Search Results for author: Edward De Brouwer

Found 19 papers, 12 papers with code

Atom-Level Optical Chemical Structure Recognition with Limited Supervision

1 code implementation2 Apr 2024 Martijn Oldenhof, Edward De Brouwer, Adam Arany, Yves Moreau

Identifying the chemical structure from a graphical representation, or image, of a molecule is a challenging pattern recognition task that would greatly benefit drug development.

Benchmarking

Benchmarking Observational Studies with Experimental Data under Right-Censoring

no code implementations23 Feb 2024 Ilker Demirel, Edward De Brouwer, Zeshan Hussain, Michael Oberst, Anthony Philippakis, David Sontag

Drawing causal inferences from observational studies (OS) requires unverifiable validity assumptions; however, one can falsify those assumptions by benchmarking the OS with experimental data from a randomized controlled trial (RCT).

Benchmarking

BLIS-Net: Classifying and Analyzing Signals on Graphs

no code implementations26 Oct 2023 Charles Xu, Laney Goldman, Valentina Guo, Benjamin Hollander-Bodie, Maedee Trank-Greene, Ian Adelstein, Edward De Brouwer, Rex Ying, Smita Krishnaswamy, Michael Perlmutter

We make several crucial changes to the original geometric scattering architecture which we prove increase the ability of our network to capture information about the input signal and show that BLIS-Net achieves superior performance on both synthetic and real-world data sets based on traffic flow and fMRI data.

Graph Classification Node Classification

Manifold Filter-Combine Networks

1 code implementation8 Jul 2023 Joyce Chew, Edward De Brouwer, Smita Krishnaswamy, Deanna Needell, Michael Perlmutter

We introduce a class of manifold neural networks (MNNs) that we call Manifold Filter-Combine Networks (MFCNs), that aims to further our understanding of MNNs, analogous to how the aggregate-combine framework helps with the understanding of graph neural networks (GNNs).

A Heat Diffusion Perspective on Geodesic Preserving Dimensionality Reduction

1 code implementation NeurIPS 2023 Guillaume Huguet, Alexander Tong, Edward De Brouwer, Yanlei Zhang, Guy Wolf, Ian Adelstein, Smita Krishnaswamy

Finally, we show that parameters of our more general method can be configured to give results similar to PHATE (a state-of-the-art diffusion based manifold learning method) as well as SNE (an attraction/repulsion neighborhood based method that forms the basis of t-SNE).

Denoising Dimensionality Reduction +1

Weakly Supervised Knowledge Transfer with Probabilistic Logical Reasoning for Object Detection

1 code implementation9 Mar 2023 Martijn Oldenhof, Adam Arany, Yves Moreau, Edward De Brouwer

In this work, we propose ProbKT, a framework based on probabilistic logical reasoning that allows to train object detection models with arbitrary types of weak supervision.

Logical Reasoning object-detection +2

Anamnesic Neural Differential Equations with Orthogonal Polynomial Projections

1 code implementation3 Mar 2023 Edward De Brouwer, Rahul G. Krishnan

These models provide a continuous-time latent representation of the underlying dynamical system where new observations at arbitrary time points can be used to update the latent representation of the dynamical system.

Time Series Time Series Analysis

Learning predictive checklists from continuous medical data

no code implementations14 Nov 2022 Yukti Makhija, Edward De Brouwer, Rahul G. Krishnan

Checklists, while being only recently introduced in the medical domain, have become highly popular in daily clinical practice due to their combined effectiveness and great interpretability.

Deep Counterfactual Estimation with Categorical Background Variables

1 code implementation11 Oct 2022 Edward De Brouwer

The standard approach to estimate counterfactuals resides in using a structural equation model that accurately reflects the underlying data generating process.

Causal Inference counterfactual +2

Predicting the impact of treatments over time with uncertainty aware neural differential equations

1 code implementation24 Feb 2022 Edward De Brouwer, Javier González Hernández, Stephanie Hyland

In this work, we propose Counterfactual ODE (CF-ODE), a novel method to predict the impact of treatments continuously over time using Neural Ordinary Differential Equations equipped with uncertainty estimates.

Causal Inference counterfactual +2

The magnitude vector of images

1 code implementation28 Oct 2021 Michael F. Adamer, Edward De Brouwer, Leslie O'Bray, Bastian Rieck

Furthermore, we demonstrate practical use cases of magnitude for machine learning applications and propose a novel magnitude model that consists of a computationally efficient magnitude computation and a learnable metric.

Boundary Detection Descriptive +2

Topological Graph Neural Networks

1 code implementation ICLR 2022 Max Horn, Edward De Brouwer, Michael Moor, Yves Moreau, Bastian Rieck, Karsten Borgwardt

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles.

Graph Learning Node Classification

Latent Convergent Cross Mapping

no code implementations ICLR 2021 Edward De Brouwer, Adam Arany, Jaak Simm, Yves Moreau

Discovering causal structures of temporal processes is a major tool of scientific inquiry because it helps us better understand and explain the mechanisms driving a phenomenon of interest, thereby facilitating analysis, reasoning, and synthesis for such systems.

Causal Inference Time Series +1

Expressive Graph Informer Networks

1 code implementation25 Jul 2019 Jaak Simm, Adam Arany, Edward De Brouwer, Yves Moreau

Applying machine learning to molecules is challenging because of their natural representation as graphs rather than vectors. Several architectures have been recently proposed for deep learning from molecular graphs, but they suffer from informationbottlenecks because they only pass information from a graph node to its direct neighbors.

GRU-ODE-Bayes: Continuous modeling of sporadically-observed time series

4 code implementations NeurIPS 2019 Edward De Brouwer, Jaak Simm, Adam Arany, Yves Moreau

Modeling real-world multidimensional time series can be particularly challenging when these are sporadically observed (i. e., sampling is irregular both in time and across dimensions)-such as in the case of clinical patient data.

Multivariate Time Series Forecasting Time Series +1

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