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Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

Machine Learning · Computer Science 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li

Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Computational Physics · Physics 2019-03-12 Bhavya Kailkhura , Brian Gallagher , Sookyung Kim , Anna Hiszpanski , T. Yong-Jin Han

Generative Large Language Models (LLMs) based on the Transformer architecture have recently emerged as a dominant foundation model for a wide range of Natural Language Processing tasks. Nevertheless, their application in real-time scenarios…

Computation and Language · Computer Science 2024-01-04 Coleman Hooper , Sehoon Kim , Hiva Mohammadzadeh , Hasan Genc , Kurt Keutzer , Amir Gholami , Sophia Shao

The use of tiny devices capable of low-latency gesture recognition is gaining momentum in everyday human-computer interaction and especially in medical monitoring fields. Embedded solutions such as fall detection, rehabilitation tracking,…

Computer Vision and Pattern Recognition · Computer Science 2026-02-10 Veeramani Pugazhenthi , Wei-Hsiang Chu , Junwei Lu , Jadyn N. Miyahira , Mahdi Eslamimehr , Pratik Satam , Rozhin Yasaei , Soheil Salehi

Matrix multiplication is the bedrock in Deep Learning inference application. When it comes to hardware acceleration on edge computing devices, matrix multiplication often takes up a great majority of the time. To achieve better performance…

Machine Learning · Computer Science 2021-10-12 Yuyang Zhang , Dik Hin Leung , Min Guo , Yijia Xiao , Haoyue Liu , Yunfei Li , Jiyuan Zhang , Guan Wang , Zhen Chen

Large Language Models (LLMs) are discovered to suffer from accurately retrieving key information. To address this, we propose Mask-Enhanced Autoregressive Prediction (MEAP), a simple yet effective training paradigm that seamlessly…

Computation and Language · Computer Science 2026-03-16 Xialie Zhuang , Zhikai Jia , Jianjin Li , Zhenyu Zhang , Li Shen , Zheng Cao , Shiwei Liu

Surface defects in Laser Powder Bed Fusion (LPBF) pose significant risks to the structural integrity of additively manufactured components. This paper introduces TransMatch, a novel framework that merges transfer learning and…

Computer Vision and Pattern Recognition · Computer Science 2025-09-03 Mohsen Asghari Ilani , Yaser Mike Banad

We systematically investigate multi-token prediction (MTP) capabilities within LLMs pre-trained for next-token prediction (NTP). We first show that such models inherently possess MTP capabilities via numerical marginalization over…

Computation and Language · Computer Science 2025-02-14 Somesh Mehra , Javier Alonso Garcia , Lukas Mauch

Deploying deep neural networks on edge devices is often limited by the memory traffic and compute cost of dense linear operators. While quaternion neural networks improve parameter efficiency by coupling multiple channels through Hamilton…

Computer Vision and Pattern Recognition · Computer Science 2026-01-12 Vladimir Frants , Sos Agaian , Karen Panetta

The Epithelial Dysplasia (ED) is a tissue alteration commonly present in lesions preceding oral cancer, being its presence one of the most important factors in the progression toward carcinoma. This study proposes a method to design a low…

Image and Video Processing · Electrical Eng. & Systems 2022-04-08 Karoline da Rocha , José C. M. Bermudez , Elena R. C. Rivero , Márcio H. Costa

Graph neural networks (GNNs) have demonstrated superior performance in collaborative recommendation through their ability to conduct high-order representation smoothing, effectively capturing structural information within users' interaction…

Information Retrieval · Computer Science 2025-05-29 Guoxuan Chen , Lianghao Xia , Chao Huang

Recent works have proven the effectiveness of k-nearest-neighbor machine translation(a.k.a kNN-MT) approaches to produce remarkable improvement in cross-domain translations. However, these models suffer from heavy retrieve overhead on the…

Computation and Language · Computer Science 2025-01-07 Xiangyu Shi , Yunlong Liang , Jinan Xu , Yufeng Chen

Most advances in medical lesion detection network are limited to subtle modification on the conventional detection network designed for natural images. However, there exists a vast domain gap between medical images and natural images where…

Computer Vision and Pattern Recognition · Computer Science 2020-03-20 Chenhan Jiang , Shaoju Wang , Hang Xu , Xiaodan Liang , Nong Xiao

Deep generative models have gained significant advancements to accelerate drug discovery by generating bioactive chemicals against desired targets. Nevertheless, most generated compounds that have been validated for potent bioactivity often…

Quantitative Methods · Quantitative Biology 2024-01-03 Weixin Xie , Jianhang Zhang , Qin Xie , Chaojun Gong , Youjun Xu , Luhua Lai , Jianfeng Pei

The paper presents a novel deep learning approach, which extracts latent information from trained Deep Neural Networks (DNNs) and derives concise representations that are analyzed in an effective, unified way for prediction purposes. It is…

Machine Learning · Computer Science 2020-09-22 D. Kollias , N. Bouas , Y. Vlaxos , V. Brillakis , M. Seferis , I. Kollia , L. Sukissian , J. Wingate , S. Kollias

Recent advancements in Low-Light Image Enhancement (LLIE) have focused heavily on Diffusion Probabilistic Models, which achieve high perceptual quality but suffer from significant computational latency (often exceeding 2-4 seconds per…

Computer Vision and Pattern Recognition · Computer Science 2026-01-13 Yash Thesia , Meera Suthar

Making accurate motion prediction of surrounding agents such as pedestrians and vehicles is a critical task when robots are trying to perform autonomous navigation tasks. Recent research on multi-modal trajectory prediction, including…

Computer Vision and Pattern Recognition · Computer Science 2020-10-16 YingQiao Wang

Based on its great successes in inference and denosing tasks, Dictionary Learning (DL) and its related sparse optimization formulations have garnered a lot of research interest. While most solutions have focused on single layer…

Machine Learning · Computer Science 2021-04-22 Wen Tang , Emilie Chouzenoux , Jean-Christophe Pesquet , Hamid Krim

Hybrid light fidelity (LiFi) and wireless fidelity (WiFi) networks are a promising paradigm of heterogeneous network (HetNet), attributed to the complementary physical properties of optical spectra and radio frequency. However, the current…

Machine Learning · Computer Science 2025-09-09 Han Ji , Xiping Wu , Zhihong Zeng , Chen Chen

Many recent approaches of passage retrieval are using dense embeddings generated from deep neural models, called "dense passage retrieval". The state-of-the-art end-to-end dense passage retrieval systems normally deploy a deep neural model…

Information Retrieval · Computer Science 2022-10-11 Yifan Wang , Haodi Ma , Daisy Zhe Wang