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Transformers have become widely used in various tasks, such as natural language processing and machine vision. This paper proposes Gransformer, an algorithm based on Transformer for generating graphs. We modify the Transformer encoder to…

Machine Learning · Computer Science 2024-06-03 Ahmad Khajenezhad , Seyed Ali Osia , Mahmood Karimian , Hamid Beigy

Attention mechanisms have been very popular in deep neural networks, where the Transformer architecture has achieved great success in not only natural language processing but also visual recognition applications. Recently, a new Transformer…

Computer Vision and Pattern Recognition · Computer Science 2022-04-05 Zhi Hou , Baosheng Yu , Chaoyue Wang , Yibing Zhan , Dacheng Tao

Neural methods of molecule property prediction require efficient encoding of structure and property relationship to be accurate. Recent work using graph algorithms shows limited generalization in the latent molecule encoding space. We build…

Quantitative Methods · Quantitative Biology 2020-11-26 Prateeth Nayak , Andrew Silberfarb , Ran Chen , Tulay Muezzinoglu , John Byrnes

For the task of speech separation, previous study usually treats multi-channel and single-channel scenarios as two research tracks with specialized solutions developed respectively. Instead, we propose a simple and unified architecture -…

Sound · Computer Science 2023-03-15 Shuo Wang , Xiangyu Kong , Xiulian Peng , Mahmood Movassagh , Vinod Prakash , Yan Lu

In this paper, we aim to tackle the challenging few-shot segmentation task from a new perspective. Typical methods follow the paradigm to firstly learn prototypical features from support images and then match query features in pixel-level…

Computer Vision and Pattern Recognition · Computer Science 2023-01-04 Siyu Jiao , Gengwei Zhang , Shant Navasardyan , Ling Chen , Yao Zhao , Yunchao Wei , Humphrey Shi

The growing use of deep learning necessitates efficient network design and deployment, making neural predictors vital for estimating attributes such as accuracy and latency. Recently, Graph Neural Networks (GNNs) and transformers have shown…

Machine Learning · Computer Science 2025-07-02 Ruihan Xu , Haokui Zhang , Yaowei Wang , Wei Zeng , Shiliang Zhang

Detecting and quantifying products of cellular metabolism using Mass Spectrometry (MS) has already shown great promise in many biological and biomedical applications. The biggest challenge in metabolomics is annotation, where measured…

Machine Learning · Computer Science 2020-10-12 Hao Zhu , Liping Liu , Soha Hassoun

Molecular dynamic simulations are important in computational physics, chemistry, material, and biology. Machine learning-based methods have shown strong abilities in predicting molecular energy and properties and are much faster than DFT…

Molecular Networks · Quantitative Biology 2023-02-03 Zheng Yuan , Yaoyun Zhang , Chuanqi Tan , Wei Wang , Fei Huang , Songfang Huang

Despite the success of deep neural networks, there are still many challenges in deep representation learning due to the data scarcity issues such as data imbalance, unseen distribution, and domain shift. To address the above-mentioned…

Computer Vision and Pattern Recognition · Computer Science 2022-04-01 Zhi Hou , Baosheng Yu , Dacheng Tao

Local feature matching between images remains a challenging task, especially in the presence of significant appearance variations, e.g., extreme viewpoint changes. In this work, we propose DeepMatcher, a deep Transformer-based network built…

Computer Vision and Pattern Recognition · Computer Science 2023-01-10 Tao Xie , Kun Dai , Ke Wang , Ruifeng Li , Lijun Zhao

Procuring expressive molecular representations underpins AI-driven molecule design and scientific discovery. The research mainly focuses on atom-level homogeneous molecular graphs, ignoring the rich information in subgraphs or motifs.…

Quantitative Methods · Quantitative Biology 2023-01-10 Fang Wu , Dragomir Radev , Stan Z. Li

Multivariate time series forecasting focuses on predicting future values based on historical context. State-of-the-art sequence-to-sequence models rely on neural attention between timesteps, which allows for temporal learning but fails to…

Machine Learning · Computer Science 2023-03-21 Jake Grigsby , Zhe Wang , Nam Nguyen , Yanjun Qi

Pan-sharpening aims at producing a high-resolution (HR) multi-spectral (MS) image from a low-resolution (LR) multi-spectral (MS) image and its corresponding panchromatic (PAN) image acquired by a same satellite. Inspired by a new fashion in…

Computer Vision and Pattern Recognition · Computer Science 2022-04-12 Huanyu Zhou , Qingjie Liu , Yunhong Wang

This paper aims to address the problem of supervised monocular depth estimation. We start with a meticulous pilot study to demonstrate that the long-range correlation is essential for accurate depth estimation. Therefore, we propose to…

Computer Vision and Pattern Recognition · Computer Science 2023-10-13 Zhenyu Li , Zehui Chen , Xianming Liu , Junjun Jiang

Transformers, adapted from natural language processing, are emerging as a leading approach for graph representation learning. Contemporary graph transformers often treat nodes or edges as separate tokens. This approach leads to…

Machine Learning · Computer Science 2023-10-04 Zihan Pengmei , Zimu Li , Chih-chan Tien , Risi Kondor , Aaron R. Dinner

Motion prediction plays an important role in autonomous driving. This study presents LMFormer, a lane-aware transformer network for trajectory prediction tasks. In contrast to previous studies, our work provides a simple mechanism to…

Computer Vision and Pattern Recognition · Computer Science 2025-04-15 Harsh Yadav , Maximilian Schaefer , Kun Zhao , Tobias Meisen

Identifying molecules from mass spectrometry (MS) data remains a fundamental challenge due to the semantic gap between physical spectral peaks and underlying chemical structures. Existing deep learning approaches often treat spectral…

Machine Learning · Computer Science 2026-02-03 Seunghyun Yoo , Sanghong Kim , Namkyung Yoon , Hwangnam Kim

Transformer-based models have greatly pushed the boundaries of time series forecasting recently. Existing methods typically encode time series data into $\textit{patches}$ using one or a fixed set of patch lengths. This, however, could…

Machine Learning · Computer Science 2024-02-09 Linfeng Du , Ji Xin , Alex Labach , Saba Zuberi , Maksims Volkovs , Rahul G. Krishnan

Transformer has achieved satisfactory results in the field of hyperspectral image (HSI) classification. However, existing Transformer models face two key challenges when dealing with HSI scenes characterized by diverse land cover types and…

Computer Vision and Pattern Recognition · Computer Science 2025-02-27 Yichu Xu , Di Wang , Lefei Zhang , Liangpei Zhang

Determining the structure of a protein has been a decades-long open question. A protein's three-dimensional structure often poses nontrivial computation costs, when classical simulation algorithms are utilized. Advances in the transformer…

Machine Learning · Computer Science 2023-10-09 Chen Dun , Qiutai Pan , Shikai Jin , Ria Stevens , Mitchell D. Miller , George N. Phillips, , Anastasios Kyrillidis