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Parameter-efficient transfer learning (PETL), i.e., fine-tuning a small portion of parameters, is an effective strategy for adapting pre-trained models to downstream domains. To further reduce the memory demand, recent PETL works focus on…

Computer Vision and Pattern Recognition · Computer Science 2024-03-12 Haiwen Diao , Bo Wan , Ying Zhang , Xu Jia , Huchuan Lu , Long Chen

Deep neural networks, costly to train and rich in intellectual property value, are increasingly threatened by model extraction attacks that compromise their confidentiality. Previous attacks have succeeded in reverse-engineering model…

Machine Learning · Computer Science 2024-06-17 Hanna Foerster , Robert Mullins , Ilia Shumailov , Jamie Hayes

We first pose the Unsupervised Progressive Learning (UPL) problem: an online representation learning problem in which the learner observes a non-stationary and unlabeled data stream, learning a growing number of features that persist over…

Machine Learning · Computer Science 2021-05-14 James Smith , Cameron Taylor , Seth Baer , Constantine Dovrolis

Large Language Models are typically trained on datasets collected from the web, which may inadvertently contain harmful or sensitive personal information. To address growing privacy concerns, unlearning methods have been proposed to remove…

Machine Learning · Computer Science 2025-10-23 Xiaoyu Wu , Yifei Pang , Terrance Liu , Zhiwei Steven Wu

For many large undirected models that arise in real-world applications, exact maximumlikelihood training is intractable, because it requires computing marginal distributions of the model. Conditional training is even more difficult, because…

Machine Learning · Computer Science 2012-07-09 Charles Sutton , Andrew McCallum

Neural network potentials (NNPs) are crucial for accelerating computational materials science by surrogating density functional theory (DFT) calculations. Improving their accuracy is possible through pre-training and fine-tuning, where an…

Machine Learning · Computer Science 2025-05-29 Yosuke Oyama , Yusuke Majima , Eiji Ohta , Yasufumi Sakai

Despite the numerous uses of semidefinite programming (SDP) and its universal solvability via interior point methods (IPMs), it is rarely applied to practical large-scale problems. This mainly owes to the computational cost of IPMs that…

Optimization and Control · Mathematics 2024-03-19 Yifan Ran , Stefan Vlaski , Wei Dai

We introduce a scheme for molecular simulations, the Deep Potential Molecular Dynamics (DeePMD) method, based on a many-body potential and interatomic forces generated by a carefully crafted deep neural network trained with ab initio data.…

Computational Physics · Physics 2018-04-11 Linfeng Zhang , Jiequn Han , Han Wang , Roberto Car , Weinan E

We introduce a constrained optimization framework for training transformers that behave like optimization descent algorithms. Specifically, we enforce layerwise descent constraints on the objective function and replace standard empirical…

Machine Learning · Computer Science 2026-01-27 Javier Porras-Valenzuela , Samar Hadou , Alejandro Ribeiro

Federated Learning enables diverse devices to collaboratively train a shared model while keeping training data locally stored, avoiding the need for centralized cloud storage. Despite existing privacy measures, concerns arise from potential…

Machine Learning · Computer Science 2024-07-29 Elie Atallah

Shallow ensembles provide a convenient strategy for uncertainty quantification in machine learning interatomic potentials, that is computationally efficient because the different ensemble members share a large part of the model weights. In…

Chemical Physics · Physics 2026-02-18 Moritz Schäfer , Matthias Kellner , Johannes Kästner , Michele Ceriotti

Machine-learned interatomic potentials (MLIPs) are increasingly used to replace computationally demanding electronic-structure calculations to model matter at the atomic scale. The most commonly used model architectures are constrained to…

Chemical Physics · Physics 2026-03-30 Filippo Bigi , Paolo Pegolo , Arslan Mazitov , Jonathan Schmidt , Michele Ceriotti

Deep Ensembles (DE) are a prominent approach for achieving excellent performance on key metrics such as accuracy, calibration, uncertainty estimation, and out-of-distribution detection. However, hardware limitations of real-world systems…

The training of diffusion-based models for image generation is predominantly controlled by a select few Big Tech companies, raising concerns about privacy, copyright, and data authority due to their lack of transparency regarding training…

Machine Learning · Computer Science 2024-06-19 Matthijs de Goede , Bart Cox , Jérémie Decouchant

Distributed model fitting refers to the process of fitting a mathematical or statistical model to the data using distributed computing resources, such that computing tasks are divided among multiple interconnected computers or nodes, often…

Computation · Statistics 2024-06-04 Xiaofei Wu , Rongmei Liang , Fabio Roli , Marcello Pelillo , Jing Yuan

Many pre-trained models (PTMs) are available in modern applications. Because different PTMs are often trained on different datasets, their performances can vary substantially for different new tasks, and the ranking of the candidates may…

Methodology · Statistics 2026-05-14 Ziwen Gao , Baihua He , Yuhong Yang

In response to recent data regulation requirements, machine unlearning (MU) has emerged as a critical process to remove the influence of specific examples from a given model. Although exact unlearning can be achieved through complete model…

Machine Learning · Computer Science 2024-01-30 Jinghan Jia , Jiancheng Liu , Parikshit Ram , Yuguang Yao , Gaowen Liu , Yang Liu , Pranay Sharma , Sijia Liu

Diffusion Models (DMs) utilize an iterative denoising process to transform random noise into synthetic data. Initally proposed with a UNet structure, DMs excel at producing images that are virtually indistinguishable with or without…

Computer Vision and Pattern Recognition · Computer Science 2024-06-18 Yuewei Yang , Jialiang Wang , Xiaoliang Dai , Peizhao Zhang , Hongbo Zhang

In this work we present a novel unsupervised framework for hard training example mining. The only input to the method is a collection of images relevant to the target application and a meaningful initial representation, provided e.g. by…

Computer Vision and Pattern Recognition · Computer Science 2018-03-30 Ahmet Iscen , Giorgos Tolias , Yannis Avrithis , Ondrej Chum

It is known belief propagation decoding variants of LDPC codes can be unrolled easily as neural networks after assigning differed weights to message passing edges flexibly. In this paper we focus on how to determine these weights, in the…

Information Theory · Computer Science 2022-08-10 Guangwen Li , Xiao Yu