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Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the…

Machine Learning · Computer Science 2024-08-20 Tianyu Zhang , Yuxiang Ren , Chengbin Hou , Hairong Lv , Xuegong Zhang

Long-sequence decision-making, which is usually addressed through reinforcement learning (RL), is a critical component for optimizing strategic operations in dynamic environments, such as real-time bidding in computational advertising. The…

Artificial Intelligence · Computer Science 2026-01-16 Xiaowei Lv , Zhilin Zhang , Yijun Li , Yusen Huo , Siyuan Ju , Xuyan Li , Chunxiang Hong , Tianyu Wang , Yongcai Wang , Peng Sun , Chuan Yu , Jian Xu , Bo Zheng

Relevance modeling between queries and items stands as a pivotal component in commercial search engines, directly affecting the user experience. Given the remarkable achievements of large language models (LLMs) in various natural language…

Artificial Intelligence · Computer Science 2025-02-19 Kaixin Wu , Yixin Ji , Zeyuan Chen , Qiang Wang , Cunxiang Wang , Hong Liu , Baijun Ji , Jia Xu , Zhongyi Liu , Jinjie Gu , Yuan Zhou , Linjian Mo

While diffusion Multimodal Large Language Models (dMLLMs) have recently achieved remarkable strides in multimodal generation, the development of interpretability mechanisms has lagged behind their architectural evolution. Unlike traditional…

Artificial Intelligence · Computer Science 2026-04-14 Haomin Zuo , Yidi Li , Luoxiao Yang , Xiaofeng Zhang

The Web is a rich source of structured data in the form of tables, from product catalogs and knowledge bases to scientific datasets. However, the heterogeneity of the structure and semantics of these tables makes it challenging to build a…

Computation and Language · Computer Science 2026-02-19 Inwon Kang , Parikshit Ram , Yi Zhou , Horst Samulowitz , Oshani Seneviratne

Current video understanding models excel at recognizing "what" is happening but fall short in high-level cognitive tasks like causal reasoning and future prediction, a limitation rooted in their lack of commonsense world knowledge. To…

Computer Vision and Pattern Recognition · Computer Science 2025-12-30 L'ea Dubois , Klaus Schmidt , Chengyu Wang , Ji-Hoon Park , Lin Wang , Santiago Munoz

Recent large language models (LLMs) have advanced table understanding capabilities but rely on converting tables into text sequences. While multimodal large language models (MLLMs) enable direct visual processing, they face limitations in…

Computation and Language · Computer Science 2025-02-26 Bohao Yang , Yingji Zhang , Dong Liu , André Freitas , Chenghua Lin

Recent advances in multimodal large language models (LLMs) have enabled unified reasoning across images, audio, and video, but extending such capability to brain imaging remains largely unexplored. Bridging this gap is essential to link…

Computation and Language · Computer Science 2026-05-15 Yuxiang Wei , Yanteng Zhang , Xi Xiao , Chengxuan Qian , Tianyang Wang , Vince D. Calhoun

Human language is grounded on multimodal knowledge including visual knowledge like colors, sizes, and shapes. However, current large-scale pre-trained language models rely on text-only self-supervised training with massive text data, which…

Computation and Language · Computer Science 2023-02-28 Weizhi Wang , Li Dong , Hao Cheng , Haoyu Song , Xiaodong Liu , Xifeng Yan , Jianfeng Gao , Furu Wei

Pretrained language models (PLMs) have produced substantial improvements in discourse-aware neural machine translation (NMT), for example, improved coherence in spoken language translation. However, the underlying reasons for their strong…

Computation and Language · Computer Science 2023-06-01 Zhihong Huang , Longyue Wang , Siyou Liu , Derek F. Wong

Generative artificial intelligence (AI) systems based on large-scale pretrained foundation models (PFMs) such as vision-language models, large language models (LLMs), diffusion models and vision-language-action (VLA) models have…

Artificial Intelligence · Computer Science 2025-01-07 Alhassan Mumuni , Fuseini Mumuni

General-purpose large language models (LLMs) that rely on in-context learning do not reliably deliver the scientific understanding and performance required for drug discovery tasks. Simply increasing model size or introducing reasoning…

Language is essentially a complex, intricate system of human expressions governed by grammatical rules. It poses a significant challenge to develop capable AI algorithms for comprehending and grasping a language. As a major approach,…

Recent efforts leverage Large Language Models (LLMs) for modeling text-attributed graph structures in node classification tasks. These approaches describe graph structures for LLMs to understand or aggregate LLM-generated textual attribute…

Computation and Language · Computer Science 2025-05-27 Huachi Zhou , Jiahe Du , Chuang Zhou , Chang Yang , Yilin Xiao , Yuxuan Xie , Xiao Huang

To perform effective causal inference in high-dimensional datasets, initiating the process with causal discovery is imperative, wherein a causal graph is generated based on observational data. However, obtaining a complete and accurate…

Machine Learning · Computer Science 2025-04-18 Elahe Khatibi , Mahyar Abbasian , Zhongqi Yang , Iman Azimi , Amir M. Rahmani

Causal structure discovery from observations can be improved by integrating background knowledge provided by an expert to reduce the hypothesis space. Recently, Large Language Models (LLMs) have begun to be considered as sources of prior…

Machine Learning · Computer Science 2024-05-24 Victor-Alexandru Darvariu , Stephen Hailes , Mirco Musolesi

While many have shown how Large Language Models (LLMs) can be applied to a diverse set of tasks, the critical issues of data contamination and memorization are often glossed over. In this work, we address this concern for tabular data.…

Machine Learning · Computer Science 2024-03-12 Sebastian Bordt , Harsha Nori , Rich Caruana

Cell identity encompasses various semantic aspects of a cell, including cell type, pathway information, disease information, and more, which are essential for biologists to gain insights into its biological characteristics. Understanding…

Genomics · Quantitative Biology 2024-06-12 Suyuan Zhao , Jiahuan Zhang , Yushuai Wu , Yizhen Luo , Zaiqing Nie

Table Structure Recognition (TSR) requires the logical reasoning ability of large language models (LLMs) to handle complex table layouts, but current datasets are limited in scale and quality, hindering effective use of this reasoning…

Databases · Computer Science 2026-04-16 Ruilin Zhang , Kai Yang

Data attribution methods quantify the influence of training data on model outputs and are becoming increasingly relevant for a wide range of LLM research and applications, including dataset curation, model interpretability, data valuation.…

Computation and Language · Computer Science 2025-10-28 Cathy Jiao , Yijun Pan , Emily Xiao , Daisy Sheng , Niket Jain , Hanzhang Zhao , Ishita Dasgupta , Jiaqi W. Ma , Chenyan Xiong
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