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Atomic Motif Recognition in (Bio)Polymers: Benchmarks From the Protein Data Bank

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Publications associées (60)

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Diffusion Stochastic Optimization for Min-Max Problems

Ali H. Sayed, Haoyuan Cai

The optimistic gradient method is useful in addressing minimax optimization problems. Motivated by the observation that the conventional stochastic version suffers from the need for a large batch size on the order of O(ϵ-2) to achieve an ϵ-stationary solut ...

2025

Few-shot Learning for Efficient and Effective Machine Learning Model Adaptation

Arnout Jan J Devos

Machine learning (ML) enables artificial intelligent (AI) agents to learn autonomously from data obtained from their environment to perform tasks. Modern ML systems have proven to be extremely effective, reaching or even exceeding human intelligence. Altho ...

EPFL2024

TimEHR: Image-based Time Series Generation for Electronic Health Records

David Atienza Alonso, Anisoara Ionescu, Hojjat Karami

Time series in Electronic Health Records (EHRs) present unique challenges for generative models, such as irregular sampling, missing values, and high dimensionality. In this paper, we propose a novel generative adversarial network (GAN) model, TimEHR, to g ...

Institute of Electrical and Electronics Engineers (IEEE)2025

Computational drug development for membrane protein targets

Pierre Vogel, Henning Paul-Julius Stahlberg, Shuguang Yuan, Dongchun Ni, Babatunde Edukpe Ekundayo

The application of computational biology in drug development for membrane protein targets has experienced a boost from recent developments in deep learning-driven structure prediction, increased speed and resolution of structure elucidation, machine learni ...

2024

MetaCap: Meta-learning Priors from Multi-view Imagery for Sparse-View Human Performance Capture and Rendering

Pascal Fua

Faithful human performance capture and free-view rendering from sparse RGB observations is a long-standing problem in Vision and Graphics. The main challenges are the lack of observations and the inherent ambiguities of the setting, e.g. occlusions and dep ...

Springer Science and Business Media Deutschland GmbH2025

Topics in statistical physics of high-dimensional machine learning

Hugo Chao Cui

In the past few years, Machine Learning (ML) techniques have ushered in a paradigm shift, allowing the harnessing of ever more abundant sources of data to automate complex tasks. The technical workhorse behind these important breakthroughs arguably lies in ...

EPFL2024

Machine Learning Applications to Conditional Asset Pricing: Attention, CNNs, and Neural Tangent Kernels

Boris Kuznetsov

The first two chapters develop ML-based models that generate conditional SDF estimates efficiently using conditioning information sets, resulting in minimal pricing errors and superior Sharpe ratios compared to traditional conditional asset pricing models. ...

EPFL2025

Benchmarking machine-readable vectors of chemical reactions on computed activation barriers

Anne-Clémence Corminboeuf, Puck Elisabeth van Gerwen, Ksenia Briling, Yannick Calvino Alonso

In recent years, there has been a surge of interest in predicting computed activation barriers, to enable the acceleration of the automated exploration of reaction networks. Consequently, various predictive approaches have emerged, ranging from graph-based ...

Royal Soc Chemistry2024

Constructing multicomponent cluster expansions with machine-learning and chemical embedding

Yann Lorris Müller, Anirudh Raju Natarajan

Cluster expansions are commonly employed as surrogate models to link the electronic structure of an alloy to its finite-temperature properties. Using cluster expansions to model materials with several alloying elements is challenging due to a rapid increas ...

NATURE PORTFOLIO2025

Mechanisms and functions of protein S-acylation

Françoise Gisou van der Goot Grunberg, Laurence Gouzi Abrami, Francisco De Magalhães Sarmento Ribeiro De Mesquita

Over the past two decades, protein S-acylation (often referred to as S-palmitoylation) has emerged as an important regulator of vital signalling pathways. S-Acylation is a reversible post-translational modification that involves the attachment of a fatty a ...

Nature Portfolio2024

Automated Generation of Emotion-Conveying Sounds for Robots

Alaa Abboud

Sonic Human-Robot Interaction aims at equipping robots with the ability to convey emotions and intentions via sounds. Such sounds are typically handcrafted by human experts, which results in expensive, small sound sets with limited expressivity. To overcom ...

IEEE2025

Microsecond time-resolved cryo-electron microscopy

Ulrich Lorenz

Microsecond time-resolved cryo-electron microscopy has emerged as a novel approach for directly observing protein dynamics. By providing microsecond temporal and near-atomic spatial resolution, it has the potential to elucidate a wide range of dynamics tha ...

2024

Retrieval of Surface Solar Radiation through Implicit Albedo Recovery from Temporal Context

Michael Lehning, Devis Tuia, Yael Frischholz

To retrieve Surface Solar Radiation (SSR) from satellite images, a baseline reflectance of the observed ground in clear-sky conditions, also called background reflectance, is necessary to distinguish atmospheric absorption and scattering effects from surfa ...

2025

Recording physiological history of cells with chemical labeling

Kai Johnsson, Julien Hiblot

Recordings of the physiological history of cells provide insights into biological processes, yet obtaining such recordings is a challenge. To address this, we introduce a method to record transient cellular events for later analysis. We designed proteins t ...

American Association for the Advancement of Science2024

Stereo Hand-Object Reconstruction for Human-to-Robot Handover

Andrea Cavallaro

Jointly estimating hand and object shape facilitates the grasping task in human-to-robot handovers. Relying on handcrafted prior knowledge about the geometric structure of the object fails when generalising to unseen objects, and depth sensors fail to dete ...

2025

Structural heterogeneity of the ion and lipid channel TMEM16F

Horst Arthur Vogel

Transmembrane protein 16 F (TMEM16F) is a Ca2+-activated homodimer which functions as an ion channel and a phospholipid scramblase. Despite the availability of several TMEM16F cryogenic electron microscopy (cryo-EM) structures, the mechanism of activation ...

Nature Portfolio2024

Application of Deep Learning and Geospatial Analysis in Soil Loss Risk in the Moulouya Watershed, Morocco

Jérôme Chenal, Baraka Jean-Claude Munyaka

This study integrates deep learning and geospatial analysis to enhance soil loss estimation in the Moulouya Watershed, a region prone to erosion due to diverse topography and climatic conditions. Traditional models like the Universal Soil Loss Equation (US ...

AIP Publishing2025

Mitigating Object Dependencies: Improving Point Cloud Self-Supervised Learning through Object Exchange

Sabine Süsstrunk, Mathieu Salzmann, Tong Zhang

In the realm of point cloud scene understanding, particularly in indoor scenes, objects are arranged following human habits, resulting in objects of certain semantics being closely positioned and displaying notable inter-object correlations. This can creat ...

2024

Resonant inelastic X-ray scattering tools to count 5 f electrons of actinides and probe bond covalency

Marinella Mazzanti

The actinides possess a complex electronic structure, making their chemical and physical properties among the least understood in the periodic table. Advanced spectroscopic tools, able to obtain deep insights into the electronic structure and binding prope ...

NATURE PORTFOLIO2025

Structure-function analysis of the cyclic β-1,2-glucan synthase from Agrobacterium tumefaciens

Henning Paul-Julius Stahlberg, Dongchun Ni

The synthesis of complex sugars is a key aspect of microbial biology. Cyclic beta-1,2-glucan (C beta G) is a circular polysaccharide critical for host interactions of many bacteria, including major pathogens of humans (Brucella) and plants (Agrobacterium). ...

Nature Portfolio2024