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Data-driven material models have many advantages over classical numerical approaches, such as the direct utilization of experimental data and the possibility to improve performance of predictions when additional data is available. One…
Identifying potential drug targets using metabolic modeling requires integrating multiple modeling methods and heterogenous biological datasets, which can be challenging without sophisticated tools. We developed COMO, a user-friendly…
Machine Learning Interatomic Potentials (MLIP) are a novel in silico approach for molecular property prediction, creating an alternative to disrupt the accuracy/speed trade-off of empirical force fields and density functional theory (DFT).…
Fetal health classification is a critical task in obstetrics, enabling early identification and management of potential health problems. However, it remains challenging due to data complexity and limited labeled samples. This research paper…
The adoption of digital systems in healthcare has resulted in the accumulation of vast electronic health records (EHRs), offering valuable data for machine learning methods to predict patient health outcomes. However, single-visit records…
The recently increased complexity of Machine Learning (ML) methods, led to the necessity to lighten both the research and industry development processes. ML pipelines have become an essential tool for experts of many domains, data…
Anti-money laundering (AML) actions and measurements are among the priorities of financial institutions, for which machine learning (ML) has shown to have a high potential. In this paper, we propose a comprehensive and systematic approach…
Automated machine learning (AutoML) aims for constructing machine learning (ML) pipelines automatically. Many studies have investigated efficient methods for algorithm selection and hyperparameter optimization. However, methods for ML…
End-to-end learning has become a widely applicable and studied problem in training predictive ML models to be aware of their impact on downstream decision-making tasks. These end-to-end models often outperform traditional methods that…
The successful application of machine learning (ML) methods becomes increasingly dependent on their interpretability or explainability. Designing explainable ML systems is instrumental to ensuring transparency of automated decision-making…
High-resolution manometry (HRM) is the primary procedure used to diagnose esophageal motility disorders. Its interpretation and classification includes an initial evaluation of swallow-level outcomes and then derivation of a study-level…
Background Predicting mortality and resource utilization from electronic health records (EHRs) is challenging yet crucial for optimizing patient outcomes and managing costs in intensive care unit (ICU). Existing approaches predominantly…
The computational prediction of the structure and stability of hybrid organic-inorganic interfaces provides important insights into the measurable properties of electronic thin film devices, coatings, and catalyst surfaces and plays an…
Machine learning (ML) has recently shown promising results in medical predictions using electronic health records (EHRs). However, since ML models typically have a limited capability in terms of input sizes, selecting specific medical…
Collaborative machine learning (CML) techniques, such as federated learning, have been proposed to train deep learning models across multiple mobile devices and a server. CML techniques are privacy-preserving as a local model that is…
In clinical practice, decision-making relies heavily on established protocols, often formalised as rules. Concurrently, Machine Learning (ML) models, trained on clinical data, aspire to integrate into medical decision-making processes.…
Frontier models increasingly adopt Mixture-of-Experts (MoE) architectures to achieve large-model performance at reduced cost. However, training MoE models on HPC platforms is hindered by large memory footprints, frequent large-scale…
Robust machine learning relies on access to data that can be used with standardized frameworks in important tasks and the ability to develop models whose performance can be reasonably reproduced. In machine learning for healthcare, the…
In real-world machine learning (ML) pipelines, datasets are continuously growing. Models must incorporate this new training data to improve generalization and adapt to potential distribution shifts. The cost of model retraining is…
This research introduces a new ML framework designed to enhance the robustness of out-of-sample hydrocarbon production forecasting, specifically addressing multivariate time series analysis. The proposed methodology integrates Productivity…