相关论文: Is Self-Supervised Pretraining Good for Extrapolat…

Revealing and analyzing the various properties of materials is an essential and critical issue in the development of materials, including batteries, semiconductors, catalysts, and pharmaceuticals. Traditionally, these properties have been…

Recent advancements in machine learning have showcased its potential to significantly accelerate the discovery of new materials. Central to this progress is the development of rapidly computable property predictors, enabling the…

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.…

Machine learning approaches have become popular for molecular modeling tasks, including molecular force fields and properties prediction. Traditional supervised learning methods suffer from scarcity of labeled data for particular tasks,…

Self-supervised pretraining has been observed to be effective at improving feature representations for transfer learning, leveraging large amounts of unlabelled data. This review summarizes recent research into its usage in X-ray, computed…

Deep neural networks are typically trained under a supervised learning framework where a model learns a single task using labeled data. Instead of relying solely on labeled data, practitioners can harness unlabeled or related data to…

Discovery of high-performance materials and molecules requires identifying extremes with property values that fall outside the known distribution. Therefore, the ability to extrapolate to out-of-distribution (OOD) property values is…

Machine learning models have been progressively used for predicting materials properties. These models can be built using pre-existing data and are useful for rapidly screening the physicochemical space of a material, which is…

Self-supervised learning has emerged as a powerful approach for leveraging large-scale unlabeled data to improve model performance in various domains. In this paper, we explore masked self-supervised pre-training for text recognition…

Pretraining on large labeled datasets is a prerequisite to achieve good performance in many computer vision tasks like 2D object recognition, video classification etc. However, pretraining is not widely used for 3D recognition tasks where…

Semi-supervised learning techniques are gaining popularity due to their capability of building models that are effective, even when scarce amounts of labeled data are available. In this paper, we present a framework and specific tasks for…

Self-supervision provides effective representations for downstream tasks without requiring labels. However, existing approaches lag behind fully supervised training and are often not thought beneficial beyond obviating or reducing the need…

We report a deep generative model for regression tasks in materials informatics. The model is introduced as a component of a data imputer, and predicts more than 20 diverse experimental properties of organic molecules. The imputer is…

Deep neural networks produce state-of-the-art results when trained on a large number of labeled examples but tend to overfit when small amounts of labeled examples are used for training. Creating a large number of labeled examples requires…

The unsupervised pretraining of object detectors has recently become a key component of object detector training, as it leads to improved performance and faster convergence during the supervised fine-tuning stage. Existing unsupervised…

Predicting phenotypes from gene expression data is a crucial task in biomedical research, enabling insights into disease mechanisms, drug responses, and personalized medicine. Traditional machine learning and deep learning rely on…

The significant achievements of pre-trained models leveraging large volumes of data in the field of NLP and 2D vision inspire us to explore the potential of extensive data pre-training for 3D perception in autonomous driving. Toward this…

Self-training is a simple semi-supervised learning approach: Unlabelled examples that attract high-confidence predictions are labelled with their predictions and added to the training set, with this process being repeated multiple times.…

Self-supervised pretraining has been observed to improve performance in supervised learning tasks in medical imaging. This study investigates the utility of self-supervised pretraining prior to conducting supervised fine-tuning for the…

Self-training is one of the earliest and simplest semi-supervised methods. The key idea is to augment the original labeled dataset with unlabeled data paired with the model's prediction (i.e. the pseudo-parallel data). While self-training…