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Heterogeneous graph learning aims to capture complex relationships and diverse relational semantics among entities in a heterogeneous graph to obtain meaningful representations for nodes and edges. Recent advancements in heterogeneous graph…

Computation and Language · Computer Science 2024-05-21 Jiabin Tang , Yuhao Yang , Wei Wei , Lei Shi , Long Xia , Dawei Yin , Chao Huang

Large language models (LLMs) have been used in many zero-shot learning problems, with their strong generalization ability. Recently, adopting LLMs in text-attributed graphs (TAGs) has drawn increasing attention. However, the adoption of…

Machine Learning · Computer Science 2025-10-03 Yusheng Zhao , Qixin Zhang , Xiao Luo , Weizhi Zhang , Zhiping Xiao , Wei Ju , Philip S. Yu , Ming Zhang

Graph Neural Networks (GNNs) have been widely employed for feature representation learning in molecular graphs. Therefore, it is crucial to enhance the expressiveness of feature representation to ensure the effectiveness of GNNs. However, a…

Machine Learning · Computer Science 2024-09-16 Chengyu Yao , Hong Huang , Hang Gao , Fengge Wu , Haiming Chen , Junsuo Zhao

Recent works have shown that Large Language Models (LLMs) can facilitate the grounding of instructions for robotic task planning. Despite this progress, most existing works have primarily focused on utilizing raw images to aid LLMs in…

Robotics · Computer Science 2024-03-12 Zhe Ni , Xiaoxin Deng , Cong Tai , Xinyue Zhu , Qinghongbing Xie , Weihang Huang , Xiang Wu , Long Zeng

Instruction tuning, a new learning paradigm that fine-tunes pre-trained language models on tasks specified through instructions, has shown promising zero-shot performance on various natural language processing tasks. However, it has yet to…

Computation and Language · Computer Science 2023-06-13 Zhiyang Xu , Ying Shen , Lifu Huang

Recently, text-to-molecule models have shown great potential across various chemical applications, e.g., drug-discovery. These models adapt language models to molecular data by representing molecules as sequences of atoms. However, they…

Computation and Language · Computer Science 2025-09-18 Seojin Kim , Hyeontae Song , Jaehyun Nam , Jinwoo Shin

Graph Machine Learning (GML) is receiving growing interest within the pharmaceutical and biotechnology industries for its ability to model biomolecular structures, the functional relationships between them, and integrate multi-omic datasets…

Effective molecular representation learning is of great importance to facilitate molecular property prediction, which is a fundamental task for the drug and material industry. Recent advances in graph neural networks (GNNs) have shown great…

Machine Learning · Computer Science 2022-05-17 Xiaomin Fang , Lihang Liu , Jieqiong Lei , Donglong He , Shanzhuo Zhang , Jingbo Zhou , Fan Wang , Hua Wu , Haifeng Wang

Parameter-efficient fine-tuning (PEFT) using labeled task data can significantly improve the performance of large language models (LLMs) on the downstream task. However, there are 7000 languages in the world and many of these languages lack…

Computation and Language · Computer Science 2024-10-14 Alexandra Chronopoulou , Jonas Pfeiffer , Joshua Maynez , Xinyi Wang , Sebastian Ruder , Priyanka Agrawal

Common Deep Metric Learning (DML) datasets specify only one notion of similarity, e.g., two images in the Cars196 dataset are deemed similar if they show the same car model. We argue that depending on the application, users of image…

Computer Vision and Pattern Recognition · Computer Science 2022-11-24 Konstantin Kobs , Michael Steininger , Andreas Hotho

Large Language Models (LLMs) with their strong task-handling capabilities have shown remarkable advancements across a spectrum of fields, moving beyond natural language understanding. However, their proficiency within the chemistry domain…

Computer Vision and Pattern Recognition · Computer Science 2026-02-02 Khiem Le , Zhichun Guo , Kaiwen Dong , Xiaobao Huang , Bozhao Nan , Roshni Iyer , Xiangliang Zhang , Olaf Wiest , Wei Wang , Ting Hua , Nitesh V. Chawla

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose…

Machine Learning · Computer Science 2025-08-05 Qian Tan , Dongzhan Zhou , Peng Xia , Wanhao Liu , Wanli Ouyang , Lei Bai , Yuqiang Li , Tianfan Fu

The limited availability of annotations in small molecule datasets presents a challenge to machine learning models. To address this, one common strategy is to collaborate with additional auxiliary datasets. However, having more data does…

Biomolecules · Quantitative Biology 2023-11-10 Tinglin Huang , Ziniu Hu , Rex Ying

Text-Attributed Graphs (TAGs) are graphs of connected textual documents. Graph models can efficiently learn TAGs, but their training heavily relies on human-annotated labels, which are scarce or even unavailable in many applications. Large…

Computation and Language · Computer Science 2024-08-07 Bo Pan , Zheng Zhang , Yifei Zhang , Yuntong Hu , Liang Zhao

Large Language Models (LLMs) have made great strides in areas such as language processing and computer vision. Despite the emergence of diverse techniques to improve few-shot learning capacity, current LLMs fall short in handling the…

Biomolecules · Quantitative Biology 2024-05-14 Xianggen Liu , Yan Guo , Haoran Li , Jin Liu , Shudong Huang , Bowen Ke , Jiancheng Lv

Discrete structure rules for validating molecular structures are usually limited to fulfillment of the octet rule or similar simple deterministic heuristics. We propose a model, inspired by language modeling from natural language…

Prevailing methods for graphs require abundant label and edge information for learning. When data for a new task are scarce, meta-learning can learn from prior experiences and form much-needed inductive biases for fast adaption to new…

Machine Learning · Computer Science 2021-01-12 Kexin Huang , Marinka Zitnik

With the rapid advancement of image generation, visual text editing using natural language instructions has received increasing attention. The main challenge of this task is to fully understand the instruction and reference image, and thus…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Lichen Ma , Xiaolong Fu , Gaojing Zhou , Zipeng Guo , Ting Zhu , Yichun Liu , Yu Shi , Jason Li , Junshi Huang

The emergence of large language models (LLMs) has revolutionized the way we interact with graphs, leading to a new paradigm called GraphLLM. Despite the rapid development of GraphLLM methods in recent years, the progress and understanding…

Machine Learning · Computer Science 2024-10-30 Yuhan Li , Peisong Wang , Xiao Zhu , Aochuan Chen , Haiyun Jiang , Deng Cai , Victor Wai Kin Chan , Jia Li

Vision-language models (VLMs) have demonstrated remarkable zero-shot performance across various classification tasks. Nonetheless, their reliance on hand-crafted text prompts for each task hinders efficient adaptation to new tasks. While…

Computer Vision and Pattern Recognition · Computer Science 2026-03-11 Hoyoung Kim , Seokhee Jin , Changhwan Sung , Jaechang Kim , Jungseul Ok