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Computer-aided drug discovery is an essential component of modern drug development. Therein, deep learning has become an important tool for rapid screening of billions of molecules in silico for potential hits containing desired chemical…

This paper presents a new approach to non-parametric cluster analysis called Adaptive Weights Clustering (AWC). The idea is to identify the clustering structure by checking at different points and for different scales on departure from…

机器学习 · 统计学 2017-09-27 Kirill Efimov , Larisa Adamyan , Vladimir Spokoiny

Background: With the ever-increasing amount of medical imaging data, the demand for algorithms to assist clinicians has amplified. Unsupervised anomaly detection (UAD) models promise to aid in the crucial first step of disease detection.…

Due to the high cost of data annotation in supervised learning for person re-identification (Re-ID) methods, unsupervised learning becomes more attractive in the real world. The Bottom-up Clustering (BUC) approach based on hierarchical…

计算机视觉与模式识别 · 计算机科学 2020-04-23 Kaiwei Zeng

AUC is an important performance measure and many algorithms have been devoted to AUC optimization, mostly by minimizing a surrogate convex loss on a training data set. In this work, we focus on one-pass AUC optimization that requires only…

机器学习 · 计算机科学 2020-07-07 Wei Gao , Rong Jin , Shenghuo Zhu , Zhi-Hua Zhou

Despite strong zero-shot performance, SAM is unreliable under domain shift due to Mask-level Confidence Confusion (MCC), where a single IoU-based mask score fails to reflect pixel-wise reliability near boundaries. Motivated by the contrast…

计算机视觉与模式识别 · 计算机科学 2026-05-21 Hongyou Zhou , Marc Toussaint , Ling Shao , Zihan Ye

In many situations, the choice of an adequate similarity measure or metric on the feature space dramatically determines the performance of machine learning methods. Building automatically such measures is the specific purpose of…

机器学习 · 统计学 2020-02-24 Stéphan Clémençon , Robin Vogel

Optimization metrics are crucial for building recommendation systems at scale. However, an effective and efficient metric for practical use remains elusive. While Top-K ranking metrics are the gold standard for optimization, they suffer…

信息检索 · 计算机科学 2024-03-05 Wentao Shi , Chenxu Wang , Fuli Feng , Yang Zhang , Wenjie Wang , Junkang Wu , Xiangnan He

Many versions of cross-validation (CV) exist in the literature; and each version though has different variants. All are used interchangeably by many practitioners; yet, without explanation to the connection or difference among them. This…

机器学习 · 统计学 2022-05-31 Waleed A. Yousef

This paper proposes a Clustered Unit Commitment (CUC) formulation to accurately model flexibility requirements such as ramping, reserve, and startup/shutdown constraints. The CUC is commonly applied in large and long-term planning models to…

最优化与控制 · 数学 2019-06-21 German Morales-Espana , Diego A. Tejada-Arango

Complex survey data are usually collected following complex sampling designs. Accounting for the sampling design is essential to obtain unbiased estimates and valid inferences when analyzing complex survey data. The area under the receiver…

统计方法学 · 统计学 2026-03-31 Amaia Iparragirre , Thomas Lumley , Irantzu Barrio

Real-world machine learning deployments are characterized by mismatches between the source (training) and target (test) distributions that may cause performance drops. In this work, we investigate methods for predicting the target domain…

机器学习 · 计算机科学 2022-10-18 Saurabh Garg , Sivaraman Balakrishnan , Zachary C. Lipton , Behnam Neyshabur , Hanie Sedghi

Background: Medical decision-making impacts both individual and public health. Clinical scores are commonly used among a wide variety of decision-making models for determining the degree of disease deterioration at the bedside. AutoScore…

Subspace clustering is a growing field of unsupervised learning that has gained much popularity in the computer vision community. Applications can be found in areas such as motion segmentation and face clustering. It assumes that data…

机器学习 · 统计学 2019-11-12 Hankui Peng , Nicos G. Pavlidis

Dialogue acts (DAs) can represent conversational actions of tutors or students that take place during tutoring dialogues. Automating the identification of DAs in tutoring dialogues is significant to the design of dialogue-based intelligent…

计算与语言 · 计算机科学 2023-04-18 Jionghao Lin , Wei Tan , Ngoc Dang Nguyen , David Lang , Lan Du , Wray Buntine , Richard Beare , Guanliang Chen , Dragan Gasevic

In open set recognition, deep neural networks encounter object classes that were unknown during training. Existing open set classifiers distinguish between known and unknown classes by measuring distance in a network's logit space, assuming…

计算机视觉与模式识别 · 计算机科学 2021-03-04 Dimity Miller , Niko Sünderhauf , Michael Milford , Feras Dayoub

We propose a supervised anomaly detection method for data with inexact anomaly labels, where each label, which is assigned to a set of instances, indicates that at least one instance in the set is anomalous. Although many anomaly detection…

机器学习 · 统计学 2019-09-12 Tomoharu Iwata , Machiko Toyoda , Shotaro Tora , Naonori Ueda

Capacitated spatial clustering, a type of unsupervised machine learning method, is often used to tackle problems in compressing, classifying, logistic optimization and infrastructure optimization. Depending on the application at hand, a…

Several variants of reweighted risk functionals, such as focal loss, inverse focal loss, and the Area Under the Risk Coverage Curve (AURC), have been proposed for improving model calibration; yet their theoretical connections to calibration…

计算机视觉与模式识别 · 计算机科学 2026-01-30 Han Zhou , Sebastian G. Gruber , Teodora Popordanoska , Matthew B. Blaschko

We propose a novel approach to unsupervised learning by constructing a non-linear embedding of the data into a low-dimensional space followed by any conventional clustering algorithm. The embedding promotes clusterability of the data and is…

机器学习 · 计算机科学 2025-03-24 Malihehsadat Chavooshi , Alexander V. Mamonov
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