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Foundational Machine Learning Potentials can resolve the accuracy and transferability limitations of classical force fields. They enable microscopic insights into material behavior through Molecular Dynamics simulations, which can crucially…

Computational Physics · Physics 2025-12-04 Paul Fuchs , Julija Zavadlav

In modern recommendation systems, the standard pipeline involves training machine learning models on historical data to predict user behaviors and improve recommendations continuously. However, these data training loops can introduce…

Methodology · Statistics 2024-04-08 Nian Si

Explaining predictions based on multivariate time series data carries the additional difficulty of handling not only multiple features, but also time dependencies. It matters not only what happened, but also when, and the same feature could…

Machine Learning · Computer Science 2023-05-31 Joseph Enguehard

Model extrapolation to unseen flow is one of the biggest challenges facing data-driven turbulence modeling, especially for models with high dimensional inputs that involve many flow features. In this study we review previous efforts on…

Fluid Dynamics · Physics 2020-01-16 Shirui Luo , Jiahuan Cui , Madhu Vellakal , Jian Liu , Enyi Jiang , Seid Koric , Volodymyr Kindratenko

Machine learning algorithms have been used widely in various applications and areas. To fit a machine learning model into different problems, its hyper-parameters must be tuned. Selecting the best hyper-parameter configuration for machine…

Machine Learning · Computer Science 2022-10-06 Li Yang , Abdallah Shami

We develop an approach to efficiently grow neural networks, within which parameterization and optimization strategies are designed by considering their effects on the training dynamics. Unlike existing growing methods, which follow simple…

Machine Learning · Computer Science 2023-06-23 Xin Yuan , Pedro Savarese , Michael Maire

The pretrain-finetune paradigm usually improves downstream performance over training a model from scratch on the same task, becoming commonplace across many areas of machine learning. While pretraining is empirically observed to be…

Computer Vision and Pattern Recognition · Computer Science 2023-07-13 Gabriele Merlin , Vedant Nanda , Ruchit Rawal , Mariya Toneva

Language models have demonstrated remarkable performance in solving reasoning tasks; however, even the strongest models still occasionally make reasoning mistakes. Recently, there has been active research aimed at improving reasoning…

Computation and Language · Computer Science 2024-08-30 Tian Ye , Zicheng Xu , Yuanzhi Li , Zeyuan Allen-Zhu

Many key problems in machine learning and data science are routinely modeled as optimization problems and solved via optimization algorithms. With the increase of the volume of data and the size and complexity of the statistical models used…

Optimization and Control · Mathematics 2020-08-28 Filip Hanzely

Interesting theoretical problems of target search or threshold crossing, formally known as {\it first passage}, often arise in both diffusive transport problems as well as problems of chemical reaction kinetics. We study three systems…

Statistical Mechanics · Physics 2025-10-22 Hillol Kumar Barman , Pathik Das , Syed Yunus Ali

Sparse training is a natural idea to accelerate the training speed of deep neural networks and save the memory usage, especially since large modern neural networks are significantly over-parameterized. However, most of the existing methods…

Machine Learning · Computer Science 2021-11-11 Xiao Zhou , Weizhong Zhang , Zonghao Chen , Shizhe Diao , Tong Zhang

Residual networks, as discrete approximations of Ordinary Differential Equations (ODEs), have inspired significant advancements in neural network design, including multistep methods, high-order methods, and multi-particle dynamical systems.…

Computation and Language · Computer Science 2024-11-06 Bei Li , Tong Zheng , Rui Wang , Jiahao Liu , Qingyan Guo , Junliang Guo , Xu Tan , Tong Xiao , Jingbo Zhu , Jingang Wang , Xunliang Cai

This Ph.D. dissertation contains results in two different but related fields: the implementation of model predictive control (MPC) in embedded systems using first order methods, and restart schemes for accelerated first order methods…

Optimization and Control · Mathematics 2021-09-07 Pablo Krupa

Performative prediction is a framework that captures distribution shifts that occur during the training of machine learning models due to their deployment. As the trained model is used, data generation causes the model to evolve, leading to…

Machine Learning · Computer Science 2025-11-10 Xue Zheng , Tian Xie , Xuwei Tan , Aylin Yener , Xueru Zhang

Meta-learning of shared initialization parameters has shown to be highly effective in solving few-shot learning tasks. However, extending the framework to many-shot scenarios, which may further enhance its practicality, has been relatively…

Machine Learning · Computer Science 2022-02-17 Jaewoong Shin , Hae Beom Lee , Boqing Gong , Sung Ju Hwang

Ensemble of machine learning models yields improved performance as well as robustness. However, their memory requirements and inference costs can be prohibitively high. Knowledge distillation is an approach that allows a single model to…

Computer Vision and Pattern Recognition · Computer Science 2022-10-06 Zhengcong Fei , Shuman Tian , Junshi Huang , Xiaoming Wei , Xiaolin Wei

A machine learning configuration refers to a combination of preprocessor, learner, and hyperparameters. Given a set of configurations and a large dataset randomly split into training and testing set, we study how to efficiently select the…

Machine Learning · Computer Science 2018-12-18 Silu Huang , Chi Wang , Bolin Ding , Surajit Chaudhuri

The lack of mathematical tractability of Deep Neural Networks (DNNs) has hindered progress towards having a unified convergence analysis of training algorithms, in the general setting. We propose a unified optimization framework for…

Machine Learning · Computer Science 2018-05-24 Hadi Ghauch , Hossein Shokri-Ghadikolaei , Carlo Fischione , Mikael Skoglund

State-of-the-art rehearsal-free continual learning methods exploit the peculiarities of Vision Transformers to learn task-specific prompts, drastically reducing catastrophic forgetting. However, there is a tradeoff between the number of…

Computer Vision and Pattern Recognition · Computer Science 2023-08-21 Thomas De Min , Massimiliano Mancini , Karteek Alahari , Xavier Alameda-Pineda , Elisa Ricci

Accelerated first order methods, also called fast gradient methods, are popular optimization methods in the field of convex optimization. However, they are prone to suffer from oscillatory behaviour that slows their convergence when medium…

Optimization and Control · Mathematics 2022-01-28 Teodoro Alamo , Pablo Krupa , Daniel Limon