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Recent computational advances enable protein design pipelines to run end-to-end on GPUs, yet their heterogeneous computational behaviors remain undercharacterized at the system level. We implement and profile a representative pipeline at…

Emerging Technologies · Computer Science 2026-01-13 Jinwoo Hwang , Yeongmin Hwang , Tadiwos Meaza , Hyeonbin Bae , Jongse Park

Mathematical programming formulations of influence diagrams can bridge the gap between representing and solving decision problems. However, they suffer from both modeling and computational limitations. Aiming to address modeling…

Optimization and Control · Mathematics 2025-06-19 Olli Herrala , Tommi Ekholm , Fabricio Oliveira

Clinical trials are notorious for their high failure rates and steep costs, leading to wasted time and resources spend, prolonged development timelines, and delayed patient access to new therapies. A key contributor to these failures is…

Quantum Physics · Physics 2026-01-19 Laia Domingo , Christine Johnson

Uncertainty quantification in automated image analysis is highly desired in many applications. Typically, machine learning models in classification or segmentation are only developed to provide binary answers; however, quantifying the…

Deep learning-based segmentation and classification are crucial to large-scale biomedical imaging, particularly for 3D data, where manual analysis is impractical. Although many methods exist, selecting suitable models and tuning parameters…

Computer Vision and Pattern Recognition · Computer Science 2026-02-18 David Exler , Joaquin Eduardo Urrutia Gómez , Martin Krüger , Maike Schliephake , John Jbeily , Mario Vitacolonna , Rüdiger Rudolf , Markus Reischl

Decision trees and their ensembles are endowed with a rich set of diagnostic tools for ranking and screening variables in a predictive model. Despite the widespread use of tree based variable importance measures, pinning down their…

Machine Learning · Statistics 2020-12-14 Jason M. Klusowski , Peter M. Tian

We study single-stage decision problems in which a subset of items with minimum total cost has to be selected at once from a given set of items, subject to two costs of each item -fixed and uncertain -and cardinality constraints for each…

Optimization and Control · Mathematics 2025-11-04 Antoine Lhomme , Nadia Brauner , Evgeny Gurevsky , Mikhail Kovalyov , Erwin Pesch

Consider a linear model $Y=X\beta+z$, where $X=X_{n,p}$ and $z\sim N(0,I_n)$. The vector $\beta$ is unknown but is sparse in the sense that most of its coordinates are $0$. The main interest is to separate its nonzero coordinates from the…

Statistics Theory · Mathematics 2015-03-20 Zheng Tracy Ke , Jiashun Jin , Jianqing Fan

Machine learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale and complexity. Given the interpolative nature of…

Decision circuits have been developed to perform efficient evaluation of influence diagrams [Bhattacharjya and Shachter, 2007], building on the advances in arithmetic circuits for belief network inference [Darwiche,2003]. In the process of…

Artificial Intelligence · Computer Science 2012-06-18 Debarun Bhattacharjya , Ross D. Shachter

Contemporary tasks of complex system simulation are often related to the issue of uncertainty management. It comes from the lack of information or knowledge about the simulated system as well as from restrictions of the model set being…

The paper is devoted to studying the performance of a computational pipeline, the number of simultaneously executing stages of which at each time is bounded from above by a fixed number. A look at the restriction as a structural hazard…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-07-31 Ahmet A. Husainov

Many applications of computational fluid dynamics require multiple simulations of a flow under different input conditions. In this paper, a numerical algorithm is developed to efficiently determine a set of such simulations in which the…

Numerical Analysis · Mathematics 2017-05-29 Max Gunzburger , Nan Jiang , Zhu Wang

Combining multi-site data can strengthen and uncover trends, but is a task that is marred by the influence of site-specific covariates that can bias the data and therefore any downstream analyses. Post-hoc multi-site correction methods…

Image and Video Processing · Electrical Eng. & Systems 2021-11-09 Pedro Borges , Richard Shaw , Thomas Varsavsky , Kerstin Klaser , David Thomas , Ivana Drobnjak , Sebastien Ourselin , M Jorge Cardoso

When evaluating computer vision systems, we are often concerned with performance on a task-specific evaluation measure such as the Intersection-Over-Union score used in the PASCAL VOC image segmentation challenge. Ideally, our systems would…

Computer Vision and Pattern Recognition · Computer Science 2014-12-11 Faruk Ahmed , Daniel Tarlow , Dhruv Batra

Probabilistic image segmentation encodes varying prediction confidence and inherent ambiguity in the segmentation problem. While different probabilistic segmentation models are designed to capture different aspects of segmentation…

Computer Vision and Pattern Recognition · Computer Science 2021-03-31 Steffen Czolbe , Kasra Arnavaz , Oswin Krause , Aasa Feragen

Survival models are used in various fields, such as the development of cancer treatment protocols. Although many statistical and machine learning models have been proposed to achieve accurate survival predictions, little attention has been…

Machine Learning · Computer Science 2020-03-26 Hrushikesh Loya , Pranav Poduval , Deepak Anand , Neeraj Kumar , Amit Sethi

We consider a problem of ranking and selection via simulation in the context of personalized decision making, where the best alternative is not universal but varies as a function of some observable covariates. The goal of ranking and…

Machine Learning · Statistics 2022-02-09 Haihui Shen , L. Jeff Hong , Xiaowei Zhang

Performance-based engineering for natural hazards facilitates the design and appraisal of structures with rigorous evaluation of their uncertain structural behavior under potentially extreme stochastic loads expressed in terms of failure…

Computational Engineering, Finance, and Science · Computer Science 2023-05-11 Srinivasan Arunachalam , Seymour M. J. Spence

Modern deterministic retrieval pipelines prioritize achieving state-of-the-art performance but often lack interpretability in decision-making. These models face challenges in assessing uncertainty, leading to overconfident predictions. To…

Information Retrieval · Computer Science 2024-02-06 EuiYul Song , Philhoon Oh , Sangryul Kim , James Thorne