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Machine learning (ML) enables accurate and fast molecular property predictions, which are of interest in drug discovery and material design. Their success is based on the principle of similarity at its heart, assuming that similar molecules…

Computational Engineering, Finance, and Science · Computer Science 2026-01-09 Fang Wu

Semi-supervised learning frameworks usually adopt mutual learning approaches with multiple submodels to learn from different perspectives. To avoid transferring erroneous pseudo labels between these submodels, a high threshold is usually…

Computer Vision and Pattern Recognition · Computer Science 2023-01-11 Hao Xu , Hui Xiao , Huazheng Hao , Li Dong , Xiaojie Qiu , Chengbin Peng

This work proposes a new way of combining independently trained classifiers over space and time. Combination over space means that the outputs of spatially distributed classifiers are aggregated. Combination over time means that the…

Signal Processing · Electrical Eng. & Systems 2021-04-19 Virginia Bordignon , Stefan Vlaski , Vincenzo Matta , Ali H. Sayed

Despite tremendous success of deep neural network in machine learning, the underlying reason for its superior learning capability remains unclear. Here, we present a framework based on statistical physics to study dynamics of stochastic…

Machine Learning · Computer Science 2021-01-19 Yu Feng , Yuhai Tu

Deep learning based discriminative methods, being the state-of-the-art machine learning techniques, are ill-suited for learning from lower amounts of data. In this paper, we propose a novel framework, called simultaneous two sample learning…

Computation and Language · Computer Science 2017-12-18 Sri Harsha Dumpala , Rupayan Chakraborty , Sunil Kumar Kopparapu

In this paper, we introduce a discrete variant of the meta-learning framework. Meta-learning aims at exploiting prior experience and data to improve performance on future tasks. By now, there exist numerous formulations for meta-learning in…

Machine Learning · Computer Science 2021-01-12 Arman Adibi , Aryan Mokhtari , Hamed Hassani

In this work, we investigate semi-supervised learning (SSL) for image classification using adversarial training. Previous results have illustrated that generative adversarial networks (GANs) can be used for multiple purposes. Triple-GAN,…

Machine Learning · Computer Science 2019-10-22 Wenyuan Li , Zichen Wang , Yuguang Yue , Jiayun Li , William Speier , Mingyuan Zhou , Corey W. Arnold

Training large language models (LLMs) poses challenges due to their massive scale and heterogeneous architectures. While adaptive optimizers like AdamW help address gradient variations, they still struggle with efficient and effective…

Machine Learning · Computer Science 2025-06-03 Siyuan Li , Juanxi Tian , Zedong Wang , Xin Jin , Zicheng Liu , Wentao Zhang , Dan Xu

Variable selection and dimension reduction are two commonly adopted approaches for high-dimensional data analysis, but have traditionally been treated separately. Here we propose an integrated approach, called sparse gradient learning…

Machine Learning · Statistics 2010-07-02 Gui-Bo Ye , Xiaohui Xie

Learning with supervision has achieved remarkable success in numerous artificial intelligence (AI) applications. In the current literature, by referring to the properties of the labels prepared for the training dataset, learning with…

Computer Vision and Pattern Recognition · Computer Science 2024-02-12 Yongquan Yang

Learning by self-explanation is an effective learning technique in human learning, where students explain a learned topic to themselves for deepening their understanding of this topic. It is interesting to investigate whether this…

Machine Learning · Computer Science 2021-03-12 Ramtin Hosseini , Pengtao Xie

Many real-world decisions are made under uncertainty by solving optimization problems using predicted quantities. This predict-then-optimize paradigm has motivated decision-focused learning, which trains models with awareness of how the…

Machine Learning · Computer Science 2025-11-10 Paula Rodriguez-Diaz , Kirk Bansak Elisabeth Paulson

Self-supervised heterogeneous graph learning (SHGL) has shown promising potential in diverse scenarios. However, while existing SHGL methods share a similar essential with clustering approaches, they encounter two significant limitations:…

Artificial Intelligence · Computer Science 2024-12-03 Yujie Mo , Zhihe Lu , Runpeng Yu , Xiaofeng Zhu , Xinchao Wang

Conventional machine learning (ML) relies heavily on manual design from machine learning experts to decide learning tasks, data, models, optimization algorithms, and evaluation metrics, which is labor-intensive, time-consuming, and cannot…

Machine Learning · Computer Science 2022-01-11 Wenwu Zhu , Xin Wang , Pengtao Xie

Multi-Task Learning (MTL) is a powerful technique that has gained popularity due to its performance improvement over traditional Single-Task Learning (STL). However, MTL is often challenging because there is an exponential number of…

Machine Learning · Computer Science 2024-05-28 Ammar Sherif , Abubakar Abid , Mustafa Elattar , Mohamed ElHelw

Locally supervised learning aims to train a neural network based on a local estimation of the global loss function at each decoupled module of the network. Auxiliary networks are typically appended to the modules to approximate the gradient…

Machine Learning · Computer Science 2022-08-02 Hasnain Irshad Bhatti , Jaekyun Moon

Crystal structures connected by continuous phase transitions are linked through mathematical relations between crystallographic groups and their subgroups. In the present study, we introduce group-subgroup machine learning (GS-ML) and show…

Chemical Physics · Physics 2021-04-29 Prakriti Kayastha , Raghunathan Ramakrishnan

Active learning is the set of techniques for intelligently labeling large unlabeled datasets to reduce the labeling effort. In parallel, recent developments in self-supervised and semi-supervised learning (S4L) provide powerful techniques,…

Machine Learning · Computer Science 2020-11-17 Yao-Chun Chan , Mingchen Li , Samet Oymak

Over the past decade, deep neural networks have demonstrated significant success using the training scheme that involves mini-batch stochastic gradient descent on extensive datasets. Expanding upon this accomplishment, there has been a…

Machine Learning · Computer Science 2024-11-11 Jaehyeon Son , Soochan Lee , Gunhee Kim

Deep learning with noisy labels is a challenging task. Recent prominent methods that build on a specific sample selection (SS) strategy and a specific semi-supervised learning (SSL) model achieved state-of-the-art performance. Intuitively,…

Machine Learning · Computer Science 2020-12-03 Zhuowei Wang , Jing Jiang , Bo Han , Lei Feng , Bo An , Gang Niu , Guodong Long