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Predictions of nuclear properties far from measured data are inherently imprecise because of uncertainties in our knowledge of nuclear forces and in our treatment of quantum many-body effects in strongly-interacting systems. While the model…

Nuclear Theory · Physics 2022-09-14 Rodrigo Navarro Perez , Nicolas Schunck

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…

Machine Learning · Computer Science 2025-12-09 Jiannan Yang , Veronika Thost , Tengfei Ma

High-precision predictions of nuclear properties are a central objective of ab initio nuclear structure theory. However, state-of-the-art many-body methods rely on truncated model spaces to render the nuclear many-body problem tractable,…

Nuclear Theory · Physics 2026-04-10 Marco Knöll

Self-training is a simple yet effective method within semi-supervised learning. The idea is to iteratively enhance training data by adding pseudo-labeled data. Its generalization performance heavily depends on the selection of these…

Machine Learning · Statistics 2023-03-03 Julian Rodemann , Christoph Jansen , Georg Schollmeyer , Thomas Augustin

In self-supervised learning, one trains a model to solve a so-called pretext task on a dataset without the need for human annotation. The main objective, however, is to transfer this model to a target domain and task. Currently, the most…

Computer Vision and Pattern Recognition · Computer Science 2018-05-02 Mehdi Noroozi , Ananth Vinjimoor , Paolo Favaro , Hamed Pirsiavash

Molecular property prediction is essential for drug discovery. In recent years, deep learning methods have been introduced to this area and achieved state-of-the-art performances. However, most of existing methods ignore the intrinsic…

Biomolecules · Quantitative Biology 2022-11-04 Yuancheng Sun , Yimeng Chen , Weizhi Ma , Wenhao Huang , Kang Liu , Zhiming Ma , Wei-Ying Ma , Yanyan Lan

Self-supervised learning aims to learn image feature representations without the usage of manually annotated labels. It is often used as a precursor step to obtain useful initial network weights which contribute to faster convergence and…

Computer Vision and Pattern Recognition · Computer Science 2021-12-06 Peri Akiva , Matthew Purri , Matthew Leotta

For protein sequence datasets, unlabeled data has greatly outpaced labeled data due to the high cost of wet-lab characterization. Recent deep-learning approaches to protein prediction have shown that pre-training on unlabeled data can yield…

Machine Learning · Computer Science 2020-12-02 Pascal Sturmfels , Jesse Vig , Ali Madani , Nazneen Fatema Rajani

Semi-supervised algorithms aim to learn prediction functions from a small set of labeled observations and a large set of unlabeled observations. Because this framework is relevant in many applications, they have received a lot of interest…

Machine Learning · Computer Science 2025-02-17 Massih-Reza Amini , Vasilii Feofanov , Loic Pauletto , Lies Hadjadj , Emilie Devijver , Yury Maximov

Semi-supervised learning approaches train on small sets of labeled data along with large sets of unlabeled data. Self-training is a semi-supervised teacher-student approach that often suffers from the problem of "confirmation bias" that…

Machine Learning · Computer Science 2023-01-19 Aswathnarayan Radhakrishnan , Jim Davis , Zachary Rabin , Benjamin Lewis , Matthew Scherreik , Roman Ilin

Self-supervised learning has emerged as a method for utilizing massive unlabeled data for pre-training models, providing an effective feature extractor for various mobile sensing applications. However, when deployed to end-users, these…

Signal Processing · Electrical Eng. & Systems 2025-03-21 Hyungjun Yoon , Jaehyun Kwak , Biniyam Aschalew Tolera , Gaole Dai , Mo Li , Taesik Gong , Kimin Lee , Sung-Ju Lee

In the field of continual learning, models are designed to learn tasks one after the other. While most research has centered on supervised continual learning, there is a growing interest in unsupervised continual learning, which makes use…

Machine Learning · Computer Science 2024-07-18 Daniel Marczak , Sebastian Cygert , Tomasz Trzciński , Bartłomiej Twardowski

In self-supervised learning, a model is trained to solve a pretext task, using a data set whose annotations are created by a machine. The objective is to transfer the trained weights to perform a downstream task in the target domain. We…

Machine Learning · Computer Science 2021-10-22 Prathamesh Sonawane , Sparsh Drolia , Saqib Shamsi , Bhargav Jain

In order to train robust deep learning models, large amounts of labelled data is required. However, in the absence of such large repositories of labelled data, unlabeled data can be exploited for the same. Semi-Supervised learning aims to…

Machine Learning · Computer Science 2021-07-20 Soumyadeep Ghosh , Sanjay Kumar , Janu Verma , Awanish Kumar

Transductive learning is a supervised machine learning task in which, unlike in traditional inductive learning, the unlabelled data that require labelling are a finite set and are available at training time. Similarly to inductive learning…

Machine Learning · Computer Science 2025-07-31 Lorenzo Volpi , Alejandro Moreo , Fabrizio Sebastiani

Transformer-based large language models have remarkable potential to accelerate design optimization for applications such as drug development and materials discovery. Self-supervised pretraining of transformer models requires large-scale…

Machine Learning · Computer Science 2023-10-27 Pei Zhang , Logan Kearney , Debsindhu Bhowmik , Zachary Fox , Amit K. Naskar , John Gounley

He et al. (2018) have called into question the utility of pre-training by showing that training from scratch can often yield similar performance to pre-training. We show that although pre-training may not improve performance on traditional…

Machine Learning · Computer Science 2019-10-22 Dan Hendrycks , Kimin Lee , Mantas Mazeika

In this paper, we investigate the extrapolation capabilities of implicit deep learning models in handling unobserved data, where traditional deep neural networks may falter. Implicit models, distinguished by their adaptability in layer…

Machine Learning · Computer Science 2024-07-22 Juliette Decugis , Alicia Y. Tsai , Max Emerling , Ashwin Ganesh , Laurent El Ghaoui

Recently self supervised learning has seen explosive growth and use in variety of machine learning tasks because of its ability to avoid the cost of annotating large-scale datasets. This paper gives an overview for best self supervised…

Machine Learning · Computer Science 2022-10-21 Naman Goyal

In this paper, we study statistical properties of semi-supervised learning, which is considered as an important problem in the community of machine learning. In the standard supervised learning, only the labeled data is observed. The…

Machine Learning · Statistics 2012-04-19 Masanori Kawakita , Takafumi Kanamori