相关论文: Self-supervised learning for crystal property pred…

Deep learning (DL) models have now been widely used for high-performance material property prediction for properties such as formation energy and band gap. However, training such DL models usually requires a large amount of labeled data,…

Machine learning (ML) models have been widely successful in the prediction of material properties. However, large labeled datasets required for training accurate ML models are elusive and computationally expensive to generate. Recent…

Accurate prediction of material properties facilitates the discovery of novel materials with tailored functionalities. Deep learning models have recently shown superior accuracy and flexibility in capturing structure-property relationships.…

Self-supervised learning (SSL) is a method that learns the data representation by utilizing supervision inherent in the data. This learning method is in the spotlight in the drug field, lacking annotated data due to time-consuming and…

Semi-supervised learning (SSL) provides a powerful framework for leveraging unlabeled data when labels are limited or expensive to obtain. SSL algorithms based on deep neural networks have recently proven successful on standard benchmark…

Regression that predicts continuous quantity is a central part of applications using computational imaging and computer vision technologies. Yet, studying and understanding self-supervised learning for regression tasks - except for a…

Self-Supervised Learning (SSL) has been shown to learn useful and information-preserving representations. Neural Networks (NNs) are widely applied, yet their weight space is still not fully understood. Therefore, we propose to use SSL to…

Time series self-supervised learning (SSL) aims to exploit unlabeled data for pre-training to mitigate the reliance on labels. Despite the great success in recent years, there is limited discussion on the potential noise in the time series,…

Detecting structures at the particle scale within plastically deformed crystalline materials allows a better understanding of the occurring phenomena. While previous approaches mostly relied on applying hand-chosen criteria on different…

Semi-supervised learning (SSL) is a class of supervised learning tasks and techniques that also exploits the unlabeled data for training. SSL significantly reduces labeling related costs and is able to handle large data sets. The primary…

Ice-containing clouds strongly impact climate, but they are hard to model due to ice crystal habit (i.e., shape) diversity. We use self-supervised learning (SSL) to learn latent representations of crystals from ice crystal imagery. By…

Self-Supervised Learning (SSL) has emerged as a promising approach in computer vision, enabling networks to learn meaningful representations from large unlabeled datasets. SSL methods fall into two main categories: instance discrimination…

Decentralized learning has been advocated and widely deployed to make efficient use of distributed datasets, with an extensive focus on supervised learning (SL) problems. Unfortunately, the majority of real-world data are unlabeled and can…

Reliable molecular property prediction is essential for various scientific endeavors and industrial applications, such as drug discovery. However, the data scarcity, combined with the highly non-linear causal relationships between…

Self-supervised learning has gained significant attention in contemporary applications, particularly due to the scarcity of labeled data. While existing SSL methodologies primarily address feature variance and linear correlations, they…

Self-supervised learning (SSL) is a scalable way to learn general visual representations since it learns without labels. However, large-scale unlabeled datasets in the wild often have long-tailed label distributions, where we know little…

Self-supervised learning (SSL) plays a central role in molecular representation learning. Yet, many recent innovations in masking-based pretraining are introduced as heuristics and lack principled evaluation, obscuring which design choices…

Self-supervised learning (SSL) is a machine learning approach where the data itself provides supervision, eliminating the need for external labels. The model is forced to learn about the data structure or context by solving a pretext task.…

The success of large-scale pretraining in NLP and computer vision has catalyzed growing efforts to develop analogous foundation models for the physical sciences. However, pretraining strategies using atomistic data remain underexplored. To…

Recent work has shown the potential of graph neural networks to efficiently predict material properties, enabling high-throughput screening of materials. Training these models, however, often requires large quantities of labelled data,…