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Powder diffraction is a primary structural characterization tool in materials science, yet automated phase identification remains a major bottleneck for autonomous discovery. Existing workflows rely heavily on search--match heuristics and…

Materials Science · Physics 2026-05-13 Lalit Yadav , Yongqiang Cheng , Mathieu Doucet

Large language models (LLMs) have recently shown strong progress on scientific reasoning, yet two major bottlenecks remain. First, explicit retrieval fragments reasoning, imposing a hidden "tool tax" of extra tokens and steps. Second,…

Automation underpins progress across scientific and industrial disciplines. Yet, automating tasks requiring interpretation of abstract visual information remain challenging. For example, crystal alignment strongly relies on humans with the…

Machine Learning · Computer Science 2026-04-14 J. Oppliger , M. Stifter , A. Rüegg , I. Biało , L. Martinelli , P. G. Freeman , D. Prabhakaran , J. Zhao , Q. Wang , J. Chang

Large Language Models (LLMs) demonstrate remarkable capabilities in various reasoning tasks. However, they encounter significant challenges when it comes to scientific reasoning, particularly in physics, which requires not only mathematical…

Artificial Intelligence · Computer Science 2024-12-03 Raj Jaiswal , Dhruv Jain , Harsh Parimal Popat , Avinash Anand , Abhishek Dharmadhikari , Atharva Marathe , Rajiv Ratn Shah

Despite the remarkable capabilities of text-to-image (T2I) generation models, real-world applications often demand fine-grained, iterative image editing that existing methods struggle to provide. Key challenges include granular instruction…

Computer Vision and Pattern Recognition · Computer Science 2025-08-26 Zihan Liang , Jiahao Sun , Haoran Ma

The discovery of new structural and functional materials is driven by phase identification, often using X-ray diffraction (XRD). Automation has accelerated the rate of XRD measurements, greatly outpacing XRD analysis techniques that remain…

Large-scale facilities increasingly face analysis and reporting latency as the limiting step in scientific throughput, particularly for structurally and magnetically complex samples that require iterative reduction, integration, refinement,…

Artificial Intelligence · Computer Science 2026-02-20 Zhongcan Xiao , Leyi Zhang , Guannan Zhang , Xiaoping Wang

Recent breakthroughs in machine learning and artificial intelligence, fueled by scientific data, are revolutionizing the discovery of new materials. Despite the wealth of existing scientific literature, the availability of both structured…

Chemical Physics · Physics 2024-10-08 Mehrad Ansari , Jeffrey Watchorn , Carla E. Brown , Joseph S. Brown

While recent Large Vision-Language Models (LVLMs) exhibit strong multimodal reasoning abilities, they often produce ungrounded or hallucinated responses because they rely too heavily on linguistic priors instead of visual evidence. This…

Computer Vision and Pattern Recognition · Computer Science 2026-03-19 Sungheon Jeong , Ryozo Masukawa , Jihong Park , Sanggeon Yun , Wenjun Huang , Hanning Chen , Mahdi Imani , Mohsen Imani

We present a modular framework powered by large language models (LLMs) that automates and streamlines key tasks across the early-stage computational drug discovery pipeline. By combining LLM reasoning with domain-specific tools, the…

Complex image restoration aims to recover high-quality images from inputs affected by multiple degradations such as blur, noise, rain, and compression artifacts. Recent restoration agents, powered by vision-language models and large…

Computer Vision and Pattern Recognition · Computer Science 2026-04-07 Jianglin Lu , Yuanwei Wu , Ziyi Zhao , Hongcheng Wang , Felix Jimenez , Abrar Majeedi , Yun Fu

Powder X-ray diffraction (XRD) is a foundational technique for characterizing crystalline materials. However, the reliable interpretation of XRD patterns, particularly in multiphase systems, remains a manual and expertise-demanding task. As…

Materials Science · Physics 2026-02-24 Yuxing Fei , Matthew J. McDermott , Christopher L. Rom , Shilong Wang , Gerbrand Ceder

Agentic AI systems use specialized agents to handle tasks within complex workflows, enabling automation and efficiency. However, optimizing these systems often requires labor-intensive, manual adjustments to refine roles, tasks, and…

Computation and Language · Computer Science 2024-12-24 Kamer Ali Yuksel , Hassan Sawaf

Nuclear waste management requires rigorous regulatory compliance assessment, demanding advanced decision-support systems capable of addressing complex legal, environmental, and safety considerations. This paper presents a multi-agent…

Multiagent Systems · Computer Science 2025-05-29 Dongjune Chang , Sola Kim , Young Soo Park

With the development of artificial intelligence (AI), large language models (LLM) are widely used in many fields. However, the reasoning ability of LLM is still very limited when it comes to mathematical reasoning. Mathematics plays an…

Computation and Language · Computer Science 2024-08-06 Wenbei Xie , Donglin Liu , Haoran Yan , Wenjie Wu , Zongyang Liu

Next-Generation Sequencing (NGS) has become a cornerstone of genomic research, yet the complexity of downstream analysis-ranging from differential expression gene (DEG) identification to biological interpretations-remains a significant…

Genomics · Quantitative Biology 2025-12-12 Donghyeon Lee , Dongseok Kim , Seokhwan Ko , Seo-Young Park , Junghwan Cho

Recent text-guided image editing (TIE) models have made remarkable progress, yet edited images still frequently suffer from fine-grained issues such as unnatural objects, lighting mismatch, and unexpected changes. Existing refinement…

Computer Vision and Pattern Recognition · Computer Science 2026-05-11 Zitong Xu , Huiyu Duan , Yifei Nie , Mingda Du , Sijing Wu , Xiongkuo Min , Tianyi Zheng , Jian Zhang , Shusong Xu , Jinwei Chen , Bo Li , Guangtao Zhai

Rare diseases represent the long tail of medical imaging, where AI models often fail due to the scarcity of representative training data. In clinical workflows, radiologists frequently consult case reports and literature when confronted…

Computation and Language · Computer Science 2025-11-10 Ha Young Kim , Jun Li , Ana Beatriz Solana , Carolin M. Pirkl , Benedikt Wiestler , Julia A. Schnabel , Cosmin I. Bercea

Deep learning has shown great potential in accelerating diffusion tensor imaging (DTI). Nevertheless, existing methods tend to suffer from Rician noise and eddy current, leading to detail loss in reconstructing the DTI-derived parametric…

Image and Video Processing · Electrical Eng. & Systems 2024-08-21 Wenxin Fan , Jian Cheng , Cheng Li , Jing Yang , Ruoyou Wu , Juan Zou , Shanshan Wang

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
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