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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,…

人工智能 · 计算机科学 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…

机器学习 · 计算机科学 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…

定量方法 · 定量生物学 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…

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,…

计算机视觉与模式识别 · 计算机科学 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…

计算与语言 · 计算机科学 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…

人工智能 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算与语言 · 计算机科学 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…

人工智能 · 计算机科学 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…

人工智能 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

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…

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),…

核理论 · 物理学 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…

计算与语言 · 计算机科学 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…

计算与语言 · 计算机科学 2026-04-21 Tunazzina Islam
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