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Text semantic segmentation involves partitioning a document into multiple paragraphs with continuous semantics based on the subject matter, contextual information, and document structure. Traditional approaches have typically relied on…

Computation and Language · Computer Science 2025-04-03 Tongke Ni , Yang Fan , Junru Zhou , Xiangping Wu , Qingcai Chen

Parameter estimation is one of the most important tasks in statistics, and is key to helping people understand the distribution behind a sample of observations. Traditionally parameter estimation is done either by closed-form solutions…

Machine Learning · Computer Science 2024-03-04 Xiaoxin Yin , David S. Yin

Convolutional neural networks (CNNs) have been the consensus for medical image segmentation tasks. However, they suffer from the limitation in modeling long-range dependencies and spatial correlations due to the nature of convolution…

Computer Vision and Pattern Recognition · Computer Science 2023-01-10 Moein Heidari , Amirhossein Kazerouni , Milad Soltany , Reza Azad , Ehsan Khodapanah Aghdam , Julien Cohen-Adad , Dorit Merhof

Recently, heatmap regression methods based on 1D landmark representations have shown prominent performance on locating facial landmarks. However, previous methods ignored to make deep explorations on the good potentials of 1D landmark…

Computer Vision and Pattern Recognition · Computer Science 2024-02-02 Shi Yin , Shijie Huan , Shangfei Wang , Jinshui Hu , Tao Guo , Bing Yin , Baocai Yin , Cong Liu

Machine learning techniques have recently been adopted in various applications in medicine, biology, chemistry, and material engineering. An important task is to predict the properties of molecules, which serves as the main subroutine in…

Machine Learning · Computer Science 2019-11-12 Shengchao Liu , Mehmet Furkan Demirel , Yingyu Liang

In the hyperspectral image classification (HSIC) task, the most commonly used model validation paradigm is partitioning the training-test dataset through pixel-wise random sampling. By training on a small amount of data, the deep learning…

Computer Vision and Pattern Recognition · Computer Science 2024-10-23 Enzhe Zhao , Zhichang Guo , Shengzhu Shi , Yao Li , Jia Li , Dazhi Zhang

Real-world data generation often involves complex inter-dependencies among instances, violating the IID-data hypothesis of standard learning paradigms and posing a challenge for uncovering the geometric structures for learning desired…

Machine Learning · Computer Science 2023-05-30 Qitian Wu , Chenxiao Yang , Wentao Zhao , Yixuan He , David Wipf , Junchi Yan

Raman spectroscopy is widely used across scientific domains to characterize the chemical composition of samples in a non-destructive, label-free manner. Many applications entail the unmixing of signals from mixtures of molecular species to…

Identifying structures in common forms the basis for networked systems design and optimization. However, real structures represented by graphs are often of varying sizes, leading to the low accuracy of traditional graph classification…

Machine Learning · Computer Science 2024-09-04 Xiaoyu Zhang , Wenchuan Yang , Jiawei Feng , Bitao Dai , Tianci Bu , Xin Lu

Feature pyramids have been widely adopted in convolutional neural networks and transformers for tasks in medical image segmentation. However, existing models generally focus on the Encoder-side Transformer for feature extraction. We further…

Computer Vision and Pattern Recognition · Computer Science 2025-04-08 Hongyi Cai , Mohammad Mahdinur Rahman , Wenzhen Dong , Jingyu Wu

The study of structure-spectrum relationships is essential for spectral interpretation, impacting structural elucidation and material design. Predicting spectra from molecular structures is challenging due to their complex relationships.…

Computational Physics · Physics 2024-08-29 Fanjie Xu , Wentao Guo , Feng Wang , Lin Yao , Hongshuai Wang , Fujie Tang , Zhifeng Gao , Linfeng Zhang , Weinan E , Zhong-Qun Tian , Jun Cheng

Molecular representation learning is a crucial task in predicting molecular properties. Molecules are often modeled as graphs where atoms and chemical bonds are represented as nodes and edges, respectively, and Graph Neural Networks (GNNs)…

Machine Learning · Computer Science 2023-05-23 Jiahao Chen , Yurou Liu , Jiangmeng Li , Bing Su , Jirong Wen

Modeling the relationship between chemical structure and molecular activity is a key goal in drug development. Many benchmark tasks have been proposed for molecular property prediction, but these tasks are generally aimed at specific,…

Quantitative Methods · Quantitative Biology 2020-10-05 Samuel G. Finlayson , Matthew B. A. McDermott , Alex V. Pickering , Scott L. Lipnick , Isaac S. Kohane

Spectral graph neural networks (GNNs) learn graph representations via spectral-domain graph convolutions. However, most existing spectral graph filters are scalar-to-scalar functions, i.e., mapping a single eigenvalue to a single filtered…

Machine Learning · Computer Science 2023-03-03 Deyu Bo , Chuan Shi , Lele Wang , Renjie Liao

This paper introduces an approach, named DFormer, for universal image segmentation. The proposed DFormer views universal image segmentation task as a denoising process using a diffusion model. DFormer first adds various levels of Gaussian…

Computer Vision and Pattern Recognition · Computer Science 2023-06-09 Hefeng Wang , Jiale Cao , Rao Muhammad Anwer , Jin Xie , Fahad Shahbaz Khan , Yanwei Pang

The combination of the U-Net based deep learning models and Transformer is a new trend for medical image segmentation. U-Net can extract the detailed local semantic and texture information and Transformer can learn the long-rang…

Image and Video Processing · Electrical Eng. & Systems 2023-04-05 Sheng He , Rina Bao , P. Ellen Grant , Yangming Ou

Accurate and robust drug response prediction is of utmost importance in precision medicine. Although many models have been developed to utilize the representations of drugs and cancer cell lines for predicting cancer drug responses (CDR),…

Quantitative Methods · Quantitative Biology 2023-11-22 Xiaoqiong Xia , Chaoyu Zhu , Yuqi Shan , Fan Zhong , Lei Liu

Graph Transformers have recently attracted attention for molecular property prediction by combining the inductive biases of graph neural networks (GNNs) with the global receptive field of Transformers. However, many existing hybrid…

Machine Learning · Computer Science 2026-04-09 Yi Yang , Ovidiu Daescu

Introduction: molecular geometry, the three-dimensional arrangement of atoms within a molecule, is fundamental to understanding chemical reactivity, physical properties, and biological activity. The prevailing models used to describe…

General Physics · Physics 2026-05-12 Sebastian Ali Sacasa-Cespedes

Time series forecasting is a fundamental problem with applications in climate, energy, healthcare, and finance. Many existing approaches require domain-specific feature engineering and substantial labeled data for each task. We introduce…

Machine Learning · Computer Science 2026-01-29 Olaf Yunus Laitinen Imanov , Derya Umut Kulali , Taner Yilmaz