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Continual learning requires models to adapt to new data while preserving previously acquired knowledge. At its core, this challenge can be viewed as principled one-step adaptation: incorporating new information with minimal interference to…

Machine Learning · Computer Science 2026-05-21 Jiaqi Sun , Boyang Sun , Rasmy M. H. , Xiangchen Song , Kun Zhang

Metal-organic frameworks (MOFs) have emerged as promising materials for various applications due to their unique structural properties and versatile functionalities. This study presents a comprehensive investigation of machine learning…

Machine Learning · Computer Science 2025-07-08 Zhuo Zheng , Keyan Liu , Xiyuan Zhu

Copolymers are highly versatile materials with a vast range of possible chemical compositions. By using computational methods for property prediction, the design of copolymers can be accelerated, allowing for the prioritization of…

Materials Science · Physics 2025-09-16 Elaheh Kazemi-Khasragh , Rocío Mercado , Carlos Gonzalez , Maciej Haranczyk

Ordinal regression is commonly formulated as a multi-class problem with ordinal constraints. The challenge of designing accurate classifiers for ordinal regression generally increases with the number of classes involved, due to the large…

Machine Learning · Computer Science 2015-03-18 Chun-Wei Seah , Ivor W. Tsang , Yew-Soon Ong

Construction of transferable machine-learning interatomic potentials with a minimal number of parameters is important for their general applicability. Here, we present a machine-learning interatomic potential with the functional form of the…

Materials Science · Physics 2025-12-09 Ikuma Kohata , Kaoru Hisama , Keigo Otsuka , Shigeo Maruyama

We study structure learning for linear Gaussian SEMs in the presence of latent confounding. Existing continuous methods excel when errors are independent, while deconfounding-first pipelines rely on pervasive factor structure or…

Machine Learning · Computer Science 2025-10-03 Samhita Pal , James O'quinn , Kaveh Aryan , Heather Pua , James P. Long , Amir Asiaee

In the domain of disordered photonics, the characterization of optically opaque materials for light manipulation and imaging is a primary aim. Among various complex devices, multi-mode optical fibers stand out as cost-effective and…

Machine learning in atomistic materials science has grown to become a powerful tool, with most approaches focusing on atomic arrangements, typically decomposed into local atomic environments. This approach, while well-suited for…

Materials Science · Physics 2025-03-12 Austin Zadoks , Antimo Marrazzo , Nicola Marzari

Ordinal regression (OR) is a special multiclass classification problem where an order relation exists among the labels. Recent years, people share their opinions and sentimental judgments conveniently with social networks and E-Commerce so…

Machine Learning · Computer Science 2018-12-21 Yong Shi , Huadong Wang , Xin Shen , Lingfeng Niu

Accurate and timely prediction of tool conditions is critical for intelligent manufacturing systems, where unplanned tool failures can lead to quality degradation and production downtime. In modern industrial environments, predictive…

Artificial Intelligence · Computer Science 2025-11-04 Ziqi Wang , Hailiang Zhao , Yuhao Yang , Daojiang Hu , Cheng Bao , Mingyi Liu , Kai Di , Schahram Dustdar , Zhongjie Wang , Shuiguang Deng

The rapid advancement of autonomous systems, including self-driving vehicles and drones, has intensified the need to forge true Spatial Intelligence from multi-modal onboard sensor data. While foundation models excel in single-modal…

Computer Vision and Pattern Recognition · Computer Science 2026-01-09 Song Wang , Lingdong Kong , Xiaolu Liu , Hao Shi , Wentong Li , Jianke Zhu , Steven C. H. Hoi

Medical image analysis relies on accurate segmentation, and benefits from controllable synthesis (of new training images). Yet both tasks of the cyclical pipeline face spatial imbalance: lesions occupy small regions against vast…

Computer Vision and Pattern Recognition · Computer Science 2026-03-06 Anugunj Naman , Ayushman Singh , Gaibo Zhang , Yaguang Zhang

Robust and efficient interpretation of QSAR methods is quite useful to validate AI prediction rationales with subjective opinion (chemist or biologist expertise), understand sophisticated chemical or biological process mechanisms, and…

Biomolecules · Quantitative Biology 2026-05-05 Jinjiang Guo , Qi Liu , Han Guo , Xi Lu

We learn about the world from a diverse range of sensory information. Automated systems lack this ability as investigation has centred on processing information presented in a single form. Adapting architectures to learn from multiple…

Machine Learning · Computer Science 2020-10-27 Jason Armitage , Shramana Thakur , Rishi Tripathi , Jens Lehmann , Maria Maleshkova

Searching for the $k$-nearest neighbors (KNN) in multimodal data retrieval is computationally expensive, particularly due to the inherent difficulty in comparing similarity measures across different modalities. Recent advances in multimodal…

Machine Learning · Computer Science 2025-08-25 Chengyu Gong , Gefei Shen , Luanzheng Guo , Nathan Tallent , Dongfang Zhao

The large-scale search for high-performing candidate 2D materials is limited to calculating a few simple descriptors, usually with first-principles density functional theory calculations. In this work, we alleviate this issue by extending…

Materials Science · Physics 2020-07-07 Victor Venturi , Holden Parks , Zeeshan Ahmad , Venkatasubramanian Viswanathan

Autoregressive models (ARMs) have become the workhorse for sequence generation tasks, since many problems can be modeled as next-token prediction. While there appears to be a natural ordering for text (i.e., left-to-right), for many data…

Machine Learning · Computer Science 2025-07-15 Zhe Wang , Jiaxin Shi , Nicolas Heess , Arthur Gretton , Michalis K. Titsias

BioFabrics were introduced by Longabaugh in 2012 as a way to draw large graphs in a clear and uncluttered manner. The visual quality of BioFabrics crucially depends on the order of vertices and edges, which can be chosen independently.…

Human-Computer Interaction · Computer Science 2026-05-19 Jules Wulms , Wouter Meulemans , Bettina Speckmann

Machine learning has revolutionized materials design, yet predicting complex properties like alloy ductility remains challenging due to the influence of processing conditions and microstructural features that resist quantification through…

Materials Science · Physics 2025-06-17 Yongqian Peng , Zhouran Zhang , Longhui Zhang , Fengyuan Zhao , Yahao Li , Yicong Ye , Shuxin Bai

Recent studies on fully dielectric multilayered metamaterials have shown that the negligibly small nonlocal effects (spatial dispersion) typically observed in the limit of deeply subwavelength layers may be significantly enhanced by…

Optics · Physics 2018-12-05 Marino Coppolaro , Giuseppe Castaldi , Vincenzo Galdi