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Large language models (LLMs) are increasingly applied to materials science. However, the relationship between prediction accuracy, input representation, and model scale remains unclear, and reliable methods for assessing prediction…

材料科学 · 物理学 2026-05-06 Shuichiro Ozawa , Izumi Takahara , Teruyasu Mizoguchi

Multimodal large language models (MLLMs) have made significant progress in integrating visual and linguistic understanding. Existing benchmarks typically focus on high-level semantic capabilities, such as scene understanding and visual…

计算与语言 · 计算机科学 2025-02-18 Shangyu Xing , Changhao Xiang , Yuteng Han , Yifan Yue , Zhen Wu , Xinyu Liu , Zhangtai Wu , Fei Zhao , Xinyu Dai

Recent work exploring the capabilities of pre-trained large language models (LLMs) has demonstrated their ability to act as general pattern machines by completing complex token sequences representing a wide array of tasks, including…

计算机与社会 · 计算机科学 2024-03-25 Seyed Parsa Neshaei , Richard Lee Davis , Adam Hazimeh , Bojan Lazarevski , Pierre Dillenbourg , Tanja Käser

Recently, the remarkable capabilities of large language models (LLMs) have been illustrated across a variety of research domains such as natural language processing, computer vision, and molecular modeling. We extend this paradigm by…

机器学习 · 计算机科学 2023-09-04 Hongshuo Huang , Rishikesh Magar , Changwen Xu , Amir Barati Farimani

Large Language Models (LLMs) are being applied in a wide array of settings, well beyond the typical language-oriented use cases. In particular, LLMs are increasingly used as a plug-and-play method for fitting data and generating…

机器学习 · 计算机科学 2025-10-29 Hejia Liu , Mochen Yang , Gediminas Adomavicius

Large language models (LLMs) have shown remarkable proficiency in human-level reasoning and generation capabilities, which encourages extensive research on their application in mathematical problem solving. However, current work has been…

计算与语言 · 计算机科学 2025-08-21 Jiahui Gao , Renjie Pi , Jipeng Zhang , Jiacheng Ye , Wanjun Zhong , Yufei Wang , Lanqing Hong , Jianhua Han , Hang Xu , Zhenguo Li , Lingpeng Kong

The impressive linguistic abilities of large language models (LLMs) have recommended them as models of human sentence processing, with some conjecturing a positive 'quality-power' relationship (Wilcox et al., 2023), in which language…

计算与语言 · 计算机科学 2025-05-20 Yi-Chien Lin , Hongao Zhu , William Schuler

Tabular machine learning problems often require time-consuming and labor-intensive feature engineering. Recent efforts have focused on using large language models (LLMs) to capitalize on their potential domain knowledge. At the same time,…

机器学习 · 计算机科学 2025-07-16 Jaris Küken , Lennart Purucker , Frank Hutter

Large Vision Language Models (LVLMs) excel in various vision-language tasks. Yet, their robustness to visual variations in position, scale, orientation, and context that objects in natural scenes inevitably exhibit due to changes in…

计算机视觉与模式识别 · 计算机科学 2025-06-03 Zhiyuan Fan , Yumeng Wang , Sandeep Polisetty , Yi R. Fung

Large Language Models (LLMs) demonstrate ever-increasing abilities in mathematical and algorithmic tasks, yet their geometric reasoning skills are underexplored. We investigate LLMs' abilities in constructive geometric problem-solving one…

计算与语言 · 计算机科学 2024-09-23 Spyridon Mouselinos , Henryk Michalewski , Mateusz Malinowski

Materials design often relies on human-generated hypotheses, a process inherently limited by cognitive constraints such as knowledge gaps and limited ability to integrate and extract knowledge implications, particularly when…

Vision-language models (VLMs) have advanced rapidly, but their ability to capture spatial relationships remains a blindspot. Current VLMs are typically built with contrastive language-image pretraining (CLIP) style image encoders. The…

Artificial Intelligence models have demonstrated significant success in diagnosing skin diseases, including cancer, showing the potential to assist clinicians in their analysis. However, the interpretability of model predictions must be…

计算机视觉与模式识别 · 计算机科学 2025-08-29 Max Torop , Masih Eskandar , Nicholas Kurtansky , Jinyang Liu , Jochen Weber , Octavia Camps , Veronica Rotemberg , Jennifer Dy , Kivanc Kose

Atomistic materials modeling is a critical task with wide-ranging applications, from drug discovery to materials science, where accurate predictions of the target material property can lead to significant advancements in scientific…

Large Language Models (LLMs) have delivered impressive results in language understanding, generation, reasoning, and pushes the ability boundary of multimodal models. Transformer models, as the foundation of modern LLMs, offer a strong…

Large Language Models (LLMs) have demonstrated remarkable performance across various natural language processing tasks. Recently, several LLMs-based pipelines have been developed to enhance learning on graphs with text attributes,…

机器学习 · 计算机科学 2024-07-30 Kai Guo , Zewen Liu , Zhikai Chen , Hongzhi Wen , Wei Jin , Jiliang Tang , Yi Chang

Large Vision Language Models (LVLMs) have achieved remarkable performance in various vision-language tasks. However, it is still unclear how accurately LVLMs can perceive visual information in images. In particular, the capability of LVLMs…

计算与语言 · 计算机科学 2025-07-15 Ryo Kamoi , Yusen Zhang , Sarkar Snigdha Sarathi Das , Ranran Haoran Zhang , Rui Zhang

In recent years, large language models (LLMs) have achieved strong performance on benchmark tasks, especially in zero or few-shot settings. However, these benchmarks often do not adequately address the challenges posed in the real-world,…

计算与语言 · 计算机科学 2023-05-29 Rohan Bhambhoria , Lei Chen , Xiaodan Zhu

Large Language Models (LLMs) are often criticized for lacking true "understanding" and the ability to "reason" with their knowledge, being seen merely as autocomplete systems. We believe that this assessment might be missing a nuanced…

人工智能 · 计算机科学 2024-06-18 Venkat Venkatasubramanian

Evaluating multimodal large language models (MLLMs) is fundamentally challenged by the absence of structured, interpretable, and theoretically grounded benchmarks; current heuristically-grouped tasks have vague cognitive targets,…

计算与语言 · 计算机科学 2025-11-14 Shengwu. Xiong , Tianyu. Zou , Cong. Wang , Xuelong Li