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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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…