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Per-instance automated algorithm configuration and selection are gaining significant moments in evolutionary computation in recent years. Two crucial, sometimes implicit, ingredients for these automated machine learning (AutoML) methods are…

神经与进化计算 · 计算机科学 2023-01-25 Ana Nikolikj , Carola Doerr , Tome Eftimov

With machine learning being a popular topic in current computational materials science literature, creating representations for compounds has become common place. These representations are rarely compared, as evaluating their performance -…

机器学习 · 计算机科学 2023-05-26 Samantha Durdy , Michael Gaultois , Vladimir Gusev , Danushka Bollegala , Matthew J. Rosseinsky

Leveraging the large body of work devoted in recent years to describe redundancy and synergy in multivariate interactions among random variables, we propose a novel approach to quantify cooperative effects in feature importance, one of the…

数据分析、统计与概率 · 物理学 2025-03-14 Marlis Ontivero-Ortega , Luca Faes , Jesus M Cortes , Daniele Marinazzo , Sebastiano Stramaglia

Leave-one-out (LOO) prediction provides a principled, data-dependent measure of generalization, yet guarantees in fully transductive settings remain poorly understood beyond specialized models. We introduce Median of Level-Set Aggregation…

机器学习 · 计算机科学 2026-03-03 Jian Qian , Jiachen Xu

Preference alignment is pivotal for empowering large language models (LLMs) to generate helpful and harmless responses. However, the performance of preference alignment is highly sensitive to the prevalent noise in the preference data.…

机器学习 · 计算机科学 2024-05-29 Xize Liang , Chao Chen , Shuang Qiu , Jie Wang , Yue Wu , Zhihang Fu , Zhihao Shi , Feng Wu , Jieping Ye

We propose LOCO, an algorithm for large-scale ridge regression which distributes the features across workers on a cluster. Important dependencies between variables are preserved using structured random projections which are cheap to compute…

机器学习 · 统计学 2015-06-09 Christina Heinze , Brian McWilliams , Nicolai Meinshausen , Gabriel Krummenacher

Machine learning (ML) in the representation of molecular-orbital-based (MOB) features has been shown to be an accurate and transferable approach to the prediction of post-Hartree-Fock correlation energies. Previous applications of MOB-ML…

化学物理 · 物理学 2023-03-28 Lixue Cheng , Nikola B. Kovachki , Matthew Welborn , Thomas F. Miller

This study investigates the effectiveness of reinforcement learning (RL) fine-tuning techniques on a compact language model (Qwen2.5-0.5B Base) for two challenging tasks: instruction following and mathematical reasoning. We compare…

计算与语言 · 计算机科学 2025-07-29 Yifu Han , Geo Zhang

The escalating scale and cost of Large Language Models (LLMs) training necessitate accurate pre-training prediction of downstream task performance for comprehensive understanding of scaling properties. This is challenged by: 1) the…

计算与语言 · 计算机科学 2026-03-10 Chengyin Xu , Kaiyuan Chen , Xiao Li , Ke Shen , Chenggang Li

Reinforcement learning (RL)-based fine-tuning has emerged as a powerful approach for aligning diffusion models with black-box objectives. Proximal policy optimization (PPO) is a popular choice of method for policy optimization. While…

Reinforcement learning (RL) has emerged as an effective approach for enhancing the reasoning capabilities of large language models (LLMs), especially in scenarios where supervised fine-tuning (SFT) falls short due to limited…

机器学习 · 计算机科学 2026-04-15 Jian Xiong , Jingbo Zhou , Jingyong Ye , Qiang Huang , Dejing Dou

Federated learning (FL) is an emerging distributed machine learning paradigm that enables collaborative training of machine learning models over decentralized devices without exposing their local data. One of the major challenges in FL is…

分布式、并行与集群计算 · 计算机科学 2024-07-11 Md Sirajul Islam , Simin Javaherian , Fei Xu , Xu Yuan , Li Chen , Nian-Feng Tzeng

Recently, new methods for model assessment, based on subsampling and posterior approximations, have been proposed for scaling leave-one-out cross-validation (LOO) to large datasets. Although these methods work well for estimating predictive…

统计方法学 · 统计学 2020-08-12 Måns Magnusson , Michael Riis Andersen , Johan Jonasson , Aki Vehtari

Conformal prediction (CP) is an important tool for distribution-free predictive uncertainty quantification. Yet, a major challenge is to balance computational efficiency and prediction accuracy, particularly for multiple predictions. We…

机器学习 · 统计学 2025-04-17 Kiljae Lee , Yuan Zhang

A robust estimator for a wide family of mixtures of linear regression is presented. Robustness is based on the joint adoption of the Cluster Weighted Model and of an estimator based on trimming and restrictions. The selected model provides…

统计方法学 · 统计学 2015-02-05 L. A. Garcia-Escudero , A. Gordaliza , F. Greselin , S. Ingrassia , A. Mayo-Iscar

Traditional machine learning approaches assume that data comes from a single generating mechanism, which may not hold for most real life data. In these cases, the single mechanism assumption can result in suboptimal performance. We…

机器学习 · 计算机科学 2025-01-31 Mehmet Efe Lorasdagi , Ahmet Berker Koc , Ali Taha Koc , Suleyman Serdar Kozat

We propose a new algorithm called PLUTO for building logistic regression trees to binary response data. PLUTO can capture the nonlinear and interaction patterns in messy data by recursively partitioning the sample space. It fits a simple or…

机器学习 · 统计学 2014-11-26 Wenwen Zhang , Wei-Yin Loh

Offline reinforcement learning (RL) refers to the problem of learning policies entirely from a large batch of previously collected data. This problem setting offers the promise of utilizing such datasets to acquire policies without any…

机器学习 · 计算机科学 2020-11-24 Tianhe Yu , Garrett Thomas , Lantao Yu , Stefano Ermon , James Zou , Sergey Levine , Chelsea Finn , Tengyu Ma

The paper considers the problem of out-of-sample risk estimation under the high dimensional settings where standard techniques such as $K$-fold cross validation suffer from large biases. Motivated by the low bias of the leave-one-out cross…

统计方法学 · 统计学 2020-02-12 Kamiar Rahnama Rad , Arian Maleki

Image clustering is a very useful technique that is widely applied to various areas, including remote sensing. Recently, visual representations by self-supervised learning have greatly improved the performance of image clustering. To…

计算机视觉与模式识别 · 计算机科学 2022-09-27 Qinglin Li , Guoping Qiu
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