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In the pursuit of developing high-temperature alloys with improved properties for meeting the performance requirements of next-generation energy and aerospace demands, integrated computational materials engineering (ICME) has played a…

Applied Physics · Physics 2022-12-01 Baldur Steingrimsson , Xuesong Fan , Benjamin Adam , Peter K. Liaw

Improvement and adoption of generative machine learning models is rapidly accelerating, as exemplified by the popularity of LLMs (Large Language Models) for text, and diffusion models for image generation. As generative models become…

Machine Learning · Computer Science 2024-08-30 Matteo Marchi , Stefano Soatto , Pratik Chaudhari , Paulo Tabuada

We study the long-context limit of softmax self-attention with a fixed query and a random context of $n$ i.i.d. keys on the sphere, viewing the inverse temperature $\beta_n$ as the scaling parameter that decides whether attention…

Machine Learning · Computer Science 2026-05-12 Giuseppe Bruno , Shi Chen , Zhengjiang Lin , Yury Polyanskiy , Philippe Rigollet

Recently, fully-connected and convolutional neural networks have been trained to achieve state-of-the-art performance on a wide variety of tasks such as speech recognition, image classification, natural language processing, and…

Machine Learning · Computer Science 2015-02-24 Yichuan Tang

This paper investigates the one-epoch overfitting phenomenon in Click-Through Rate (CTR) models, where performance notably declines at the start of the second epoch. Despite extensive research, the efficacy of multi-epoch training over the…

Machine Learning · Computer Science 2024-07-03 Zhongxiang Fan , Zhaocheng Liu , Jian Liang , Dongying Kong , Han Li , Peng Jiang , Shuang Li , Kun Gai

Deep neural network training often involves stochastic optimization, meaning each run will produce a different model. This implies that hyperparameters of the training process, such as the random seed itself, can potentially have…

Machine Learning · Statistics 2025-04-17 Sinjini Banerjee , Tim Marrinan , Reilly Cannon , Tony Chiang , Anand D. Sarwate

We consider the problem of estimating inverse temperature parameter $\beta$ of an $n$-dimensional truncated Ising model using a single sample. Given a graph $G = (V,E)$ with $n$ vertices, a truncated Ising model is a probability…

Machine Learning · Computer Science 2026-02-17 Rohan Chauhan , Ioannis Panageas

Learning rate warm-up - increasing the learning rate at the beginning of training - has become a ubiquitous heuristic in modern deep learning, yet its theoretical foundations remain poorly understood. In this work, we provide a principled…

Machine Learning · Computer Science 2025-10-06 Foivos Alimisis , Rustem Islamov , Aurelien Lucchi

Softmax attention is a central component of transformer architectures, yet its nonlinear structure poses significant challenges for theoretical analysis. We develop a unified, measure-based framework for studying single-layer softmax…

Machine Learning · Computer Science 2025-12-15 Etienne Boursier , Claire Boyer

We consider the fundamental problem of learning the parameters of an undirected graphical model or Markov Random Field (MRF) in the setting where the edge weights are chosen at random. For Ising models, we show that a multiplicative-weight…

Machine Learning · Computer Science 2024-11-19 Gautam Chandrasekaran , Adam Klivans

We investigate the parameter space of transformer models trained on protein sequence data using a statistical mechanics framework, sampling the loss landscape at varying temperatures by Langevin dynamics to characterize the low-loss…

Disordered Systems and Neural Networks · Physics 2026-04-01 L. Ghiringhelli , A. Zambon , G. Tiana

Training data attribution (TDA) is concerned with understanding model behavior in terms of the training data. This paper draws attention to the common setting where one has access only to the final trained model, and not the training…

Machine Learning · Computer Science 2025-11-25 Dennis Wei , Inkit Padhi , Soumya Ghosh , Amit Dhurandhar , Karthikeyan Natesan Ramamurthy , Maria Chang

Given two networks with the same training loss on a dataset, when would they have drastically different test losses and errors? Better understanding of this question of generalization may improve practical applications of deep networks. In…

Machine Learning · Computer Science 2018-07-26 Qianli Liao , Brando Miranda , Andrzej Banburski , Jack Hidary , Tomaso Poggio

Cacioli (2026) showed that the K-way energy probe on standard discriminative predictive coding networks reduces approximately to a monotone function of the log-softmax margin. The reduction rests on five assumptions, including cross-entropy…

Computation and Language · Computer Science 2026-04-24 Jon-Paul Cacioli

Pre-training has been a popular learning paradigm in deep learning era, especially in annotation-insufficient scenario. Better ImageNet pre-trained models have been demonstrated, from the perspective of architecture, by previous research to…

Computer Vision and Pattern Recognition · Computer Science 2023-08-21 Andong Deng , Xingjian Li , Di Hu , Tianyang Wang , Haoyi Xiong , Chengzhong Xu

Recently, there has been a growing interest in applying machine learning methods to problems in engineering mechanics. In particular, there has been significant interest in applying deep learning techniques to predicting the mechanical…

Machine Learning · Computer Science 2023-03-15 Saeed Mohammadzadeh , Peerasait Prachaseree , Emma Lejeune

In this paper, we present SwiftLearn, a data-efficient approach to accelerate training of deep learning models using a subset of data samples selected during the warm-up stages of training. This subset is selected based on an importance…

With the development of deep neural language models, great progress has been made in information extraction recently. However, deep learning models often overfit on noisy data points, leading to poor performance. In this work, we examine…

Computation and Language · Computer Science 2022-11-22 Yongkang Li , Ming Zhang

Machine learning promises to accelerate the material discovery by enabling high-throughput prediction of desirable macro-properties from atomic-level descriptors or structures. However, the limited data available about precise values of…

Machine Learning · Computer Science 2024-11-28 L. Klochko , M. d'Aquin , A. Togo , L. Chaput

We develop a thermodynamic theory for machine learning (ML) systems. Similar to physical thermodynamic systems which are characterized by energy and entropy, ML systems possess these characteristics as well. This comparison inspire us to…

Machine Learning · Computer Science 2024-04-23 Dong Zhang