metacognition -…

Artificial Intelligence · Computer Science 2025-10-27 Li Ji-An , Hua-Dong Xiong , Robert C. Wilson , Marcelo G. Mattar , Marcus K. Benna

We propose Diverse Embedding Neural Network (DENN), a novel architecture for language models (LMs). A DENNLM projects the input word history vector onto multiple diverse low-dimensional sub-spaces instead of a single higher-dimensional…

Computation and Language · Computer Science 2015-04-17 Kartik Audhkhasi , Abhinav Sethy , Bhuvana Ramabhadran

Multimodal Large Language Models (MLLMs) have achieved remarkable progress in vision-language understanding, yet how they internally integrate visual and textual information remains poorly understood. To bridge this gap, we perform a…

Computer Vision and Pattern Recognition · Computer Science 2026-01-14 Shezheng Song , Shasha Li , Jie Yu

In recent times, the emergence of Large Language Models (LLMs) has resulted in increasingly larger model size, posing challenges for inference on low-resource devices. Prior approaches have explored offloading to facilitate low-memory…

Performance · Computer Science 2024-03-05 Xuanlei Zhao , Bin Jia , Haotian Zhou , Ziming Liu , Shenggan Cheng , Yang You

The applications of large language models (LLMs) are promising for biomedical and healthcare research. Despite the availability of open-source LLMs trained using a wide range of biomedical data, current research on the applications of LLMs…

Machine Learning · Computer Science 2024-09-25 Tianyu Liu , Yijia Xiao , Xiao Luo , Hua Xu , W. Jim Zheng , Hongyu Zhao

Large Language Models (LLMs) have an unrivaled and invaluable ability to "align" their output to a diverse range of human preferences, by mirroring them in the text they generate. The internal characteristics of such models, however, remain…

Computation and Language · Computer Science 2024-07-08 Brenden Smith , Dallin Baker , Clayton Chase , Myles Barney , Kaden Parker , Makenna Allred , Peter Hu , Alex Evans , Nancy Fulda

Goal-oriented de novo molecule design, namely generating molecules with specific property or substructure constraints, is a crucial yet challenging task in drug discovery. Existing methods, such as Bayesian optimization and reinforcement…

Computational Engineering, Finance, and Science · Computer Science 2025-02-28 Chuanliu Fan , Ziqiang Cao , Zicheng Ma , Nan Yu , Yimin Peng , Jun Zhang , Yiqin Gao , Guohong Fu
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