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Computer experiments with quantitative and qualitative inputs are widely used to study many scientific and engineering processes. Much of the existing work has focused on design and modeling or process optimization for such experiments.…

统计方法学 · 统计学 2025-04-30 A. Shahrokhian , X. Deng , C. D. Lin , P. Ranjan , L. Xu

For classification with imbalanced class frequencies, i.e., imbalanced classification (IC), standard accuracy is known to be misleading as a performance measure. While most existing methods for IC resort to optimizing balanced accuracy…

机器学习 · 计算机科学 2025-07-22 Le Peng , Yash Travadi , Chuan He , Ying Cui , Ju Sun

Retrosynthesis, of which the goal is to find a set of reactants for synthesizing a target product, is an emerging research area of deep learning. While the existing approaches have shown promising results, they currently lack the ability to…

机器学习 · 计算机科学 2021-06-04 Hankook Lee , Sungsoo Ahn , Seung-Woo Seo , You Young Song , Eunho Yang , Sung-Ju Hwang , Jinwoo Shin

Face verification is a problem approached in the literature mainly using nonlinear class-specific subspace learning techniques. While it has been shown that kernel-based Class-Specific Discriminant Analysis is able to provide excellent…

计算机视觉与模式识别 · 计算机科学 2018-07-06 Guanqun Cao , Alexandros Iosifidis , Moncef Gabbouj

Class labels used for machine learning are relatable to each other, with certain class labels being more similar to each other than others (e.g. images of cats and dogs are more similar to each other than those of cats and cars). Such…

计算机视觉与模式识别 · 计算机科学 2021-03-26 Gautam Rajendrakumar Gare , John Michael Galeotti

Conventional inverse optimization inputs a solution and finds the parameters of an optimization model that render a given solution optimal. The literature mostly focuses on inferring the objective function in linear problems when accepted…

最优化与控制 · 数学 2024-10-10 Houra Mahmoudzadeh , Kimia Ghobadi

We present a new methodology for handling AI errors by introducing weakly supervised AI error correctors with a priori performance guarantees. These AI correctors are auxiliary maps whose role is to moderate the decisions of some previously…

Estimating what would be an individual's potential response to varying levels of exposure to a treatment is of high practical relevance for several important fields, such as healthcare, economics and public policy. However, existing methods…

机器学习 · 计算机科学 2020-12-11 Patrick Schwab , Lorenz Linhardt , Stefan Bauer , Joachim M. Buhmann , Walter Karlen

Reference classes in healthcare establish healthy norms, such as pediatric growth charts of height and weight, and are used to chart deviations from these norms which represent potential clinical risk. How the demographics of the reference…

A reliable deep learning system should be able to accurately express its confidence with respect to its predictions, a quality known as calibration. One of the most effective ways to produce reliable confidence estimates with a pre-trained…

机器学习 · 计算机科学 2024-10-10 Thomas P. Zollo , Zhun Deng , Jake C. Snell , Toniann Pitassi , Richard Zemel

We consider the problem of selective prediction (also known as reject option) in deep neural networks, and introduce SelectiveNet, a deep neural architecture with an integrated reject option. Existing rejection mechanisms are based mostly…

机器学习 · 计算机科学 2019-06-28 Yonatan Geifman , Ran El-Yaniv

Active learning is commonly used to train label-efficient models by adaptively selecting the most informative queries. However, most active learning strategies are designed to either learn a representation of the data (e.g., embedding or…

机器学习 · 计算机科学 2022-02-07 Namrata Nadagouda , Austin Xu , Mark A. Davenport

Assessing the fidelity and diversity of the generative model is a difficult but important issue for technological advancement. So, recent papers have introduced k-Nearest Neighbor ($k$NN) based precision-recall metrics to break down the…

机器学习 · 计算机科学 2024-01-25 Dogyun Park , Suhyun Kim

Within the last few years, there has been a move towards using statistical models in conjunction with neural networks with the end goal of being able to better answer the question, "what do our models know?". From this trend, classical…

机器学习 · 计算机科学 2021-12-03 Achintya Gopal

An algorithm to estimate the evolution of learning curves on the whole of a training data base, based on the results obtained from a portion and using a functional strategy, is introduced. We approximate iteratively the sought value at the…

计算与语言 · 计算机科学 2024-02-06 Manuel Vilares Ferro , Victor M. Darriba Bilbao , Francisco J. Ribadas Pena

Adversarial training instances can severely distort a model's behavior. This work investigates certified regression defenses, which provide guaranteed limits on how much a regressor's prediction may change under a poisoning attack. Our key…

机器学习 · 计算机科学 2023-01-02 Zayd Hammoudeh , Daniel Lowd

Accurate probabilistic predictions are essential for optimal decision making. While neural network miscalibration has been studied primarily in classification, we investigate this in the less-explored domain of regression. We conduct the…

机器学习 · 计算机科学 2023-06-08 Victor Dheur , Souhaib Ben Taieb

Across a variety of ranking tasks, researchers use reciprocal rank to measure the effectiveness for users interested in exactly one relevant item. Despite its widespread use, evidence suggests that reciprocal rank is brittle when…

信息检索 · 计算机科学 2023-06-14 Fernando Diaz

A machine learning model is calibrated if its predicted probability for an outcome matches the observed frequency for that outcome conditional on the model prediction. This property has become increasingly important as the impact of machine…

机器学习 · 计算机科学 2025-02-25 Muthu Chidambaram , Rong Ge

Recourse provides individuals who received undesirable labels (e.g., denied a loan) from algorithmic decision-making systems with a minimum-cost improvement suggestion to achieve the desired outcome. However, in practice, models often get…

机器学习 · 计算机科学 2026-02-06 Phone Kyaw , Kshitij Kayastha , Shahin Jabbari