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Large Language Models (LLMs) have achieved remarkable success and have been applied across various scientific fields, including chemistry. However, many chemical tasks require the processing of visual information, which cannot be…

Recently, there has been great success in leveraging pre-trained large language models (LLMs) for time series analysis. The core idea lies in effectively aligning the modality between natural language and time series. However, the…

Machine Learning · Computer Science 2026-03-03 Zongjiang Shang , Dongliang Cui , Binqing Wu , Ling Chen

The burgeoning presence of Large Language Models (LLM) is propelling the development of personalized recommender systems. Most existing LLM-based methods fail to sufficiently explore the multi-view graph structure correlations inherent in…

Information Retrieval · Computer Science 2025-07-30 Xu Guo , Tong Zhang , Yuanzhi Wang , Chenxu Wang , Fuyun Wang , Xudong Wang , Xiaoya Zhang , Xin Liu , Zhen Cui

Large language models (LLMs) have shown great success in text modeling tasks across domains. However, natural language exhibits inherent semantic hierarchies and nuanced geometric structure, which current LLMs do not capture completely…

Machine Learning · Computer Science 2025-11-07 Neil He , Rishabh Anand , Hiren Madhu , Ali Maatouk , Smita Krishnaswamy , Leandros Tassiulas , Menglin Yang , Rex Ying

The recent advancements in generative language models have demonstrated their ability to memorize knowledge from documents and recall knowledge to respond to user queries effectively. Building upon this capability, we propose to enable…

Multimedia · Computer Science 2024-02-19 Yongqi Li , Wenjie Wang , Leigang Qu , Liqiang Nie , Wenjie Li , Tat-Seng Chua

Large Language Models (LLMs) have reshaped our world with significant advancements in science, engineering, and society through applications ranging from scientific discoveries and medical diagnostics to Chatbots. Despite their ubiquity and…

Artificial Intelligence · Computer Science 2025-08-26 Kushal Raj Bhandari , Pin-Yu Chen , Jianxi Gao

Mechanism design has long been a cornerstone of economic theory, with traditional approaches relying on mathematical derivations. Recently, automated approaches, including differentiable economics with neural networks, have emerged for…

Machine Learning · Computer Science 2025-02-19 Jiayuan Liu , Mingyu Guo , Vincent Conitzer

Large language models (LLMs) have demonstrated impressive capabilities across diverse languages. This study explores how LLMs handle multilingualism. Based on observed language ratio shifts among layers and the relationships between network…

Computation and Language · Computer Science 2024-11-12 Yiran Zhao , Wenxuan Zhang , Guizhen Chen , Kenji Kawaguchi , Lidong Bing

Large language models (LLMs) based on transformer architectures are typically described through collections of architectural components and training procedures, obscuring their underlying computational structure. This review article…

Machine Learning · Computer Science 2026-02-03 Vikram Krishnamurthy

In-context learning (ICL) facilitates Large Language Models (LLMs) exhibiting emergent ability on downstream tasks without updating billions of parameters. However, in the area of multi-modal Large Language Models (MLLMs), two problems…

Multimedia · Computer Science 2024-07-02 Jun Gao , Qian Qiao , Ziqiang Cao , Zili Wang , Wenjie Li

There is a significant potential for coding skills to transition fully to natural language in the future. In this context, large language models (LLMs) have shown impressive natural language processing abilities to generate sophisticated…

Materials Science · Physics 2024-06-25 Prathamesh Satpute , Saurabh Tiwari , Maneet Gupta , Supriyo Ghosh

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

Recent advancements for large-scale pre-training with neural signals such as electroencephalogram (EEG) have shown promising results, significantly boosting the development of brain-computer interfaces (BCIs) and healthcare. However, these…

Signal Processing · Electrical Eng. & Systems 2025-03-21 Wei-Bang Jiang , Yansen Wang , Bao-Liang Lu , Dongsheng Li

Energy system models are increasingly employed to guide long-term planning in multi-sectoral environments where decisions span electricity, heat, transport, land use, and industry. While these models provide rigorous quantitative insights,…

Machine Learning · Computer Science 2025-12-02 Ali Forootani , Mohammad Sadr , Danial Esmaeili Aliabadi , Daniela Thraen

Recent text-to-image models excel at generating high-quality object-centric images from instructions. However, images should also encapsulate rich interactions between objects, where existing models often fall short, likely due to limited…

Computer Vision and Pattern Recognition · Computer Science 2026-03-05 Xinyi Gu , Jiayuan Mao

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose…

Machine Learning · Computer Science 2025-08-05 Qian Tan , Dongzhan Zhou , Peng Xia , Wanhao Liu , Wanli Ouyang , Lei Bai , Yuqiang Li , Tianfan Fu

Practical applications of mechanical metamaterials often involve solving inverse problems where the objective is to find the (multiple) microarchitectures that give rise to a given set of properties. The limited resolution of additive…

Material discovery is a critical area of research with the potential to revolutionize various fields, including carbon capture, renewable energy, and electronics. However, the immense scale of the chemical space makes it challenging to…

Machine Learning · Computer Science 2024-11-01 Anuroop Sriram , Benjamin Kurt Miller , Ricky T. Q. Chen , Brandon M. Wood

Language models have become the backbone of today's AI systems. However, their predominant left-to-right generation limits the use of bidirectional context, which is essential for tasks that involve filling text in the middle. We propose…

Computation and Language · Computer Science 2023-10-17 Tianxiao Shen , Hao Peng , Ruoqi Shen , Yao Fu , Zaid Harchaoui , Yejin Choi