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Metal-Organic Frameworks (MOFs) are materials with a high degree of porosity that can be used for applications in energy storage, water desalination, gas storage, and gas separation. However, the chemical space of MOFs is close to an…

Machine Learning · Computer Science 2022-10-26 Zhonglin Cao , Rishikesh Magar , Yuyang Wang , Amir Barati Farimani

Due to the presence of strong correlations, theoretical or experimental investigations of quantum many-body systems belong to the most challenging tasks in modern physics. Stimulated by tensor networks, we propose a scheme of constructing…

Strongly Correlated Electrons · Physics 2017-10-17 Shi-Ju Ran , Angelo Piga , Cheng Peng , Gang Su , Maciej Lewenstein

We propose an attention-based approach for multimodal image patch matching using a Transformer encoder attending to the feature maps of a multiscale Siamese CNN. Our encoder is shown to efficiently aggregate multiscale image embeddings…

Computer Vision and Pattern Recognition · Computer Science 2023-09-26 Aviad Moreshet , Yosi Keller

Graph-based next-step prediction models have recently been very successful in modeling complex high-dimensional physical systems on irregular meshes. However, due to their short temporal attention span, these models suffer from error…

Machine Learning · Computer Science 2022-05-27 Xu Han , Han Gao , Tobias Pfaff , Jian-Xun Wang , Li-Ping Liu

This study investigates the task of dwell time prediction and proposes a Transformer framework based on interaction behavior modeling. The method first represents user interaction sequences on the interface by integrating dwell duration,…

Human-Computer Interaction · Computer Science 2025-12-22 Rui Liu , Runsheng Zhang , Shixiao Wang

The escalating threat of weapon-related violence necessitates automated detection systems capable of pixel-level precision for accurate threat assessment in real-time security applications. Traditional weapon detection approaches rely on…

Computer Vision and Pattern Recognition · Computer Science 2025-10-21 Akhila Kambhatla , Taminul Islam , Khaled R Ahmed

Transformer models are revolutionizing machine learning, but their inner workings remain mysterious. In this work, we present a new visualization technique designed to help researchers understand the self-attention mechanism in transformers…

Human-Computer Interaction · Computer Science 2023-08-10 Catherine Yeh , Yida Chen , Aoyu Wu , Cynthia Chen , Fernanda Viégas , Martin Wattenberg

Multi-agent spatiotemporal modeling is a challenging task from both an algorithmic design and computational complexity perspective. Recent work has explored the efficacy of traditional deep sequential models in this domain, but these…

Machine Learning · Computer Science 2021-09-30 Michael A. Alcorn , Anh Nguyen

The Transformer is a highly successful deep learning model that has revolutionised the world of artificial neural networks, first in natural language processing and later in computer vision. This model is based on the attention mechanism…

Machine Learning · Computer Science 2023-05-09 Riccardo Ughi , Eugenio Lomurno , Matteo Matteucci

A state-of-the-art method that combines a quantum computational algorithm and machine learning, so-called quantum machine learning, can be a powerful approach for solving quantum many-body problems. However, the research scope in the field…

Computational Physics · Physics 2023-04-04 Shu Kanno , Tomofumi Tada

We present a mask-piloted Transformer which improves masked-attention in Mask2Former for image segmentation. The improvement is based on our observation that Mask2Former suffers from inconsistent mask predictions between consecutive decoder…

Computer Vision and Pattern Recognition · Computer Science 2023-03-16 Hao Zhang , Feng Li , Huaizhe Xu , Shijia Huang , Shilong Liu , Lionel M. Ni , Lei Zhang

Transformer-based models have gained large popularity and demonstrated promising results in long-term time-series forecasting in recent years. In addition to learning attention in time domain, recent works also explore learning attention in…

Predicting molecular ground-state conformation (i.e., energy-minimized conformation) is crucial for many chemical applications such as molecular docking and property prediction. Classic energy-based simulation is time-consuming when solving…

Biomolecules · Quantitative Biology 2025-05-23 Fanmeng Wang , Minjie Cheng , Hongteng Xu

In this letter, we investigate learning forward dynamics models and multi-step prediction of state variables (long-term prediction) for contact-rich manipulation. The problems are formulated in the context of model-based reinforcement…

Robotics · Computer Science 2020-09-29 Shahbaz Abdul Khader , Hang Yin , Pietro Falco , Danica Kragic

Although Transformers excel in natural language processing, their extension to time series forecasting remains challenging due to insufficient consideration of the differences between textual and temporal modalities. In this paper, we…

Machine Learning · Computer Science 2025-10-09 Zhipeng Liu , Peibo Duan , Xuan Tang , Baixin Li , Yongsheng Huang , Mingyang Geng , Changsheng Zhang , Bin Zhang , Binwu Wang

Vision Transformers with various attention modules have demonstrated superior performance on vision tasks. While using sparsity-adaptive attention, such as in DAT, has yielded strong results in image classification, the key-value pairs…

Computer Vision and Pattern Recognition · Computer Science 2024-10-14 Nguyen Huu Bao Long , Chenyu Zhang , Yuzhi Shi , Tsubasa Hirakawa , Takayoshi Yamashita , Tohgoroh Matsui , Hironobu Fujiyoshi

Significant advancements have been achieved in the realm of understanding poses and interactions of two hands manipulating an object. The emergence of augmented reality (AR) and virtual reality (VR) technologies has heightened the demand…

Computer Vision and Pattern Recognition · Computer Science 2025-02-28 Elkhan Ismayilzada , MD Khalequzzaman Chowdhury Sayem , Yihalem Yimolal Tiruneh , Mubarrat Tajoar Chowdhury , Muhammadjon Boboev , Seungryul Baek

Medical image segmentation is a cornerstone of modern clinical diagnostics. While Vision Transformers that leverage shifted window-based self-attention have established new benchmarks in this field, they are often hampered by a critical…

Computer Vision and Pattern Recognition · Computer Science 2025-12-04 Fuchen Zheng , Xinyi Chen , Weixuan Li , Quanjun Li , Junhua Zhou , Xiaojiao Guo , Xuhang Chen , Chi-Man Pun , Shoujun Zhou

Vehicular platooning promises transformative improvements in transportation efficiency and safety through the coordination of multi-vehicle formations enabled by Vehicle-to-Everything (V2X) communication. However, the distributed nature of…

Cryptography and Security · Computer Science 2025-12-24 Konstantinos Kalogiannis , Ahmed Mohamed Hussain , Hexu Li , Panos Papadimitratos

Saliency Prediction aims to predict the attention distribution of human eyes given an RGB image. Most of the recent state-of-the-art methods are based on deep image feature representations from traditional CNNs. However, the traditional…

Computer Vision and Pattern Recognition · Computer Science 2023-01-27 Shuo Zhang