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Machine learning (ML) has emerged into formidable force for identifying hidden but pertinent patterns within a given data set with the objective of subsequent generation of automated predictive behavior. In the recent years, it is safe to…

Machine learning (ML) methods are being used in almost every conceivable area of electronic structure theory and molecular simulation. In particular, ML has become firmly established in the construction of high-dimensional interatomic…

Chemical Physics · Physics 2021-06-22 Julia Westermayr , Michael Gastegger , Kristof T. Schütt , Reinhard J. Maurer

Detectingandsegmentingobjectswithinwholeslideimagesis essential in computational pathology workflow. Self-supervised learning (SSL) is appealing to such annotation-heavy tasks. Despite the extensive benchmarks in natural images for dense…

Computer Vision and Pattern Recognition · Computer Science 2022-07-15 Jiawei Yang , Hanbo Chen , Yuan Liang , Junzhou Huang , Lei He , Jianhua Yao

Semi-supervised learning (SSL) has been proposed to leverage unlabeled data for training powerful models when only limited labeled data is available. While existing SSL methods assume that samples in the labeled and unlabeled data share the…

Computer Vision and Pattern Recognition · Computer Science 2020-07-23 Qing Yu , Daiki Ikami , Go Irie , Kiyoharu Aizawa

Inspired by the success of Self-supervised learning (SSL) in learning visual representations from unlabeled data, a few recent works have studied SSL in the context of continual learning (CL), where multiple tasks are learned sequentially,…

Computer Vision and Pattern Recognition · Computer Science 2023-03-15 Li Yang , Sen Lin , Fan Zhang , Junshan Zhang , Deliang Fan

Self-supervised learning (SSL) has made enormous progress and largely narrowed the gap with the supervised ones, where the representation learning is mainly guided by a projection into an embedding space. During the projection, current…

Computer Vision and Pattern Recognition · Computer Science 2022-03-29 Lang Huang , Shan You , Mingkai Zheng , Fei Wang , Chen Qian , Toshihiko Yamasaki

Recently, deep learning has experienced rapid expansion, contributing significantly to the progress of supervised learning methodologies. However, acquiring labeled data in real-world settings can be costly, labor-intensive, and sometimes…

Computer Vision and Pattern Recognition · Computer Science 2024-12-02 Jicheng Yuan , Anh Le-Tuan , Ali Ganbarov , Manfred Hauswirth , Danh Le-Phuoc

Fine-grained image classification involves identifying different subcategories of a class which possess very subtle discriminatory features. Fine-grained datasets usually provide bounding box annotations along with class labels to aid the…

Computer Vision and Pattern Recognition · Computer Science 2021-07-30 Farha Al Breiki , Muhammad Ridzuan , Rushali Grandhe

Accurate extraction of molecular representations is a critical step in the drug discovery process. In recent years, significant progress has been made in molecular representation learning methods, among which multi-modal molecular…

Machine Learning · Computer Science 2025-05-13 Rong Yin , Ruyue Liu , Xiaoshuai Hao , Xingrui Zhou , Yong Liu , Can Ma , Weiping Wang

The proliferation of various data sources in urban and territorial environments has significantly facilitated the development of geospatial artificial intelligence (GeoAI) across a wide range of geospatial applications. However, geospatial…

Artificial Intelligence · Computer Science 2025-04-28 Yile Chen , Weiming Huang , Kaiqi Zhao , Yue Jiang , Gao Cong

Self-Supervised Learning (SSL) methods harness the concept of semantic invariance by utilizing data augmentation strategies to produce similar representations for different deformations of the same input. Essentially, the model captures the…

Computer Vision and Pattern Recognition · Computer Science 2024-03-05 Huijie Guo , Ying Ba , Jie Hu , Lingyu Si , Wenwen Qiang , Lei Shi

Joint-embedding self-supervised learning (SSL), the key paradigm for unsupervised representation learning from visual data, learns from invariances between semantically-related data pairs. We study the one-to-many mapping problem in SSL,…

Machine Learning · Computer Science 2026-02-03 Yipeng Zhang , Hafez Ghaemi , Jungyoon Lee , Shahab Bakhtiari , Eilif B. Muller , Laurent Charlin

Designing accurate deep learning models for molecular property prediction plays an increasingly essential role in drug and material discovery. Recently, due to the scarcity of labeled molecules, self-supervised learning methods for learning…

Biomolecules · Quantitative Biology 2022-06-08 Han Li , Dan Zhao , Jianyang Zeng

Self-supervised learning (SSL) algorithms have emerged as powerful tools that can leverage large quantities of unlabeled audio data to pre-train robust representations that support strong performance on diverse downstream tasks. Up to now…

Audio and Speech Processing · Electrical Eng. & Systems 2025-02-05 Mattson Ogg

Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes…

Chemical Physics · Physics 2021-02-02 Michael J. Willatt , Félix Musil , Michele Ceriotti

With the rapid proliferation of mobile devices and data, next-generation wireless communication systems face stringent requirements for ultra-low latency, ultra-high reliability, and massive connectivity. Traditional AI-driven wireless…

Signal Processing · Electrical Eng. & Systems 2024-06-12 Zhixiang Yang , Hongyang Du , Dusit Niyato , Xudong Wang , Yu Zhou , Lei Feng , Fanqin Zhou , Wenjing Li , Xuesong Qiu

Sewerage infrastructure is among the most expensive modern investments requiring time-intensive manual inspections by qualified personnel. Our study addresses the need for automated solutions without relying on large amounts of labeled…

Computer Vision and Pattern Recognition · Computer Science 2024-09-05 Daniel Otero , Rafael Mateus

Since the introduction of artificial intelligence in medicinal chemistry, the necessity has emerged to analyse how molecular property variation is modulated by either single atoms or chemical groups. In this paper, we propose to train…

Biomolecules · Quantitative Biology 2022-02-14 Alessio Ragno , Dylan Savoia , Roberto Capobianco

Artificial intelligence and machine learning have shown great promise in their ability to accelerate novel materials discovery. As researchers and domain scientists seek to unify and consolidate chemical knowledge, the case for models with…

Self-supervised learning (SSL) is an emerging technique that has been successfully employed to train convolutional neural networks (CNNs) and graph neural networks (GNNs) for more transferable, generalizable, and robust representation…

Computer Vision and Pattern Recognition · Computer Science 2022-09-13 Prarthana Bhattacharyya , Chengjie Huang , Krzysztof Czarnecki