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Machine learning in materials science faces challenges due to limited experimental data, as generating synthesis data is costly and time-consuming, especially with in-house experiments. Mining data from existing literature introduces issues…

计算物理 · 物理学 2025-03-11 Devi Dutta Biswajeet , Sara Kadkhodaei

Over the years, ensemble methods have become a staple of machine learning. Similarly, generalized linear models (GLMs) have become very popular for a wide variety of statistical inference tasks. The former have been shown to enhance out-…

机器学习 · 统计学 2016-11-22 Boris Hayete , Matthew Valko , Alex Greenfield , Raymond Yan

Gaussian Process (GP) models are popular statistical surrogates used for emulating computationally expensive computer simulators. The quality of a GP model fit can be assessed by a goodness of fit measure based on optimized likelihood.…

统计计算 · 统计学 2013-09-27 Andrew Butler , Thomas D. Humphries , Pritam Ranjan , Ronald D. Haynes

Learning probabilistic models that can estimate the density of a given set of samples, and generate samples from that density, is one of the fundamental challenges in unsupervised machine learning. We introduce a new generative model based…

机器学习 · 计算机科学 2020-06-11 Siavash A. Bigdeli , Geng Lin , Tiziano Portenier , L. Andrea Dunbar , Matthias Zwicker

Feature transformation enhances data representation by deriving new features from the original data. Generative AI offers potential for this task, but faces challenges in stable generation (consistent outputs) and valid generation…

机器学习 · 计算机科学 2025-06-12 Xinyuan Wang , Haoyue Bai , Nanxu Gong , Wangyang Ying , Sixun Dong , Xiquan Cui , Yanjie Fu

Score-based generative models (SGMs) have demonstrated remarkable synthesis quality. SGMs rely on a diffusion process that gradually perturbs the data towards a tractable distribution, while the generative model learns to denoise. The…

机器学习 · 统计学 2022-03-28 Tim Dockhorn , Arash Vahdat , Karsten Kreis

Direct prediction of material properties from microstructures through statistical models has shown to be a potential approach to accelerating computational material design with large design spaces. However, statistical modeling of highly…

计算物理 · 物理学 2017-12-12 Ruijin Cang , Hechao Li , Hope Yao , Yang Jiao , Yi Ren

Large Language Models (LLMs) have demonstrated great promise in generating code, especially when used inside an evolutionary computation framework to iteratively optimize the generated algorithms. However, in some cases they fail to…

神经与进化计算 · 计算机科学 2025-03-24 Niki van Stein , Anna V. Kononova , Lars Kotthoff , Thomas Bäck

While score-based generative models (SGMs) have achieved remarkable success in enormous image generation tasks, their mathematical foundations are still limited. In this paper, we analyze the approximation and generalization of SGMs in…

机器学习 · 统计学 2024-02-26 Frank Cole , Yulong Lu

Machine learning models encounter Out-of-Distribution (OoD) errors when the data seen at test time are generated from a different stochastic generator than the one used to generate the training data. One proposal to scale OoD detection to…

机器学习 · 统计学 2019-05-27 Hyunsun Choi , Eric Jang , Alexander A. Alemi

Large language models (LLMs) have achieved remarkable proficiency on solving diverse problems. However, their generalization ability is not always satisfying and the generalization problem is common for generative transformer models in…

机器学习 · 计算机科学 2024-08-20 Xingcheng Xu , Zihao Pan , Haipeng Zhang , Yanqing Yang

Technological advances have led to a proliferation of structured big data that have matrix-valued covariates. We are specifically motivated to build predictive models for multi-subject neuroimaging data based on each subject's brain imaging…

统计方法学 · 统计学 2015-05-15 Yue Hu , Genevera I. Allen

Can modifying the training data distribution guide optimizers toward solutions with improved generalization when training large language models (LLMs)? In this work, we theoretically analyze an in-context linear regression model with…

机器学习 · 计算机科学 2026-02-03 Tushaar Gangavarapu , Jiping Li , Christopher Vattheuer , Zhangyang Wang , Baharan Mirzasoleiman

Generalization is a central problem in Machine Learning. Indeed most prediction methods require careful calibration of hyperparameters usually carried out on a hold-out \textit{validation} dataset to achieve generalization. The main goal of…

机器学习 · 统计学 2021-02-18 Karim Lounici , Katia Meziani , Benjamin Riu

We consider the general problem of recovering a high-dimensional signal from noisy quantized measurements. Quantization, especially coarse quantization such as 1-bit sign measurements, leads to severe information loss and thus a good prior…

信号处理 · 电气工程与系统科学 2023-02-21 Xiangming Meng , Yoshiyuki Kabashima

Approximate dynamic programming has been used successfully in a large variety of domains, but it relies on a small set of provided approximation features to calculate solutions reliably. Large and rich sets of features can cause existing…

人工智能 · 计算机科学 2015-03-17 Marek Petrik , Gavin Taylor , Ron Parr , Shlomo Zilberstein

Correctly capturing the symmetry transformations of data can lead to efficient models with strong generalization capabilities, though methods incorporating symmetries often require prior knowledge. While recent advancements have been made…

Recent advances in tuning-free personalized image generation based on diffusion models are impressive. However, to improve subject fidelity, existing methods either retrain the diffusion model or infuse it with dense visual embeddings, both…

计算机视觉与模式识别 · 计算机科学 2024-03-25 Zhichao Wei , Qingkun Su , Long Qin , Weizhi Wang

Recent advancements in large language models (LLMs) have significantly improved code generation and program comprehension, accelerating the evolution of software engineering. Current methods primarily enhance model performance by leveraging…

计算与语言 · 计算机科学 2025-07-04 Weijie Lyu , Sheng-Jun Huang , Xuan Xia

Generative models excel in creating realistic images, yet their dependency on extensive datasets for training presents significant challenges, especially in domains where data collection is costly or challenging. Current data-efficient…

计算机视觉与模式识别 · 计算机科学 2024-03-19 Yuta Mimura