1 code implementation • 29 Aug 2022 • Mara Graziani, Niccolò Marini, Nicolas Deutschmann, Nikita Janakarajan, Henning Müller, María Rodríguez Martínez
Interpretability of deep learning is widely used to evaluate the reliability of medical imaging models and reduce the risks of inaccurate patient recommendations.
no code implementations • 21 Apr 2021 • Anna Weber, Jannis Born, María Rodríguez Martínez
Scarcity of data and a large sequence space make this task challenging, and to date only models limited to a small set of epitopes have achieved good performance.
no code implementations • 1 Jan 2021 • Nil Adell Mill, Jannis Born, Nathaniel Park, James Hedrick, María Rodríguez Martínez, Matteo Manica
We explore a spectrum of models, ranging from uniquely learning representations based on the isolated features of the nodes (focusing on Variational Autoencoders), to uniquely learning representations based on the topology (using node2vec) passing through models that integrate both node features and topological information in a hybrid fashion.
no code implementations • 15 Jul 2020 • An-phi Nguyen, María Rodríguez Martínez
If we understand a problem, we may introduce inductive biases in our model in the form of invariances.
no code implementations • 15 Jul 2020 • An-phi Nguyen, María Rodríguez Martínez
Despite the growing body of work in interpretable machine learning, it remains unclear how to evaluate different explainability methods without resorting to qualitative assessment and user-studies.
1 code implementation • 27 May 2020 • Jannis Born, Matteo Manica, Joris Cadow, Greta Markert, Nil Adell Mill, Modestas Filipavicius, María Rodríguez Martínez
With the fast development of COVID-19 into a global pandemic, scientists around the globe are desperately searching for effective antiviral therapeutic agents.
no code implementations • 18 Nov 2019 • Ali Oskooei, Sophie Mai Chau, Jonas Weiss, Arvind Sridhar, María Rodríguez Martínez, Bruno Michel
We explore and compare three methods in order to perform unsupervised stress detection: 1) traditional K-Means clustering with engineered time and frequency domain features 2) convolutional autoencoders and 3) long short-term memory (LSTM) autoencoders, both trained on the raw RRI measurements combined with DBSCAN clustering and K-Nearest-Neighbors classification.
no code implementations • 30 Sep 2019 • An-phi Nguyen, María Rodríguez Martínez
Being able to interpret, or explain, the predictions made by a machine learning model is of fundamental importance.
no code implementations • 29 Aug 2019 • Jannis Born, Matteo Manica, Ali Oskooei, Joris Cadow, Karsten Borgwardt, María Rodríguez Martínez
The generative process is optimized through PaccMann, a previously developed drug sensitivity prediction model to obtain effective anticancer compounds for the given context (i. e., transcriptomic profile).
1 code implementation • 25 Apr 2019 • Matteo Manica, Ali Oskooei, Jannis Born, Vigneshwari Subramanian, Julio Sáez-Rodríguez, María Rodríguez Martínez
In line with recent advances in neural drug design and sensitivity prediction, we propose a novel architecture for interpretable prediction of anticancer compound sensitivity using a multimodal attention-based convolutional encoder.
1 code implementation • 18 Apr 2019 • Guillaume Jaume, An-phi Nguyen, María Rodríguez Martínez, Jean-Philippe Thiran, Maria Gabrani
The ability of a graph neural network (GNN) to leverage both the graph topology and graph labels is fundamental to building discriminative node and graph embeddings.
Ranked #27 on
Graph Classification
on MUTAG
no code implementations • 22 Nov 2018 • Bianca-Cristina Cristescu, Zalán Borsos, John Lygeros, María Rodríguez Martínez, Maria Anna Rapsomaniki
In this work, we explore the idea of manifold learning for the 3D chromatin structure inference and present a novel method, REcurrent Autoencoders for CHromatin 3D structure prediction (REACH-3D).
1 code implementation • 16 Nov 2018 • Ali Oskooei, Jannis Born, Matteo Manica, Vigneshwari Subramanian, Julio Sáez-Rodríguez, María Rodríguez Martínez
Our models ingest a drug-cell pair consisting of SMILES encoding of a compound and the gene expression profile of a cancer cell and predicts an IC50 sensitivity value.
no code implementations • 29 Mar 2018 • Matteo Manica, Joris Cadow, Roland Mathis, María Rodríguez Martínez
Reliable identification of molecular biomarkers is essential for accurate patient stratification.