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Rigorous performance evaluation is essential for developing robust algorithms for high-throughput computational chemistry. Traditional benchmarking, however, often struggles to account for system-specific variability, making it difficult to…

Chemical Physics · Physics 2026-03-09 Rohit Goswami

Bayesian graphical modeling provides an appealing way to obtain uncertainty estimates when inferring network structures, and much recent progress has been made for Gaussian models. These models have been used extensively in applications to…

Methodology · Statistics 2012-07-06 Michael Finegold , Mathias Drton

Nowadays, the use of machine learning models is becoming a utility in many applications. Companies deliver pre-trained models encapsulated as application programming interfaces (APIs) that developers combine with third party components and…

Machine Learning · Computer Science 2020-01-01 José Mena , Oriol Pujol , Jordi Vitrià

This paper presents a novel algorithm, based upon the dependent Dirichlet process mixture model (DDPMM), for clustering batch-sequential data containing an unknown number of evolving clusters. The algorithm is derived via a low-variance…

Machine Learning · Computer Science 2013-11-04 Trevor Campbell , Miao Liu , Brian Kulis , Jonathan P. How , Lawrence Carin

The machine learning community has recently put effort into quantized or low-precision arithmetics to scale large models. This paper proposes performing probabilistic inference in the quantized, discrete parameter space created by these…

Machine Learning · Computer Science 2025-08-20 Aleksanteri Sladek , Martin Trapp , Arno Solin

In public health management there is a need to produce subnational estimates of health outcomes. Often, however, funds are not available to collect samples large enough to produce traditional survey sample estimates for each subnational…

Applications · Statistics 2008-12-18 Donald Malec , Peter Müller

In a Bayesian learning setting, the posterior distribution of a predictive model arises from a trade-off between its prior distribution and the conditional likelihood of observed data. Such distribution functions usually rely on additional…

Machine Learning · Statistics 2011-11-01 Andrea Schirru , Simone Pampuri , Giuseppe De Nicolao , Sean McLoone

In black-box function optimization, we need to consider not only controllable design variables but also uncontrollable stochastic environment variables. In such cases, it is necessary to solve the optimization problem by taking into account…

Machine Learning · Statistics 2022-02-03 Yu Inatsu , Shion Takeno , Masayuki Karasuyama , Ichiro Takeuchi

Controllers for autonomous systems that operate in safety-critical settings must account for stochastic disturbances. Such disturbances are often modelled as process noise, and common assumptions are that the underlying distributions are…

Systems and Control · Electrical Eng. & Systems 2022-12-08 Thom S. Badings , Alessandro Abate , Nils Jansen , David Parker , Hasan A. Poonawala , Marielle Stoelinga

Perception systems operate as a subcomponent of the general autonomy stack, and perception system designers often need to optimize performance characteristics while maintaining safety with respect to the overall closed-loop system. For this…

Robotics · Computer Science 2023-07-06 Sydney M. Katz , Anthony L. Corso , Esen Yel , Mykel J. Kochenderfer

In this work, a Gaussian process regression(GPR) model incorporated with given physical information in partial differential equations(PDEs) is developed: physics-assisted Gaussian processes(PAGP). The targets of this model can be divided…

Machine Learning · Statistics 2022-04-07 Jiahao Zhang , Shiqi Zhang , Guang Lin

The increased demand for online prediction and the growing availability of large data sets drives the need for computationally efficient models. While exact Gaussian process regression shows various favorable theoretical properties…

Machine Learning · Computer Science 2021-08-02 Armin Lederer , Alejandro Jose Ordonez Conejo , Korbinian Maier , Wenxin Xiao , Jonas Umlauft , Sandra Hirche

In the usual Bayesian setting, a full probabilistic model is required to link the data and parameters, and the form of this model and the inference and prediction mechanisms are specified via de Finetti's representation. In general, such a…

Methodology · Statistics 2026-01-21 Yu Luo , David A. Stephens , Daniel J. Graham , Emma J. McCoy

In this paper we introduce SemiGPC, a distribution-aware label refinement strategy based on Gaussian Processes where the predictions of the model are derived from the labels posterior distribution. Differently from other buffer-based…

Computer Vision and Pattern Recognition · Computer Science 2023-11-06 Abdelhak Lemkhenter , Manchen Wang , Luca Zancato , Gurumurthy Swaminathan , Paolo Favaro , Davide Modolo

Distributed Port-Hamiltonian (dPHS) theory provides a powerful framework for modeling physical systems governed by partial differential equations and has enabled a broad class of boundary control methodologies. Their effectiveness, however,…

Systems and Control · Electrical Eng. & Systems 2026-04-07 Thomas Beckers , Leonardo Colombo

The recently developed semi-parametric generalized linear model (SPGLM) offers more flexibility as compared to the classical GLM by including the baseline or reference distribution of the response as an additional parameter in the model.…

Methodology · Statistics 2024-04-09 Entejar Alam , Peter Müller , Paul J. Rathouz

Few-shot segmentation is a challenging dense prediction task, which entails segmenting a novel query image given only a small annotated support set. The key problem is thus to design a method that aggregates detailed information from the…

Computer Vision and Pattern Recognition · Computer Science 2022-09-01 Joakim Johnander , Johan Edstedt , Michael Felsberg , Fahad Shahbaz Khan , Martin Danelljan

We develop an automated variational method for inference in models with Gaussian process (GP) priors and general likelihoods. The method supports multiple outputs and multiple latent functions and does not require detailed knowledge of the…

Machine Learning · Statistics 2018-11-06 Edwin V. Bonilla , Karl Krauth , Amir Dezfouli

Surrogate models provide a quick-to-evaluate approximation to complex computational models and are essential for multi-query problems like design optimisation. The inputs of current deterministic computational models are usually…

Applications · Statistics 2024-10-15 Thomas A. Archbold , Ieva Kazlauskaite , Fehmi Cirak

The Bayesian nonparametric inference and Dirichlet process are popular tools in statistical methodologies. In this paper, we employ the Dirichlet process in hypothesis testing to propose a Bayesian nonparametric chi-squared goodness-of-fit…

Statistics Theory · Mathematics 2016-06-20 Reyhaneh Hosseini , Mahmoud Zarepour
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