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Understanding and continuously refining multimodal molecular knowledge is crucial for advancing biomedicine, chemistry, and materials science. Molecule language models (MoLMs) have become powerful tools in these domains, integrating…

Machine Learning · Computer Science 2025-12-01 Zhenyu Lei , Patrick Soga , Yaochen Zhu , Yinhan He , Yushun Dong , Jundong Li

In the field of chemical structure recognition, the task of converting molecular images into machine-readable data formats such as SMILES string stands as a significant challenge, primarily due to the varied drawing styles and conventions…

Computer Vision and Pattern Recognition · Computer Science 2025-03-12 Yufan Chen , Ching Ting Leung , Yong Huang , Jianwei Sun , Hao Chen , Hanyu Gao

Video-based Large Language Models (Video-LLMs) have witnessed substantial advancements in recent years, propelled by the advancement in multi-modal LLMs. Although these models have demonstrated proficiency in providing the overall…

Computer Vision and Pattern Recognition · Computer Science 2025-04-11 Yangliu Hu , Zikai Song , Na Feng , Yawei Luo , Junqing Yu , Yi-Ping Phoebe Chen , Wei Yang

Reranking is fundamental to information retrieval and retrieval-augmented generation, with recent Large Language Models (LLMs) significantly advancing reranking quality. Most current works rely on large-scale LLMs (>7B parameters),…

Information Retrieval · Computer Science 2026-04-17 Xianming Li , Aamir Shakir , Rui Huang , Tsz-fung Andrew Lee , Julius Lipp , Benjamin Clavié , Jing Li

Post-training alignment is central to deploying large language models (LLMs), yet practical workflows remain split across backend-specific tools and ad-hoc glue code, making experiments hard to reproduce. We identify backend interference,…

Unsupervised adaptation of CLIP-based vision-language models (VLMs) for fine-grained image classification requires sensitivity to microscopic local cues. While CLIP exhibits strong zero-shot transfer, its reliance on coarse global features…

Computer Vision and Pattern Recognition · Computer Science 2025-10-03 Sathira Silva , Eman Ali , Chetan Arora , Muhammad Haris Khan

Concept Bottleneck Models (CBM) map images to human-interpretable concepts before making class predictions. Recent approaches automate CBM construction by prompting Large Language Models (LLMs) to generate text concepts and employing Vision…

Computer Vision and Pattern Recognition · Computer Science 2024-08-27 Nithish Muthuchamy Selvaraj , Xiaobao Guo , Adams Wai-Kin Kong , Alex Kot

Retrosynthesis, the process of breaking down a target molecule into simpler precursors through a series of valid reactions, stands at the core of organic chemistry and drug development. Although recent machine learning (ML) research has…

Artificial Intelligence · Computer Science 2026-05-12 Haorui Wang , Jeff Guo , Lingkai Kong , Rampi Ramprasad , Philippe Schwaller , Yuanqi Du , Chao Zhang

In the era of Large Language Models (LLMs), alignment has emerged as a fundamental yet challenging problem in the pursuit of more reliable, controllable, and capable machine intelligence. The recent success of reasoning models and…

Machine Learning · Computer Science 2025-07-18 Hao Sun , Mihaela van der Schaar

Despite the success of Vision-Language Models (VLMs) like CLIP in aligning vision and language, their proficiency in detailed, fine-grained visual comprehension remains a key challenge. We present CLIP-IN, a novel framework that bolsters…

Computer Vision and Pattern Recognition · Computer Science 2025-11-18 Ziteng Wang , Siqi Yang , Limeng Qiao , Lin Ma

Sign Language Translation (SLT) is a challenging task that aims to translate sign videos into spoken language. Inspired by the strong translation capabilities of large language models (LLMs) that are trained on extensive multilingual text…

Computer Vision and Pattern Recognition · Computer Science 2024-04-02 Jia Gong , Lin Geng Foo , Yixuan He , Hossein Rahmani , Jun Liu

Automated interlinear gloss prediction with neural networks is a promising approach to accelerate language documentation efforts. However, while state-of-the-art models like GlossLM achieve high scores on glossing benchmarks, user studies…

Computation and Language · Computer Science 2026-01-26 Michael Ginn , Lindia Tjuatja , Enora Rice , Ali Marashian , Maria Valentini , Jasmine Xu , Graham Neubig , Alexis Palmer

Large Language Models (LLMs) have demonstrated remarkable capabilities in modeling sequential textual data and generalizing across diverse tasks. However, adapting LLMs to effectively handle structural data, such as knowledge graphs or web…

Computation and Language · Computer Science 2025-11-12 Jiarui Feng , Donghong Cai , Yixin Chen , Muhan Zhang

Recently, large language models (LLMs) have been explored for integration with collaborative filtering (CF)-based recommendation systems, which are crucial for personalizing user experiences. However, a key challenge is that LLMs struggle…

Information Retrieval · Computer Science 2025-10-20 Chao Wang , Yixin Song , Jinhui Ye , Chuan Qin , Dazhong Shen , Lingfeng Liu , Xiang Wang , Yanyong Zhang

This paper addresses the challenge of Granularity Competition in fine-grained classification tasks, which arises due to the semantic gap between multi-granularity labels. Existing approaches typically develop independent hierarchy-aware…

Computer Vision and Pattern Recognition · Computer Science 2024-12-18 Zhiguang Lu , Qianqian Xu , Shilong Bao , Zhiyong Yang , Qingming Huang

Molecular Machine Learning (ML) bears promise for efficient molecule property prediction and drug discovery. However, labeled molecule data can be expensive and time-consuming to acquire. Due to the limited labeled data, it is a great…

Machine Learning · Computer Science 2022-04-01 Yuyang Wang , Jianren Wang , Zhonglin Cao , Amir Barati Farimani

While large language models (LLMs) demonstrate remarkable success in multilingual translation, their internal core translation mechanisms, even at the fundamental word level, remain insufficiently understood. To address this critical gap,…

Computation and Language · Computer Science 2026-01-16 Hongbin Zhang , Kehai Chen , Xuefeng Bai , Xiucheng Li , Yang Xiang , Min Zhang

Large Language Models (LLMs) have achieved impressive performance in text understanding and have become an essential tool for building smart assistants. Originally focusing on text, they have been enhanced with multimodal capabilities in…

Software Engineering · Computer Science 2024-10-24 Aaron Haag , Vlad Argatu , Oliver Lohse

Large Language Models (LLMs) have achieved remarkable success in many formal language oriented tasks, such as structural data-to-text and semantic parsing. However current benchmarks mostly follow the data distribution of the pre-training…

Computation and Language · Computer Science 2023-11-14 Chengwen Qi , Bowen Li , Binyuan Hui , Bailin Wang , Jinyang Li , Jinwang Wu , Yuanjun Laili

In-context learning (ICL) has proven to be a significant capability with the advancement of Large Language models (LLMs). By instructing LLMs using few-shot demonstrative examples, ICL enables them to perform a wide range of tasks without…

Computation and Language · Computer Science 2024-08-21 Quanyu Long , Jianda Chen , Wenya Wang , Sinno Jialin Pan