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Modern life sciences research is increasingly relying on artificial intelligence approaches to model biological systems, primarily centered around the use of machine learning (ML) models. Although ML is undeniably useful for identifying…

In this paper we present recent results on parametric analysis of biological models. The underlying method is based on the algorithms for computing trajectory sets of hybrid systems with polynomial dynamics. The method is then applied to…

Computational Engineering, Finance, and Science · Computer Science 2012-08-21 Romain Testylier , Thao Dang

Parameter inference and uncertainty quantification are important steps when relating mathematical models to real-world observations, and when estimating uncertainty in model predictions. However, methods for doing this can be…

Quantitative Methods · Quantitative Biology 2025-08-27 Michael J. Plank , Matthew J. Simpson

AutoML systems are currently rising in popularity, as they can build powerful models without human oversight. They often combine techniques from many different sub-fields of machine learning in order to find a model or set of models that…

Machine Learning · Statistics 2021-05-03 Florian Pfisterer , Stefan Coors , Janek Thomas , Bernd Bischl

Symbolic regression is a powerful system identification technique in industrial scenarios where no prior knowledge on model structure is available. Such scenarios often require specific model properties such as interpretability, robustness,…

Constructing an accurate system model for formal model verification can be both resource demanding and time-consuming. To alleviate this shortcoming, algorithms have been proposed for automatically learning system models based on observed…

Machine Learning · Computer Science 2012-12-18 Hua Mao , Yingke Chen , Manfred Jaeger , Thomas D. Nielsen , Kim G. Larsen , Brian Nielsen

Approximate Bayesian computing is a powerful likelihood-free method that has grown increasingly popular since early applications in population genetics. However, complications arise in the theoretical justification for Bayesian inference…

Computation · Statistics 2018-12-03 Suzanne Thornton , Wentao Li , Min-ge Xie

Computer models, aiming at simulating a complex real system, are often calibrated in the light of data to improve performance. Standard calibration methods assume that the optimal values of calibration parameters are invariant to the model…

Methodology · Statistics 2017-09-01 Georgios Karagiannis , Bledar A. Konomi , Guang Lin

Probabilistic programming has emerged as a powerful paradigm in statistics, applied science, and machine learning: by decoupling modelling from inference, it promises to allow modellers to directly reason about the processes generating…

Machine Learning · Statistics 2019-06-10 Maria I. Gorinova , Dave Moore , Matthew D. Hoffman

The past century has seen a steady increase in the need of estimating and predicting complex systems and making (possibly critical) decisions with limited information. Although computers have made possible the numerical evaluation of…

Statistics Theory · Mathematics 2017-01-13 Houman Owhadi , Clint Scovel

Approximate inference in dynamic systems is the problem of estimating the state of the system given a sequence of actions and partial observations. High precision estimation is fundamental in many applications like diagnosis, natural…

Artificial Intelligence · Computer Science 2012-06-18 Hannaneh Hajishirzi , Eyal Amir

In this article, we will research the Recommender System's implementation about how it works and the algorithms used. We will explain the Recommender System's algorithms based on mathematical principles, and find feasible methods for…

Information Retrieval · Computer Science 2023-04-27 Fu Chen , Junkang Zou , Lingfeng Zhou , Zekai Xu , Zhenyu Wu

Selecting the best code solution from multiple generated ones is an essential task in code generation, which can be achieved by using some reliable validators (e.g., developer-written test cases) for assistance. Since reliable test cases…

Software Engineering · Computer Science 2024-10-22 Mouxiang Chen , Zhongxin Liu , He Tao , Yusu Hong , David Lo , Xin Xia , Jianling Sun

In many statistical problems, the data distribution is specified through a generative process for which the likelihood function is analytically intractable, yet inference on the associated model parameters remains of primary interest. We…

Methodology · Statistics 2026-04-01 Haoyu Jiang , Yuexi Wang , Yun Yang

The goal of Science is to understand phenomena and systems in order to predict their development and gain control over them. In the scientific process of knowledge elaboration, a crucial role is played by models which, in the language of…

Statistical Mechanics · Physics 2018-10-25 Marco Baldovin , Fabio Cecconi , Massimo Cencini , Andrea Puglisi , Angelo Vulpiani

Automation is one of the cornerstones of contemporary material discovery. Bayesian optimization (BO) is an essential part of such workflows, enabling scientists to leverage prior domain knowledge into efficient exploration of a large…

Machine Learning · Computer Science 2024-05-30 Agustinus Kristiadi , Felix Strieth-Kalthoff , Marta Skreta , Pascal Poupart , Alán Aspuru-Guzik , Geoff Pleiss

Algorithms for machine learning-guided design, or design algorithms, use machine learning-based predictions to propose novel objects with desired property values. Given a new design task -- for example, to design novel proteins with high…

Machine Learning · Computer Science 2025-07-04 Clara Fannjiang , Ji Won Park

The problem of constructing a dataset for MLIP development which gives the maximum quality in the minimum amount of compute time is complex, and can be approached in a number of ways. We introduce a ``Bayesian selection" approach for…

Materials Science · Physics 2025-06-23 Thomas Rocke , James Kermode

We investigate methods for parameter learning from incomplete data that is not missing at random. Likelihood-based methods then require the optimization of a profile likelihood that takes all possible missingness mechanisms into account.…

Methodology · Statistics 2012-07-02 Manfred Jaeger

Human microbiome studies based on genetic sequencing techniques produce compositional longitudinal data of the relative abundances of microbial taxa over time, allowing to understand, through mixed-effects modeling, how microbial…

Methodology · Statistics 2025-12-23 John Barrera , Cristian Meza , Ana Arribas-Gil