Search Results for author: Maria Rodriguez Martinez

Found 7 papers, 4 papers with code

DockGame: Cooperative Games for Multimeric Rigid Protein Docking

1 code implementation9 Oct 2023 Vignesh Ram Somnath, Pier Giuseppe Sessa, Maria Rodriguez Martinez, Andreas Krause

Most traditional and deep learning methods for docking have focused mainly on binary docking, following either a search-based, regression-based, or generative modeling paradigm.

Protein Design

Adaptive Conformal Regression with Jackknife+ Rescaled Scores

no code implementations31 May 2023 Nicolas Deutschmann, Mattia Rigotti, Maria Rodriguez Martinez

We address this with a new adaptive method based on rescaling conformal scores with an estimate of local score distribution, inspired by the Jackknife+ method, which enables the use of calibration data in conformal scores without breaking calibration-test exchangeability.

Conformal Prediction Prediction Intervals +1

Aligned Diffusion Schrödinger Bridges

2 code implementations22 Feb 2023 Vignesh Ram Somnath, Matteo Pariset, Ya-Ping Hsieh, Maria Rodriguez Martinez, Andreas Krause, Charlotte Bunne

Diffusion Schr\"odinger bridges (DSB) have recently emerged as a powerful framework for recovering stochastic dynamics via their marginal observations at different time points.

Practical and scalable simulations of non-Markovian stochastic processes

1 code implementation9 Dec 2022 Aurelien Pelissier, Miroslav Phan, Niko Beerenwinkel, Maria Rodriguez Martinez

While analytic solutions often cannot be derived, existing simulation frameworks can generate stochastic trajectories compatible with the dynamical laws underlying the random phenomena.

Attribute Epidemiology +1

It's FLAN time! Summing feature-wise latent representations for interpretability

no code implementations18 Jun 2021 An-phi Nguyen, Maria Rodriguez Martinez

Interpretability has become a necessary feature for machine learning models deployed in critical scenarios, e. g. legal system, healthcare.

Network-based Biased Tree Ensembles (NetBiTE) for Drug Sensitivity Prediction and Drug Sensitivity Biomarker Identification in Cancer

no code implementations18 Aug 2018 Ali Oskooei, Matteo Manica, Roland Mathis, Maria Rodriguez Martinez

We present the Network-based Biased Tree Ensembles (NetBiTE) method for drug sensitivity prediction and drug sensitivity biomarker identification in cancer using a combination of prior knowledge and gene expression data.

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