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Scientific equation discovery is a fundamental task in the history of scientific progress, enabling the derivation of laws governing natural phenomena. Recently, Large Language Models (LLMs) have gained interest for this task due to their…

Computation and Language · Computer Science 2025-06-10 Parshin Shojaee , Ngoc-Hieu Nguyen , Kazem Meidani , Amir Barati Farimani , Khoa D Doan , Chandan K Reddy

Chemical synthesis, as a foundational methodology in the creation of transformative molecules, exerts substantial influence across diverse sectors from life sciences to materials and energy. Current chemical synthesis practices emphasize…

Multimodal Large Language Models (MLLMs) are gaining increasing popularity in both academia and industry due to their remarkable performance in various applications such as visual question answering, visual perception, understanding, and…

Computation and Language · Computer Science 2024-09-09 Jian Li , Weiheng Lu , Hao Fei , Meng Luo , Ming Dai , Min Xia , Yizhang Jin , Zhenye Gan , Ding Qi , Chaoyou Fu , Ying Tai , Wankou Yang , Yabiao Wang , Chengjie Wang

Large language models (LLMs) exhibit advancing capabilities in complex tasks, such as reasoning and graduate-level question answering, yet their resilience against misuse, particularly involving scientifically sophisticated risks, remains…

With the increasing use of large language models (LLMs), ensuring reliable performance in diverse, real-world environments is essential. Despite their remarkable achievements, LLMs often struggle with adversarial inputs, significantly…

Computation and Language · Computer Science 2024-06-18 Yuqing Wang , Yun Zhao

While large language models (LLMs) hold transformative potential for medicine, their reasoning robustness and safety in real-world clinical scenarios remain critically underexplored, particularly in dentistry. Here we introduce…

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

Large language models (LLM) have achieved impressive progress across a broad range of general-purpose tasks, but their effectiveness in chemistry remains limited due to scarce domain-specific datasets and the demand for precise symbolic and…

Reasoning stands as a cornerstone of intelligence, enabling the synthesis of existing knowledge to solve complex problems. Despite remarkable progress, existing reasoning benchmarks often fail to rigorously evaluate the nuanced reasoning…

The paper introduces a framework for the evaluation of the encoding of factual scientific knowledge, designed to streamline the manual evaluation process typically conducted by domain experts. Inferring over and extracting information from…

Computation and Language · Computer Science 2024-10-21 Magdalena Wysocka , Oskar Wysocki , Maxime Delmas , Vincent Mutel , Andre Freitas

Recent advancements in large language models (LLMs) have demonstrated strong potential for enabling domain-specific intelligence. In this work, we present our vision for building an AI-powered chemical brain, which frames chemical…

Artificial Intelligence · Computer Science 2026-01-12 Weichen Dai , Yezeng Chen , Zijie Dai , Yubo Liu , Zhijie Huang , Yixuan Pan , Baiyang Song , Chengli Zhong , Xinhe Li , Zeyu Wang , Zhuoying Feng , Yi Zhou

Large language models (LLMs) excel at natural language tasks but remain brittle in domains requiring precise logical and symbolic reasoning. Chaotic dynamical systems provide an especially demanding test because chaos is deterministic yet…

Artificial Intelligence · Computer Science 2026-02-13 Noel Thomas

Visual reasoning is central to human cognition, enabling individuals to interpret and abstractly understand their environment. Although recent Multimodal Large Language Models (MLLMs) have demonstrated impressive performance across language…

Computer Vision and Pattern Recognition · Computer Science 2025-03-17 Jing Bi , Junjia Guo , Susan Liang , Guangyu Sun , Luchuan Song , Yunlong Tang , Jinxi He , Jiarui Wu , Ali Vosoughi , Chen Chen , Chenliang Xu

Scientific discovery is an inherently creative and uncertain process, requiring reasoning beyond the recall of known knowledge. While many benchmarks have been proposed to evaluate large language model (LLM) performance on deep research…

Artificial Intelligence · Computer Science 2026-05-29 A. J. Lew , Y. Cao , M. J. Buehler

As large language models (LLMs) become increasingly integrated into clinical decision-making, ensuring transparent and trustworthy reasoning is essential. However, existing evaluation strategies of LLMs' medical reasoning capability either…

Logical reasoning consistently plays a fundamental and significant role in the domains of knowledge engineering and artificial intelligence. Recently, Large Language Models (LLMs) have emerged as a noteworthy innovation in natural language…

Computation and Language · Computer Science 2024-09-17 Fangzhi Xu , Qika Lin , Jiawei Han , Tianzhe Zhao , Jun Liu , Erik Cambria

Large language models (LLMs), a recent advance in deep learning and machine intelligence, have manifested astonishing capacities, now considered among the most promising for artificial general intelligence. With human-like capabilities,…

Artificial Intelligence · Computer Science 2025-09-19 Zhilun Zhou , Jing Yi Wang , Nicholas Sukiennik , Chen Gao , Fengli Xu , Yong Li , James Evans

Scientific discovery plays a pivotal role in advancing human society, and recent progress in large language models (LLMs) suggests their potential to accelerate this process. However, it remains unclear whether LLMs can autonomously…

Computation and Language · Computer Science 2025-10-28 Zonglin Yang , Wanhao Liu , Ben Gao , Tong Xie , Yuqiang Li , Wanli Ouyang , Soujanya Poria , Erik Cambria , Dongzhan Zhou

Evaluating progress in large language models (LLMs) is often constrained by the challenge of verifying responses, limiting assessments to tasks like mathematics, programming, and short-form question-answering. However, many real-world…

Computation and Language · Computer Science 2026-05-19 Zhilin Wang , Jaehun Jung , Ximing Lu , Shizhe Diao , Ellie Evans , Jiaqi Zeng , Pavlo Molchanov , Yejin Choi , Jan Kautz , Yi Dong

Large Language Models (LLMs), through their contextualized representations, have been empirically proven to encapsulate syntactic, semantic, word sense, and common-sense knowledge. However, there has been limited exploration of their…

Computation and Language · Computer Science 2023-10-12 Yi Ru Wang , Jiafei Duan , Dieter Fox , Siddhartha Srinivasa
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