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Accurately predicting 3D structures and dynamics of physical systems is crucial in scientific applications. Existing approaches that rely on geometric Graph Neural Networks (GNNs) effectively enforce $\mathrm{E}(3)$-equivariance, but they…

Machine Learning · Computer Science 2025-02-20 Zongzhao Li , Jiacheng Cen , Bing Su , Wenbing Huang , Tingyang Xu , Yu Rong , Deli Zhao

Large language models (LLMs) are trained on massive datasets that may include private or copyrighted content. Due to growing privacy and ownership concerns, data owners may request the removal of their data from trained models. Machine…

Machine Learning · Computer Science 2026-01-13 Zhihao Liu , Jian Lou , Yuke Hu , Xiaochen Li , Yitian Chen , Tailun Chen , Zhizhen Qin , Kui Ren , Zhan Qin

Entity alignment (EA) aims to identify entities across different knowledge graphs (KGs) that refer to the same real-world object and plays a critical role in knowledge fusion and integration. Traditional EA methods mainly rely on knowledge…

Information Retrieval · Computer Science 2026-04-14 Yixuan Nan , Xixun Lin , Yanmin Shang , Ge Zhang , Zheng Fang , Fang Fang , Yanan Cao

Large language models (LLMs) deployed in user-facing applications require long-horizon consistency: the ability to remember prior interactions, respect user preferences, and ground reasoning in past events. However, contemporary memory…

Multiagent Systems · Computer Science 2026-02-04 Daivik Patel , Shrenik Patel

Although Multimodal Large Language Models (MLLMs) have demonstrated remarkable capabilities across diverse tasks, they encounter challenges in terms of reasoning efficiency, large model size and overthinking. However, existing lightweight…

Artificial Intelligence · Computer Science 2025-11-21 Qixiang Yin , Huanjin Yao , Jianghao Chen , Jiaxing Huang , Zhicheng Zhao , Fei Su

Question Answering over Knowledge Graph (KGQA) aims to seek answer entities for the natural language question from a large-scale Knowledge Graph~(KG). To better perform reasoning on KG, recent work typically adopts a pre-trained language…

Computation and Language · Computer Science 2024-01-02 Jinhao Jiang , Kun Zhou , Wayne Xin Zhao , Yaliang Li , Ji-Rong Wen

Generating grounded and trustworthy responses remains a key challenge for large language models (LLMs). While retrieval-augmented generation (RAG) with citation-based grounding holds promise, instruction-tuned models frequently fail even in…

Computation and Language · Computer Science 2025-06-19 Shang Hong Sim , Tej Deep Pala , Vernon Toh , Hai Leong Chieu , Amir Zadeh , Chuan Li , Navonil Majumder , Soujanya Poria

The ability to organically reason over and with both text and images is a pillar of human intelligence, yet the ability of Multimodal Large Language Models (MLLMs) to perform such multimodal reasoning remains under-explored. Existing…

Computer Vision and Pattern Recognition · Computer Science 2025-01-10 Yunzhuo Hao , Jiawei Gu , Huichen Will Wang , Linjie Li , Zhengyuan Yang , Lijuan Wang , Yu Cheng

Generating long, coherent text remains a challenge for large language models (LLMs), as they lack hierarchical planning and structured organization in discourse generation. We introduce Structural Alignment, a novel method that aligns LLMs…

Computation and Language · Computer Science 2026-02-04 Zae Myung Kim , Anand Ramachandran , Farideh Tavazoee , Joo-Kyung Kim , Oleg Rokhlenko , Dongyeop Kang

Large language models (LLMs) are increasingly applied to clinical decision-making. However, their potential to exhibit bias poses significant risks to clinical equity. Currently, there is a lack of benchmarks that systematically evaluate…

Computation and Language · Computer Science 2024-11-18 Yubo Zhang , Shudi Hou , Mingyu Derek Ma , Wei Wang , Muhao Chen , Jieyu Zhao

Large reasoning models have demonstrated remarkable performance on complex reasoning tasks, yet the excessive length of their chain-of-thought outputs remains a major practical bottleneck due to high computation cost and poor deployability.…

Computation and Language · Computer Science 2025-11-25 Hourun Zhu , Yang Gao , Wenlong Fei , Jiawei Li , Huashan Sun

Multimodal large language models (MLLMs) have demonstrated impressive reasoning and instruction-following capabilities, yet their expanded modality space introduces new compositional safety risks that emerge from complex text-image…

Cryptography and Security · Computer Science 2025-11-18 Xuankun Rong , Wenke Huang , Tingfeng Wang , Daiguo Zhou , Bo Du , Mang Ye

Text-image alignment constitutes a foundational challenge in multimedia content understanding, where effective modeling of cross-modal semantic correspondences critically enhances retrieval system performance through joint embedding space…

Computer Vision and Pattern Recognition · Computer Science 2025-10-16 Rongjun Chen , Chengsi Yao , Jinchang Ren , Xianxian Zeng , Peixian Wang , Jun Yuan , Jiawen Li , Huimin Zhao , Xu Lu

Large language models (LLMs) have shown impressive capabilities, but still struggle with complex reasoning tasks requiring multiple steps. While prompt-based methods like Chain-of-Thought (CoT) can improve LLM reasoning at inference time,…

Artificial Intelligence · Computer Science 2024-11-25 Haolin Chen , Yihao Feng , Zuxin Liu , Weiran Yao , Akshara Prabhakar , Shelby Heinecke , Ricky Ho , Phil Mui , Silvio Savarese , Caiming Xiong , Huan Wang

The emergence of Multimodal Large Language Models (MLLMs) has propelled the development of autonomous agents that operate on Graphical User Interfaces (GUIs) using pure visual input. A fundamental challenge is robustly grounding natural…

How large language models (LLMs) align with the neural representation and computation of human language is a central question in cognitive science. Using representational geometry as a mechanistic lens, we addressed this by tracking…

Neurons and Cognition · Quantitative Biology 2026-02-10 Yixuan Liu , Zhiyuan Ma , Likai Tang , Runmin Gan , Xinche Zhang , Jinhao Li , Chao Xie , Sen Song

Large language models (LLMs) have demonstrated impressive capabilities in various reasoning tasks, aided by techniques like chain-of-thought prompting that elicits verbalized reasoning. However, LLMs often generate text with obvious…

Artificial Intelligence · Computer Science 2024-12-06 Zhihui Xie , Jizhou Guo , Tong Yu , Shuai Li

Reasoning large language models (LLMs) excel in complex tasks, which has drawn significant attention to reinforcement learning (RL) for LLMs. However, existing approaches allocate an equal number of rollouts to all questions during the RL…

Machine Learning · Computer Science 2025-10-21 Mengqi Liao , Xiangyu Xi , Ruinian Chen , Jia Leng , Yangen Hu , Ke Zeng , Shuai Liu , Huaiyu Wan

We propose cognitive prompting as a novel approach to guide problem-solving in large language models (LLMs) through structured, human-like cognitive operations, such as goal clarification, decomposition, filtering, abstraction, and pattern…

Computation and Language · Computer Science 2024-12-03 Oliver Kramer , Jill Baumann

Scaling test-time computation with reinforcement learning (RL) has emerged as a reliable path to improve large language models (LLM) reasoning ability. Yet, outcome-based reward often incentivizes models to be overconfident, leading to…

Machine Learning · Computer Science 2026-04-28 Liaoyaqi Wang , Chunsheng Zuo , William Jurayj , Benjamin Van Durme , Anqi Liu