Publications associées à A Deep Learning Model for Chemical Shieldings in Molecular Organic Solids Including Anisotropy

Publications associées (10)

Overcoming Distribution Shifts and Imbalance Challenges in Representation Learning for Deep Regression Models

Deep learning has shown remarkable potential for industrial applications, particularly in predictive maintenance and condition monitoring. A key challenge in this domain is prognostics, specifically predicting the Remaining Useful Life (RUL) of assets - a ...

EPFL2025

On the Perspectives of Image-to-Lidar Constraints in Dynamic Network Optimisation

Thibaut Stoltz, Jan Skaloud, Davide Antonio Cucci, Laurent Valentin Jospin, Kyriaki Mouzakidou

The evolution of airborne mapping witnesses the introduction of hybrid lidar-camera systems to enhance data collection, i.e. to obtain simultaneously high-density point-cloud and texture. Yet, the common adjustment of both optical data streams is a nontriv ...

International Society for Photogrammetry and Remote Sensing2025

SaliencyMix plus : Noise-Minimized Image Mixing Method With Saliency Map in Data Augmentation

Zhixiong Jin

Data augmentation is vital in deep learning for enhancing model robustness by artificially expanding training datasets. However, advanced methods like CutMix blend images and assign labels based on pixel ratios, often introducing label noise by neglecting ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2025

Computational design of complex protein folds and soluble analogs of membrane proteins

Casper Alexander Goverde

Proteins are the molecular machines of life, driving essential biological processes such as enzymatic catalysis, cellular signaling, and immune responses. The ability to design entirely new proteins with desired structures and functions has immense implica ...

EPFL2025

Electronic Excited States from Physically Constrained Machine Learning

Michele Ceriotti, Jigyasa Nigam, Divya Suman

Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should be applied directly to predict the desired properties or combined explicitly w ...

2024

Understanding generalization and robustness in modern deep learning

Maksym Andriushchenko

In this thesis, we study two closely related directions: robustness and generalization in modern deep learning. Deep learning models based on empirical risk minimization are known to be often non-robust to small, worst-case perturbations known as adversari ...

EPFL2024

Leveraging large language models for predictive chemistry

Berend Smit, Philippe Schwaller, Kevin Maik Jablonka, Andres Adolfo Ortega Guerrero

Machine learning has transformed many fields and has recently found applications in chemistry and materials science. The small datasets commonly found in chemistry sparked the development of sophisticated machine learning approaches that incorporate chemic ...

Nature Portfolio2024

Using Motion Cues to Supervise Single-Frame Body Pose and Shape Estimation in Low Data Regimes

Pascal Fua, Mathieu Salzmann, Andrey Davydov

When enough annotated training data is available, supervised deep-learning. algorithms excel at estimating human body pose and shape using a single camera. The effects of too little such data being available can be mitigated by using other information sour ...

Journal of Machine Learning Research Inc.2024

From classification to segmentation with explainable AI: A study on crack detection and growth monitoring

Olga Fink, Florent Evariste Forest

Monitoring surface cracks in infrastructure is crucial for structural health monitoring. Automatic visual inspection offers an effective solution, especially in hard-to-reach areas. Machine learning approaches have proven their effectiveness but typically ...

2024

Learning-based Hand Gesture Classification using Channel Impulse Response with UWB

Clement Weihao Samanos, Han Miao, Andreas Peter Burg, Sitian Li

The channel impulse response (CIR) of the wireless propagation channel is influenced by the surrounding environment and thus can be used to retrieve environmental information such as location, the presence of objects, and the speed of objects. In this work ...

Institute of Electrical and Electronics Engineers Inc.2024