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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,…

Chemical Physics · Physics 2022-11-29 Xiang Gao , Weihao Gao , Wenzhi Xiao , Zhirui Wang , Chong Wang , Liang Xiang

Pretraining large language models effectively requires strategic data selection, blending and ordering. However, key details about data mixtures especially their scalability to longer token horizons and larger model sizes remain…

Computation and Language · Computer Science 2024-12-23 Steven Feng , Shrimai Prabhumoye , Kezhi Kong , Dan Su , Mostofa Patwary , Mohammad Shoeybi , Bryan Catanzaro

Deep learning models have achieved tremendous success in most of the industries in recent years. The evolution of these models has also led to an increase in the model size and energy requirement, making it difficult to deploy in production…

Machine Learning · Computer Science 2024-07-24 Aayush Saxena , Arit Kumar Bishwas , Ayush Ashok Mishra , Ryan Armstrong

Pre-training representations (a.k.a. foundation models) has recently become a prevalent learning paradigm, where one first pre-trains a representation using large-scale unlabeled data, and then learns simple predictors on top of the…

Machine Learning · Computer Science 2023-03-02 Zhenmei Shi , Jiefeng Chen , Kunyang Li , Jayaram Raghuram , Xi Wu , Yingyu Liang , Somesh Jha

Although larger datasets are crucial for training large deep models, the rapid growth of dataset size has brought a significant challenge in terms of considerable training costs, which even results in prohibitive computational expenses.…

Computer Vision and Pattern Recognition · Computer Science 2025-08-06 Sheng-Feng Yu , Jia-Jiun Yao , Wei-Chen Chiu

This dissertation establishes the contexture theory to mathematically characterize the mechanism of representation learning, or pretraining. Despite the remarkable empirical success of foundation models, it is not very clear what…

Machine Learning · Computer Science 2025-04-29 Runtian Zhai

In recent years, domains such as natural language processing and image recognition have popularized the paradigm of using large datasets to pretrain representations that can be effectively transferred to downstream tasks. In this work we…

Machine Learning · Computer Science 2023-10-26 David Brandfonbrener , Ofir Nachum , Joan Bruna

Time-series representation learning can extract representations from data with temporal dynamics and sparse labels. When labeled data are sparse but unlabeled data are abundant, contrastive learning, i.e., a framework to learn a latent…

Machine Learning · Computer Science 2023-03-03 Heejeong Choi , Pilsung Kang

In recent years, representation learning has become the research focus of the machine learning community. Large-scale neural networks are a crucial step toward achieving general intelligence, with their success largely attributed to their…

Machine Learning · Computer Science 2025-04-22 Lifeng Gu

Learning useful representations with little or no supervision is a key challenge in artificial intelligence. We provide an in-depth review of recent advances in representation learning with a focus on autoencoder-based models. To organize…

Machine Learning · Computer Science 2018-12-13 Michael Tschannen , Olivier Bachem , Mario Lucic

We study how much a linear program (LP) can be compressed when solved repeatedly, given prior knowledge about its objective function. Existing data-driven projection methods learn low-dimensional surrogate LPs with approximate…

Optimization and Control · Mathematics 2026-05-26 Yuhan Ye , Omar Bennouna

Continual learning (CL) in large language models (LLMs) is an evolving domain that focuses on developing efficient and sustainable training strategies to adapt models to emerging knowledge and achieve robustness in dynamic environments. Our…

Computation and Language · Computer Science 2025-02-13 Çağatay Yıldız , Nishaanth Kanna Ravichandran , Nitin Sharma , Matthias Bethge , Beyza Ermis

Large-scale pretraining instills large amounts of knowledge in deep neural networks. This, in turn, improves the generalization behavior of these models in downstream tasks. What exactly are the limits to the generalization benefits of…

Computation and Language · Computer Science 2022-12-23 A. Emin Orhan

Many efforts have been made to facilitate natural language processing tasks with pre-trained language models (LMs), and brought significant improvements to various applications. To fully leverage the nearly unlimited corpora and capture…

Computation and Language · Computer Science 2018-09-11 Liyuan Liu , Xiang Ren , Jingbo Shang , Jian Peng , Jiawei Han

Highly overparametrized neural networks can display curiously strong generalization performance - a phenomenon that has recently garnered a wealth of theoretical and empirical research in order to better understand it. In contrast to most…

Machine Learning · Computer Science 2020-09-29 Jorg Bornschein , Francesco Visin , Simon Osindero

Dimensionality reduction is an effective method for learning high-dimensional data, which can provide better understanding of decision boundaries in human-readable low-dimensional subspace. Linear methods, such as principal component…

Machine Learning · Computer Science 2020-07-09 Koji Maruhashi , Heewon Park , Rui Yamaguchi , Satoru Miyano

Normalization and scaling are fundamental preprocessing steps in time series modeling, yet their role in Transformer-based models remains underexplored from a theoretical perspective. In this work, we present the first formal analysis of…

Machine Learning · Computer Science 2026-02-20 Sofiane Ennadir , Tianze Wang , Oleg Smirnov , Sahar Asadi , Lele Cao

Recent advances in self-supervised learning have highlighted the efficacy of data augmentation in learning data representation from unlabeled data. Training a linear model atop these enhanced representations can yield an adept classifier.…

Machine Learning · Statistics 2024-05-07 Shulei Wang

The great success of deep learning heavily relies on increasingly larger training data, which comes at a price of huge computational and infrastructural costs. This poses crucial questions that, do all training data contribute to model's…

Machine Learning · Computer Science 2023-02-28 Shuo Yang , Zeke Xie , Hanyu Peng , Min Xu , Mingming Sun , Ping Li

We investigate the generalization properties of a self-training algorithm with halfspaces. The approach learns a list of halfspaces iteratively from labeled and unlabeled training data, in which each iteration consists of two steps:…

Machine Learning · Computer Science 2022-02-16 Lies Hadjadj , Massih-Reza Amini , Sana Louhichi , Alexis Deschamps