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Robustness is often regarded as a critical future challenge for real-world applications, where stability is essential. However, as models often learn tasks in a similar order, we hypothesize that easier tasks will be easier regardless of…
Data is scaling exponentially in fields ranging from genomics to neuroscience to economics. A central question is: can modern machine learning methods be applied to construct predictive models of natural systems like cells and brains based…
The present work investigates whether different quantification mechanisms (set comparison, vague quantification, and proportional estimation) can be jointly learned from visual scenes by a multi-task computational model. The motivation is…
The role of numerical accuracy in training and evaluating neural network-based potential energy surfaces is examined for different experimental observables. For observables that require third- and fourth-order derivatives of the total…
The goal of machine learning is to provide solutions which are trained by data or by experience coming from the environment. Many training algorithms exist and some brilliant successes were achieved. But even in structured environments for…
Estimating how a treatment affects different individuals, known as heterogeneous treatment effect estimation, is an important problem in empirical sciences. In the last few years, there has been a considerable interest in adapting machine…
Chemistry research has both high material and computational costs to conduct experiments. Institutions thus consider chemical data to be valuable and there have been few efforts to construct large public datasets for machine learning.…
The relative balance between physics and data within any physics-informed machine learner is an important modelling consideration to ensure that the benefits of both physics and data-based approaches are maximised. An over reliance on…
One aim shared by multiple settings, such as continual learning or transfer learning, is to leverage previously acquired knowledge to converge faster on the current task. Usually this is done through fine-tuning, where an implicit…
Despite enormous efforts over the last decades to establish the relationship between concrete proportioning and strength, a robust knowledge-based model for accurate concrete strength predictions is still lacking. As an alternative to…
Machine learning inference is increasingly being executed locally on mobile and embedded platforms, due to the clear advantages in latency, privacy and connectivity. In this paper, we present approaches for online resource management in…
Neural networks rely on learning synaptic weights. However, this overlooks other neural parameters that can also be learned and may be utilized by the brain. One such parameter is the delay: the brain exhibits complex temporal dynamics with…
Consistent experiment data are crucial to adjust parameters of physics models and to determine best estimates of observables. However, often experiment data are not consistent due to unrecognized systematic errors. Standard methods of…
Load forecasting is essential for the efficient, reliable, and cost-effective management of power systems. Load forecasting performance can be improved by learning the similarities among multiple entities (e.g., regions, buildings).…
Meta-learning aims to leverage information across related tasks to improve prediction on unlabeled data for new tasks when only a small number of labeled observations are available ("few-shot" learning). Increased task diversity is often…
Machine learning methods can be a valuable aid in the scientific process, but they need to face challenging settings where data come from inhomogeneous experimental conditions. Recent meta-learning methods have made significant progress in…
A major problem of machine-learning approaches in structural dynamics is the frequent lack of structural data. Inspired by the recently-emerging field of population-based structural health monitoring (PBSHM), and the use of transfer…
Machine learning has made important headway in helping to improve the treatment of quantum many-body systems. A domain of particular relevance are correlated inhomogeneous systems. What has been missing so far is a general, scalable…
Federated learning (FL) has emerged as a promising approach to training machine learning models across decentralized data sources while preserving data privacy, particularly in manufacturing and shared production environments. However, the…
We train an equivariant machine learning model to predict energies and forces for a real-world study of hydrogen combustion under conditions of finite temperature and pressure. This challenging case for reactive chemistry illustrates that…