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To perform recognition, molecules must locate and specifically bind their targets within a noisy biochemical environment with many look-alikes. Molecular recognition processes, especially the induced-fit mechanism, are known to involve…

Biomolecules · Quantitative Biology 2010-07-27 Yonatan Savir , Tsvi Tlusty

Stochastic processes offer a flexible mathematical formalism to model and reason about systems. Most analysis tools, however, start from the premises that models are fully specified, so that any parameters controlling the system's dynamics…

Systems and Control · Computer Science 2017-01-11 Luca Bortolussi , Guido Sanguinetti

We propose a method for maximizing a partial area under a receiver operating characteristic (ROC) curve (pAUC) for binary classification tasks. In binary classification tasks, accuracy is the most commonly used as a measure of classifier…

Machine Learning · Statistics 2018-06-14 Naonori Ueda , Akinori Fujino

Recent works have proposed optimal subsampling algorithms to improve computational efficiency in large datasets and to design validation studies in the presence of measurement error. Existing approaches generally fall into two categories:…

Methodology · Statistics 2025-12-25 Jasper B. Yang , Thomas Lumley , Bryan E. Shepherd , Pamela A. Shaw

AUC (Area under the ROC curve) is an important performance measure for applications where the data is highly imbalanced. Learning to maximize AUC performance is thus an important research problem. Using a max-margin based surrogate loss…

Artificial Intelligence · Computer Science 2016-12-28 Vishal Kakkar , Shirish K. Shevade , S Sundararajan , Dinesh Garg

The Area Under the ROC Curve (AUC) is a widely used performance metric for binary classifiers. However, as a global ranking statistic, the AUC aggregates model behavior over the entire dataset, masking localized weaknesses in specific…

Applications · Statistics 2025-08-12 Agus Sudjianto , Alice J. Liu

Interpretability is a pressing issue for decision systems. Many post hoc methods have been proposed to explain the predictions of a single machine learning model. However, business processes and decision systems are rarely centered around a…

Machine Learning · Computer Science 2023-03-22 Gianluigi Lopardo , Damien Garreau , Frederic Precioso , Greger Ottosson

The need for accurate SQL progress estimation in the context of decision support administration has led to a number of techniques proposed for this task. Unfortunately, no single one of these progress estimators behaves robustly across the…

Databases · Computer Science 2012-01-04 Arnd Christian König , Bolin Ding , Surajit Chaudhuri , Vivek Narasayya

Machine learning models that utilize patient data across time (rather than just the most recent measurements) have increased performance for many risk stratification tasks in the intensive care unit. However, many of these models and their…

Machine Learning · Computer Science 2021-09-24 Nari Johnson , Sonali Parbhoo , Andrew Slavin Ross , Finale Doshi-Velez

Modern statistical learning techniques have often emphasized prediction performance over interpretability, giving rise to "black box" models that may be difficult to understand, and to generalize to other settings. We conceptually divide a…

Methodology · Statistics 2019-09-16 Wenjia Wang , Yi-Hui Zhou

With the rise of the digital economy and an explosion of available information about consumers, effective personalization of goods and services has become a core business focus for companies to improve revenues and maintain a competitive…

Machine Learning · Computer Science 2022-11-04 Zhaonan Qu , Isabella Qian , Zhengyuan Zhou

Machine learning models with both good predictability and high interpretability are crucial for decision support systems. Linear regression is one of the most interpretable prediction models. However, the linearity in a simple linear…

Machine Learning · Statistics 2022-04-29 Lkhagvadorj Munkhdalai , Tsendsuren Munkhdalai , Keun Ho Ryu

Models often need to be constrained to a certain size for them to be considered interpretable. For example, a decision tree of depth 5 is much easier to understand than one of depth 50. Limiting model size, however, often reduces accuracy.…

Machine Learning · Computer Science 2020-07-02 Abhishek Ghose , Balaraman Ravindran

Model interpretation is one of the key aspects of the model evaluation process. The explanation of the relationship between model variables and outputs is relatively easy for statistical models, such as linear regressions, thanks to the…

Machine Learning · Computer Science 2013-12-05 Anna Palczewska , Jan Palczewski , Richard Marchese Robinson , Daniel Neagu

As the field of data analysis grows rapidly due to the large amounts of data being generated, effective data classification has become increasingly important. This paper introduces the RUle Mutation Classifier (RUMC), which represents a…

Machine Learning · Computer Science 2024-12-12 Melvin Mokhtari

We propose a method that enables practitioners to conveniently incorporate custom non-decomposable performance metrics into differentiable learning pipelines, notably those based upon neural network architectures. Our approach is based on…

Machine Learning · Computer Science 2020-03-04 Rizal Fathony , J. Zico Kolter

Two different approaches to analysis of data from diagnostic biomarker studies are commonly employed. Logistic regression is used to fit models for probability of disease given marker values, while ROC curves and risk distributions are used…

Applications · Statistics 2013-12-02 Ying Huang , Margaret S. Pepe , Ziding Feng

As a contribution to interpretable machine learning research, we develop a novel optimization framework for learning accurate and sparse two-level Boolean rules. We consider rules in both conjunctive normal form (AND-of-ORs) and disjunctive…

Machine Learning · Statistics 2016-06-21 Guolong Su , Dennis Wei , Kush R. Varshney , Dmitry M. Malioutov

Fair classification is a critical challenge that has gained increasing importance due to international regulations and its growing use in high-stakes decision-making settings. Existing methods often rely on adversarial learning or…

Machine Learning · Computer Science 2025-10-14 Alberto Sinigaglia , Davide Sartor , Marina Ceccon , Gian Antonio Susto

Interpretability is crucial for machine learning algorithms in high-stakes medical applications. However, high-performing neural networks typically cannot explain their predictions. Post-hoc explanation methods provide a way to understand…

Computer Vision and Pattern Recognition · Computer Science 2025-11-14 Susu Sun , Stefano Woerner , Andreas Maier , Lisa M. Koch , Christian F. Baumgartner