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Machine Learning is becoming more prevalent in science and engineering, but many approaches do not provide meaningful uncertainty estimates and predictions may also violate known physical knowledge. We propose a Bayesian framework to embed…
In this paper, we present our experience based on a reengineering project. The software project is to re-engineer the original system of a company to answer the new requirements and changed business functions. Reengineering is a process…
We tackle the problem of computing counterfactual explanations -- minimal changes to the features that flip an undesirable model prediction. We propose a solution to this question for linear Support Vector Machine (SVMs) models. Moreover,…
We describe and analyze algorithms for shape-constrained symbolic regression, which allows the inclusion of prior knowledge about the shape of the regression function. This is relevant in many areas of engineering -- in particular whenever…
Software product line (SPL) engineers put a lot of effort to ensure that, through the setting of a large number of possible configuration options, products are acceptable and well-tailored to customers' needs. Unfortunately, options and…
In this paper convexity constraints are derived for a background model of electron energy loss spectra (EELS) that is linear in the fitting parameters. The model outperforms a power-law both on experimental and simulated backgrounds,…
Most methods in explainable AI (XAI) focus on providing reasons for the prediction of a given set of features. However, we solve an inverse explanation problem, i.e., given the deviation of a label, find the reasons of this deviation. We…
Dimensionality reduction algorithms like principal component analysis (PCA) are workhorses of machine learning and neuroscience, but each has well-known limitations. Variants of PCA are simple and interpretable, but not flexible enough to…
In this work, we study the use of logistic regression in manufacturing failures detection. As a data set for the analysis, we used the data from Kaggle competition Bosch Production Line Performance. We considered the use of machine…
Data science projects often involve various machine learning (ML) methods that depend on data, code, and models. One of the key activities in these projects is the selection of a model or algorithm that is appropriate for the data analysis…
Case Management supports knowledge workers in performing knowledge-intensive processes in a flexible way. An essential ingredient of Case Management are template processes that are modified for a specific case to suit the context of that…
For many materials, macroscopic mechanical behavior is determined by an intricate microstructure. Understanding the relation between these two scales helps scientists and engineers design better materials. The relation which maps…
We investigate the construction of generative models capable of encoding physical constraints that can be hard to express explicitly. For the problem of inverse material design, where one seeks to design a material with a prescribed set of…
Variational design is a well-recognized CAD technique due to the increased design efficiency. It often presents as a parametric family of CAD models. Although effective, this way of working cannot handle design requirements that go beyond…
A feature-oriented product line is a family of programs that share a common set of features. A feature implements a stakeholder's requirement, represents a design decision and configuration option and, when added to a program, involves the…
When a linear model is adjusted to control for additional explanatory variables the sign of a fitted coefficient may reverse. Here these reversals are studied using coefficients of determination. The resulting theory can be used to…
Sensitivity analysis is an important tool used in many domains of computational science to either gain insight into the mathematical model and interaction of its parameters or study the uncertainty propagation through the input-output…
A software analysis is a computer program that takes some representation of a software product as input and produces some useful information about that product as output. A software product line encompasses \emph{many} software product…
The Bayesian approach to inverse problems is widely used in practice to infer unknown parameters from noisy observations. In this framework, the ensemble Kalman inversion has been successfully applied for the quantification of uncertainties…
The varying-coefficient model is a strong tool for the modelling of interactions in generalized regression. It is easy to apply if both the variables that are modified as well as the effect modifiers are known. However, in general one has a…