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Spectral analysis provides crucial clues for the elucidation of unknown materials. Among various techniques, infrared spectroscopy (IR) plays an important role in laboratory settings due to its high accessibility and low cost. However,…

Artificial Intelligence · Computer Science 2026-05-20 Heewoong Noh , Namkyeong Lee , Gyoung S. Na , Kibum Kim , Chanyoung Park

Motivated by the limitations of current spectral analysis methods-such as reliance on single-modality data, limited generalizability, and poor interpretability-we propose a novel multi-modal spectral analysis framework that integrates prior…

Machine Learning · Computer Science 2025-09-03 Jiheng Liang , Ziru Yu , Zujie Xie , Yuchen Guo , Yulan Guo , Xiangyang Yu

Automated molecular structure elucidation remains challenging, as existing approaches often depend on pre-compiled databases or restrict themselves to single spectroscopic modalities. Here we introduce SpectraLLM, a large language model…

Quantitative Methods · Quantitative Biology 2026-05-12 Yunyue Su , Jiahui Chen , Zao Jiang , Zhenyi Zhong , Liang Wang , Qiang Liu , Zhaoxiang Zhang

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

Unified multimodal understanding and generation have recently received much attention in the area of vision and language. Existing UniMs are designed to simultaneously learn both multimodal understanding and generation capabilities,…

Computer Vision and Pattern Recognition · Computer Science 2025-06-09 Jianwen Sun , Yukang Feng , Chuanhao Li , Fanrui Zhang , Zizhen Li , Jiaxin Ai , Sizhuo Zhou , Yu Dai , Shenglin Zhang , Kaipeng Zhang

Query understanding in large-scale industrial search systems is typically implemented as a cascade of disparate, task-specific components. While individually optimizable, this fragmented architecture incurs high maintenance overhead and…

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) have large potential for molecular optimization, as they can gather external chemistry tools and enable collaborative interactions to iteratively refine molecular candidates. However, this potential remains…

Artificial Intelligence · Computer Science 2025-05-28 Hyomin Kim , Yunhui Jang , Sungsoo Ahn

Conventional mechanical design follows an iterative process in which initial concepts are refined through cycles of expert assessment and resource-intensive Finite Element Method (FEM) analysis to meet performance goals. While machine…

Machine Learning · Computer Science 2025-05-02 Yayati Jadhav , Amir Barati Farimani

Understanding how LLMs reason is hindered by a practical asymmetry: while their generated outputs are observable, the underlying reasoning patterns remain opaque. Relying on single probes, such as Mutual Information Peak (MIP) or…

Computation and Language · Computer Science 2026-05-28 Leonardo Matthew Yauw , Wei-Bin Kou , Yujiu Yang

Large Language Models (LLMs) and Multimodal Large Language Models (MLLMs) have made significant advancements in reasoning capabilities. However, they still face challenges such as high computational demands and privacy concerns. This paper…

In this paper, we present a novel diagnostic framework that integrates Knowledge Graphs (KGs) and Large Language Models (LLMs) to support system diagnostics in high-reliability systems such as nuclear power plants. Traditional diagnostic…

Artificial Intelligence · Computer Science 2025-09-01 Saman Marandi , Yu-Shu Hu , Mohammad Modarres

Large Language Models (LLMs) are playing an increasingly important role in physics research by assisting with symbolic manipulation, numerical computation, and scientific reasoning. However, ensuring the reliability, transparency, and…

Artificial Intelligence · Computer Science 2025-08-19 Yinggan Xu , Hana Kimlee , Yijia Xiao , Di Luo

Semantic analysis on visible (RGB) and infrared (IR) images has gained significant attention due to their enhanced accuracy and robustness under challenging conditions including low-illumination and adverse weather. However, due to the lack…

Computer Vision and Pattern Recognition · Computer Science 2025-10-14 Maoxun Yuan , Bo Cui , Tianyi Zhao , Jiayi Wang , Shan Fu , Xue Yang , Xingxing Wei

Modern signal processing (SP) pipelines, whether model-based or data-driven, often constrained by complex and fragmented workflow, rely heavily on expert knowledge and manual engineering, and struggle with adaptability and generalization…

Machine Learning · Computer Science 2025-10-31 Junlong Ke , Qiying Hu , Shenghai Yuan , Yuecong Xu , Jianfei Yang

The field of efficient Large Language Model (LLM) inference is rapidly evolving, presenting a unique blend of opportunities and challenges. Although the field has expanded and is vibrant, there hasn't been a concise framework that analyzes…

Computation and Language · Computer Science 2024-05-03 Zhihang Yuan , Yuzhang Shang , Yang Zhou , Zhen Dong , Zhe Zhou , Chenhao Xue , Bingzhe Wu , Zhikai Li , Qingyi Gu , Yong Jae Lee , Yan Yan , Beidi Chen , Guangyu Sun , Kurt Keutzer

While Large Language Models (LLMs) excel at reasoning on text and Vision-Language Models (VLMs) are highly effective for visual perception, applying those models for visual instruction-based planning remains a widely open problem. In this…

Machine Learning · Computer Science 2025-09-11 Mohamed Salim Aissi , Clemence Grislain , Mohamed Chetouani , Olivier Sigaud , Laure Soulier , Nicolas Thome

A prior-informed large language model (LLM) driven multi-task learning framework is proposed for the unified description of multiple nuclear observables. By fine-tuning the pre-trained DeepSeek-R1-1.5B model with Low-Rank Adaptation (LoRA),…

Nuclear Theory · Physics 2026-05-29 S. J. Guo , S. Y. Wang , E. H. Wang , Z. M. Niu , Y. M. Ding

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences, where reliability and reproducibility are crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably…

Computation and Language · Computer Science 2024-10-11 Yuan Chiang , Elvis Hsieh , Chia-Hong Chou , Janosh Riebesell

Unsupervised methods are widely used to induce latent semantic structure from large text collections, yet their outputs often contain incoherent, redundant, or poorly grounded clusters that are difficult to validate without labeled data. We…

Computation and Language · Computer Science 2026-04-21 Tunazzina Islam
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