Concept

Automated machine learning

Related publications (263)

A Topological characterisation of Weisfeiler-Leman equivalence classes

Graph Neural Networks (GNNs) are learning models aimed at processing graphs and signals on graphs. The most popular and successful GNNs are based on message passing schemes. Such schemes inherently have limited expressive power when it comes to distinguish ...

2022

Impact of quantum-chemical metrics on the machine learning prediction of electron density

Ksenia Briling, Alberto Fabrizio

Machine learning (ML) algorithms have undergone an explosive development impacting every aspect of computational chemistry. To obtain reliable predictions, one needs to maintain a proper balance between the black-box nature of ML frameworks and the physics ...

AMER INST PHYSICS2021

Demonstrator Surface For Machine Learning Algorithm

In the ﬁeld of haptic feedback, LAI is working on a way of localizing impact vibrations through machine learning algorithms. In this semester project, the goal is to extend a one-dimensional system into a two-dimensional system with a demonstrator surface ...

2021

Predictably Unequal? The Effects of Machine Learning on Credit Markets

Andreas Fuster

Innovations in statistical technology, in functions including credit-screening, have raised concerns about distributional impacts across categories such as race. Theoretically, distributional effects of better statistical technology can come from greater f ...

2021

Fast screening of covariates in population models empowered by machine learning

Jan Sickmann Hesthaven, Nadia Terranova

One of the objectives of Pharmacometry (PMX) population modeling is the identification of significant and clinically relevant relationships between parameters and covariates. Here, we demonstrate how this complex selection task could benefit from supervise ...

2021

Uncertainty estimation for molecular dynamics and sampling

Michele Ceriotti, Federico Grasselli, Yongbin Zhuang, Venkat Kapil, Kevin Rossi, Edgar Albert Engel, Giulio Imbalzano

Machine-learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale, and complexity. Given the interpolative nature of these models, the r ...

2021

Predicting Superagers by Machine Learning Classification Based on the Functional Brain Connectome Using Resting-State Functional Magnetic Resonance Imaging

Chang-Hyun Park

Superagers are defined as older adults who have youthful memory performance comparable to that of middle-aged adults. Classifying superagers based on the brain connectome using machine learning modeling can provide important insights on the physiology unde ...

OXFORD UNIV PRESS INC2021

Lifelong Machine Learning with Data Efficiency and Knowledge Retention

Fei Mi

Artificial intelligence (AI) and machine learning (ML) have become de facto tools in many real-life applications to offer a wide range of benefits for individuals and our society. A classic ML model is typically trained with a large-scale static dataset in ...

EPFL2021

Cyber-Physical LPG Debutanizer Distillation Columns: Machine-Learning-Based Soft Sensors for Product Quality Monitoring

Jinzhi Lu

Refineries execute a series of interlinked processes, where the product of one unit serves as the input to another process. Potential failures within these processes affect the quality of the end products, operational efficiency, and revenue of the entire ...

2021

Loss landscape and symmetries in Neural Networks

Mario Geiger

Neural networks (NNs) have been very successful in a variety of tasks ranging from machine translation to image classification. Despite their success, the reasons for their performance are still not well-understood. This thesis explores two main themes: lo ...

EPFL2021

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