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An Elementary Flux Mode (EFM) is a pathway with minimum set of reactions that are functional in steady-state constrained space. Due to the high computational complexity of calculating EFMs, different approaches have been proposed to find…
Automated medical image segmentation inherently involves a certain degree of uncertainty. One key factor contributing to this uncertainty is the ambiguity that can arise in determining the boundaries of a target region of interest,…
This is the first report, to our knowledge, on a systematic method for constructing a large scale kinetic metabolic model with incomplete information on kinetic parametersr, and its initial application to the modeling of central metabolism…
Given the joint chances of a pair of random variables one can compute quantities of interest, like the mutual information. The Bayesian treatment of unknown chances involves computing, from a second order prior distribution and the data…
Identifying and calibrating quantitative dynamical models for physical quantum systems is important for a variety of applications. Here we present a closed-loop Bayesian learning algorithm for estimating multiple unknown parameters in a…
Uncertainty quantification plays an important role in achieving trustworthy and reliable learning-based computational imaging. Recent advances in generative modeling and Bayesian neural networks have enabled the development of…
Early detection of melanoma is crucial for improving survival rates. Current detection tools often utilize data-driven machine learning methods but often overlook the full integration of multiple datasets. We combine publicly available…
There has been a growing interest in deep learning-based prognostic and health management (PHM) for building end-to-end maintenance decision support systems, especially due to the rapid development of autonomous systems. However, the low…
We consider the problem of landmark matching between two unlabelled point sets, in particular where the number of points in each cloud may differ, and where points in each cloud may not have a corresponding match. We invoke a Bayesian…
Metabolomics is the study of small molecules in biological samples. Metabolomics data are typically high-dimensional and contain highly correlated variables and frequent missing values. Both missing at random (MAR) data, due to acquisition…
Plasma diagnostics often employ computerized tomography to estimate emissivity profiles from a finite, and often limited, number of line-integrated measurements. Decades of algorithmic refinement have brought considerable improvements, and…
Coarse graining techniques play an essential role in accelerating molecular simulations of systems with large length and time scales. Theoretically grounded bottom-up models are appealing due to their thermodynamic consistency with the…
Human decision-making in cognitive tasks and daily life exhibits considerable variability, shaped by factors such as task difficulty, individual preferences, and personal experiences. Understanding this variability across individuals is…
Uncertainty estimation aims to evaluate the confidence of a trained deep neural network. However, existing uncertainty estimation approaches rely on low-dimensional distributional assumptions and thus suffer from the high dimensionality of…
In recent years, manifold methods have moved into focus as tools for dimension reduction. Assuming that the high-dimensional data actually lie on or close to a low-dimensional nonlinear manifold, these methods have shown convincing results…
Large-scale longitudinal molecular profiling is now firmly established in biomedical research, prompted by the need to uncover coordinated biomarker trajectories reflecting the dynamics of underlying biological mechanisms and characterise…
Urban Building Energy Models (UBEM) are vital for enhancing energy efficiency and sustainability in urban planning. However, data scarcity often challenges their validation, particularly the lack of hourly measured data and the variety of…
Breast cancer is a heterogeneous disease with different molecular subtypes, clinical behavior, treatment responses as well as survival outcomes. The development of a reliable, accurate, available and inexpensive method to predict the…
We introduce a novel framework for the estimation of the posterior distribution over the weights of a neural network, based on a new probabilistic interpretation of adaptive optimisation algorithms such as AdaGrad and Adam. We demonstrate…
Evaluating new techniques on realistic datasets plays a crucial role in the development of ML research and its broader adoption by practitioners. In recent years, there has been a significant increase of publicly available unstructured data…