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Chemical kinetics mechanisms are essential for understanding, analyzing, and simulating complex combustion phenomena. In this study, a Neural Ordinary Differential Equation (Neural ODE) framework is employed to optimize kinetics parameters…

Chemical Physics · Physics 2022-09-07 Xingyu Su , Weiqi Ji , Jian An , Zhuyin Ren , Sili Deng , Chung K. Law

We characterize those ex-ante restrictions on the random utility model which lead to identification. We first identify a simple class of perturbations which transfer mass from a suitable pair of preferences to the pair formed by swapping…

Theoretical Economics · Economics 2024-08-14 Peter P. Caradonna , Christopher Turansick

Out-of-distribution (OOD) detection is essential for ensuring the reliability and safety of machine learning systems. In recent years, it has received increasing attention, particularly through post-hoc detection and training-based methods.…

Machine Learning · Statistics 2025-11-04 Mouïn Ben Ammar , David Brellmann , Arturo Mendoza , Antoine Manzanera , Gianni Franchi

A key challenge in causal inference from observational studies is the identification and estimation of causal effects in the presence of unmeasured confounding. In this paper, we introduce a novel approach for causal inference that…

Methodology · Statistics 2022-10-17 Ying Zhou , Dingke Tang , Dehan Kong , Linbo Wang

This paper presents a method for identifying mechanical parameters of robots or objects, such as their mass and friction coefficients. Key features are the use of off-the-shelf physics engines and the adaptation of a Bayesian optimization…

Robotics · Computer Science 2018-06-14 Shaojun Zhu , Andrew Kimmel , Kostas E. Bekris , Abdeslam Boularias

This paper proposes a hierarchical, multi-resolution framework for the identification of model parameters and their spatially variability from noisy measurements of the response or output. Such parameters are frequently encountered in…

Mathematical Physics · Physics 2015-05-13 P. S. Koutsourelakis

Online parameter identification is of importance, e.g., for model predictive control. Since the parameters have to be identified simultaneously to the process of the modeled system, dynamical update laws are used for state and parameter…

Numerical Analysis · Mathematics 2016-04-20 Romana Boiger , Barbara Kaltenbacher

Computational models are of increasing complexity and their behavior may in particular emerge from the interaction of different parts. Studying such models becomes then more and more difficult and there is a need for methods and tools…

Neural and Evolutionary Computing · Computer Science 2015-07-27 Stéphane Doncieux , Jean Liénard , Benoît Girard , Mohamed Hamdaoui , Joël Chaskalovic

Recent work has shown that finite mixture models with $m$ components are identifiable, while making no assumptions on the mixture components, so long as one has access to groups of samples of size $2m-1$ which are known to come from the…

Statistics Theory · Mathematics 2022-07-25 Robert A. Vandermeulen , René Saitenmacher

We present a data-driven approach to characterizing nonidentifiability of a model's parameters and illustrate it through dynamic as well as steady kinetic models. By employing Diffusion Maps and their extensions, we discover the minimal…

We explore the relationship among model fidelity, experimental design, and parameter estimation in sloppy models. We show that the approximate nature of mathematical models poses challenges for experimental design in sloppy models. In many…

Quantitative Methods · Quantitative Biology 2017-02-08 Andrew White , Malachi Tolman , Howard D. Thames , Hubert Rodney Withers , Kathy A. Mason , Mark K. Transtrum

This work proposes a multimodal diffeomorphic registration method using Neural Ordinary Differential Equations (Neural ODEs). Nonrigid registration algorithms exhibit tradeoffs between their accuracy, the computational complexity of their…

Computer Vision and Pattern Recognition · Computer Science 2025-12-30 Salvador Rodriguez-Sanz , Monica Hernandez

Computational models are powerful tools for understanding human cognition and behavior. They let us express our theories clearly and precisely, and offer predictions that can be subtle and often counter-intuitive. However, this same…

Multiple instance data are sets or multi-sets of unordered elements. Using metrics or distances for sets, we propose an approach to several multiple instance learning tasks, such as clustering (unsupervised learning), classification…

Machine Learning · Computer Science 2017-03-28 Quang N. Tran , Ba-Ngu Vo , Dinh Phung , Ba-Tuong Vo , Thuong Nguyen

Estimating the governing equation parameter values is essential for integrating experimental data with scientific theory to understand, validate, and predict the dynamics of complex systems. In this work, we propose a new method for…

Dynamical Systems · Mathematics 2025-06-27 Cristian López , Keegan J. Moore

Identifying cause-effect relations among variables is a key step in the decision-making process. While causal inference requires randomized experiments, researchers and policymakers are increasingly using observational studies to test…

Optimization and Control · Mathematics 2021-11-22 Md Saiful Islam , Md Sarowar Morshed , Md. Noor-E-Alam

When a missing-data mechanism is NMAR or non-ignorable, missingness is itself vital information and it must be taken into the likelihood, which, however, needs to introduce additional parameters to be estimated. The incompleteness of the…

Methodology · Statistics 2014-05-15 Kosuke Morikawa , Yutaka Kano

Ordinary differential equations (ODE) are widely used for modeling in Systems Biology. As most commonly only some of the kinetic parameters are measurable or precisely known, parameter estimation techniques are applied to parametrize the…

Quantitative Methods · Quantitative Biology 2016-01-19 Christoph Zimmer , Frank T. Bergmann , Sven Sahle

Background: Many published machine learning studies are irreproducible. Issues with methodology and not properly accounting for variation introduced by the algorithm themselves or their implementations are attributed as the main…

Machine Learning · Computer Science 2023-04-17 Odd Erik Gundersen , Kevin Coakley , Christine Kirkpatrick , Yolanda Gil

We present a novel method for determining multi-fractal properties from experimental data. It is based on maximising the likelihood that the given finite data set comes from a particular set of parameters in a multi-parameter family of well…

chao-dyn · Physics 2009-10-28 A. J. Roberts , A. Cronin