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Inspired by the success of foundation models in applications such as ChatGPT, as graph data has been ubiquitous, one can envision the far-reaching impacts that can be brought by Graph Foundation Models (GFMs) with broader applications in…

Machine Learning · Computer Science 2024-11-12 Zehong Wang , Zheyuan Zhang , Nitesh V Chawla , Chuxu Zhang , Yanfang Ye

The problem of accelerating drug discovery relies heavily on automatic tools to optimize precursor molecules to afford them with better biochemical properties. Our work in this paper substantially extends prior state-of-the-art on…

Chemical Physics · Physics 2019-10-22 Wengong Jin , Regina Barzilay , Tommi Jaakkola

Vision Transformers (ViTs) have underpinned the recent breakthroughs in computer vision. However, designing the architectures of ViTs is laborious and heavily relies on expert knowledge. To automate the design process and incorporate…

Computer Vision and Pattern Recognition · Computer Science 2022-08-24 Jing Liu , Jianfei Cai , Bohan Zhuang

Convolutional neural network (CNN) based methods have achieved great successes in medical image segmentation, but their capability to learn global representations is still limited due to using small effective receptive fields of convolution…

Computer Vision and Pattern Recognition · Computer Science 2022-11-17 Pengfei Gu , Yejia Zhang , Chaoli Wang , Danny Z. Chen

Training deep learning models takes an extremely long execution time and consumes large amounts of computing resources. At the same time, recent research proposed systems and compilers that are expected to decrease deep learning models…

Machine Learning · Computer Science 2022-05-11 Sean Parker , Sami Alabed , Eiko Yoneki

Transformers have greatly advanced the state-of-the-art in Natural Language Processing (NLP) in recent years, but present very large computation and storage requirements. We observe that the design process of Transformers (pre-train a…

Computation and Language · Computer Science 2022-06-13 Amrit Nagarajan , Sanchari Sen , Jacob R. Stevens , Anand Raghunathan

The transformer architecture by Vaswani et al. (2017) is now ubiquitous across application domains, from natural language processing to speech processing and image understanding. We propose DenseFormer, a simple modification to the standard…

Computation and Language · Computer Science 2024-03-22 Matteo Pagliardini , Amirkeivan Mohtashami , Francois Fleuret , Martin Jaggi

Exploring sample relationships within each mini-batch has shown great potential for learning image representations. Existing works generally adopt the regular Transformer to model the visual content relationships, ignoring the cues of…

Computer Vision and Pattern Recognition · Computer Science 2022-11-22 Xixi Wang , Bo Jiang , Xiao Wang , Bin Luo

Despite progress across a broad range of applications, Transformers have limited success in systematic generalization. The situation is especially frustrating in the case of algorithmic tasks, where they often fail to find intuitive…

Machine Learning · Computer Science 2022-05-06 Róbert Csordás , Kazuki Irie , Jürgen Schmidhuber

In this paper, we propose a novel model called SGFormer, Semantic Graph TransFormer for point cloud-based 3D scene graph generation. The task aims to parse a point cloud-based scene into a semantic structural graph, with the core challenge…

Computer Vision and Pattern Recognition · Computer Science 2023-12-21 Changsheng Lv , Mengshi Qi , Xia Li , Zhengyuan Yang , Huadong Ma

The transformer architecture has shown remarkable success in various domains, such as natural language processing and computer vision. When it comes to graph learning, transformers are required not only to capture the interactions between…

Machine Learning · Computer Science 2024-01-30 Van Thuy Hoang , O-Joun Lee

How can we best encode structured data into sequential form for use in large language models (LLMs)? In this work, we introduce a parameter-efficient method to explicitly represent structured data for LLMs. Our method, GraphToken, learns an…

Machine Learning · Computer Science 2024-02-09 Bryan Perozzi , Bahare Fatemi , Dustin Zelle , Anton Tsitsulin , Mehran Kazemi , Rami Al-Rfou , Jonathan Halcrow

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

Traffic forecasting, which aims to predict traffic conditions based on historical observations, has been an enduring research topic and is widely recognized as an essential component of intelligent transportation. Recent proposals on…

Machine Learning · Computer Science 2025-12-23 Zezhi Shao , Fei Wang , Tao Sun , Chengqing Yu , Yuchen Fang , Guangyin Jin , Zhulin An , Yang Liu , Xiaobo Qu , Yongjun Xu

Transformer-based models have recently become dominant in Long-term Time Series Forecasting (LTSF), yet the variations in their architecture, such as encoder-only, encoder-decoder, and decoder-only designs, raise a crucial question: What…

Machine Learning · Computer Science 2025-07-18 Lefei Shen , Mouxiang Chen , Han Fu , Xiaoxue Ren , Xiaoyun Joy Wang , Jianling Sun , Zhuo Li , Chenghao Liu

Implicit neural networks have emerged as a crucial technology in 3D surface reconstruction. To reconstruct continuous surfaces from discrete point clouds, encoding the input points into regular grid features (plane or volume) has been…

Computer Vision and Pattern Recognition · Computer Science 2024-01-05 Shengtao Li , Ge Gao , Yudong Liu , Yu-Shen Liu , Ming Gu

Both Convolutional Neural Networks (CNNs) and Transformers have shown great success in semantic segmentation tasks. Efforts have been made to integrate CNNs with Transformer models to capture both local and global context interactions.…

Computer Vision and Pattern Recognition · Computer Science 2024-07-12 Guoan Xu , Wenjing Jia , Tao Wu , Ligeng Chen , Guangwei Gao

Deep network architectures struggle to continually learn new tasks without forgetting the previous tasks. A recent trend indicates that dynamic architectures based on an expansion of the parameters can reduce catastrophic forgetting…

Computer Vision and Pattern Recognition · Computer Science 2022-08-09 Arthur Douillard , Alexandre Ramé , Guillaume Couairon , Matthieu Cord

In this paper, we propose an encoder-decoder neural architecture (called Channelformer) to achieve improved channel estimation for orthogonal frequency-division multiplexing (OFDM) waveforms in downlink scenarios. The self-attention…

Signal Processing · Electrical Eng. & Systems 2023-02-10 Dianxin Luan , John Thompson

Understanding the inner workings of neural networks is essential for enhancing model performance and interpretability. Current research predominantly focuses on examining the connection between individual neurons and the model's final…

Computer Vision and Pattern Recognition · Computer Science 2025-02-25 Tue M. Cao , Nhat X. Hoang , Hieu H. Pham , Phi Le Nguyen , My T. Thai