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Inspired by the remarkable success of foundation models in language and vision, Graph Foundation Models (GFMs) hold significant promise for broad applicability across diverse graph tasks and domains. However, existing GFMs struggle with…

Machine Learning · Computer Science 2025-11-11 Haonan Yuan , Qingyun Sun , Junhua Shi , Xingcheng Fu , Bryan Hooi , Jianxin Li , Philip S. Yu

Graph neural networks have been extensively studied for learning with inter-connected data. Despite this, recent evidence has revealed GNNs' deficiencies related to over-squashing, heterophily, handling long-range dependencies, edge…

Machine Learning · Computer Science 2023-06-16 Qitian Wu , Wentao Zhao , Zenan Li , David Wipf , Junchi Yan

Mesh is a fundamental representation of 3D assets in various industrial applications, and is widely supported by professional softwares. However, due to its irregular structure, mesh creation and manipulation is often time-consuming and…

Computer Vision and Pattern Recognition · Computer Science 2024-03-19 Zhaoyang Lyu , Ben Fei , Jinyi Wang , Xudong Xu , Ya Zhang , Weidong Yang , Bo Dai

Generative deep learning has become pivotal in molecular design for drug discovery, materials science, and chemical engineering. A widely used paradigm is to pretrain neural networks on string representations of molecules and fine-tune them…

Machine Learning · Computer Science 2025-03-21 Jonathan Pirnay , Jan G. Rittig , Alexander B. Wolf , Martin Grohe , Jakob Burger , Alexander Mitsos , Dominik G. Grimm

Cytopathology report generation is a necessary step for the standardized examination of pathology images. However, manually writing detailed reports brings heavy workloads for pathologists. To improve efficiency, some existing works have…

Computer Vision and Pattern Recognition · Computer Science 2023-03-20 Yang-Fan Zhou , Kai-Lang Yao , Wu-Jun Li

Deep generative models have achieved remarkable success in various data domains, including images, time series, and natural languages. There remain, however, substantial challenges for combinatorial structures, including graphs. One of the…

Machine Learning · Computer Science 2018-09-21 Tengfei Ma , Jie Chen , Cao Xiao

Latent variable generative models have emerged as powerful tools for generative tasks including image and video synthesis. These models are enabled by pretrained autoencoders that map high resolution data into a compressed lower dimensional…

Computer Vision and Pattern Recognition · Computer Science 2025-06-13 Mohammed Suhail , Carlos Esteves , Leonid Sigal , Ameesh Makadia

Controllable layout generation aims to create plausible visual arrangements of element bounding boxes within a graphic design according to certain optional constraints, such as the type or position of a specific component. While recent…

Computer Vision and Pattern Recognition · Computer Science 2025-06-04 Yuxuan Wu , Le Wang , Sanping Zhou , Mengnan Liu , Gang Hua , Haoxiang Li

Predictive modelling represents an emerging field that combines existing and novel methodologies aimed to rapidly understand physical mechanisms and concurrently develop new materials, processes and structures. In the current study,…

Transformer-based models trained on large and general purpose datasets consisting of molecular strings have recently emerged as a powerful tool for successfully modeling various structure-property relations. Inspired by this success, we…

Biomolecules · Quantitative Biology 2025-04-02 Jerret Ross , Brian Belgodere , Samuel C. Hoffman , Vijil Chenthamarakshan , Jiri Navratil , Youssef Mroueh , Payel Das

Traditional vision-based material perception methods often experience substantial performance degradation under visually impaired conditions, thereby motivating the shift toward non-visual multimodal material perception. Despite this,…

Machine Learning · Computer Science 2025-11-26 Kailin Lyu , Long Xiao , Jianing Zeng , Junhao Dong , Xuexin Liu , Zhuojun Zou , Haoyue Yang , Lin Shu , Jie Hao

Self-supervised neural language models have recently found wide applications in generative design of organic molecules and protein sequences as well as representation learning for downstream structure classification and functional…

Materials Science · Physics 2022-09-21 Lai Wei , Nihang Fu , Yuqi Song , Qian Wang , Jianjun Hu

Deep generative models for graphs have exhibited promising performance in ever-increasing domains such as design of molecules (i.e, graph of atoms) and structure prediction of proteins (i.e., graph of amino acids). Existing work typically…

Machine Learning · Computer Science 2021-01-21 Wenbin Zhang , Liming Zhang , Dieter Pfoser , Liang Zhao

This study investigates human-computer interface generation based on diffusion models to overcome the limitations of traditional template-based design and fixed rule-driven methods. It first analyzes the key challenges of interface…

Human-Computer Interaction · Computer Science 2026-01-13 Rui Liu , Liuqingqing Yang , Runsheng Zhang , Shixiao Wang

Graphs are ubiquitous data structures for representing interactions between entities. With an emphasis on the use of graphs to represent chemical molecules, we explore the task of learning to generate graphs that conform to a distribution…

Machine Learning · Computer Science 2019-03-08 Qi Liu , Miltiadis Allamanis , Marc Brockschmidt , Alexander L. Gaunt

We present DiffCollage, a compositional diffusion model that can generate large content by leveraging diffusion models trained on generating pieces of the large content. Our approach is based on a factor graph representation where each…

Computer Vision and Pattern Recognition · Computer Science 2023-03-31 Qinsheng Zhang , Jiaming Song , Xun Huang , Yongxin Chen , Ming-Yu Liu

Generative models that can model and predict sequences of future events can, in principle, learn to capture complex real-world phenomena, such as physical interactions. However, a central challenge in video prediction is that the future is…

Computer Vision and Pattern Recognition · Computer Science 2020-02-13 Manoj Kumar , Mohammad Babaeizadeh , Dumitru Erhan , Chelsea Finn , Sergey Levine , Laurent Dinh , Durk Kingma

Heterogeneous hardware like Gaudi processor has been developed to enhance computations, especially matrix operations for Transformer-based large language models (LLMs) for generative AI tasks. However, our analysis indicates that…

Hardware Architecture · Computer Science 2024-12-31 Chengming Zhang , Xinheng Ding , Baixi Sun , Xiaodong Yu , Weijian Zheng , Zhen Xie , Dingwen Tao

Sequential user modeling, a critical task in personalized recommender systems, focuses on predicting the next item a user would prefer, requiring a deep understanding of user behavior sequences. Despite the remarkable success of…

Artificial Intelligence · Computer Science 2023-10-10 Hao Wang , Jianxun Lian , Mingqi Wu , Haoxuan Li , Jiajun Fan , Wanyue Xu , Chaozhuo Li , Xing Xie

Generative modelling is a demanding test of foundation models, because it requires robust, holistic representation learning for a given data modality, rather than optimisation for a supervised prediction target alone. While recent work on…

Machine Learning · Computer Science 2026-05-12 Xiangjian Jiang , Mingxuan Liu , Nikola Simidjievski , Tassilo Klein , Mateja Jamnik