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Gaël Varoquaux

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Published work

33 published item(s)

preprint2026arXiv

MulTaBench: Benchmarking Multimodal Tabular Learning with Text and Image

Tabular Foundation Models have recently established the state of the art in supervised tabular learning, by leveraging pretraining to learn generalizable representations of numerical and categorical structured data. However, they lack native support for unstructured modalities such as text and image, and rely on frozen, pretrained embeddings to process them. On established Multimodal Tabular Learning benchmarks, we show that tuning the embeddings to the task improves performance. Existing benchmarks, however, often focus on the mere co-occurrence of modalities; this leads to high variance across datasets and masks the benefits of task-specific tuning. To address this gap, we introduce MulTaBench, a benchmark of 40 datasets, split equally between image-tabular and text-tabular tasks. We focus on predictive tasks where the modalities provide complementary predictive signal, and where generic embeddings lose critical information, necessitating Target-Aware Representations that are aligned with the task. Our experimental results demonstrate that the gains from target-aware representation tuning generalize across both text and image modalities, several tabular learners, encoder scales, and embedding dimensions. MulTaBench constitutes the largest image-tabular benchmarking effort to date, spanning high-impact domains such as healthcare and e-commerce. It is designed to enable the research of novel architectures which incorporate joint modeling and target-aware representations, paving the way for the development of novel Multimodal Tabular Foundation Models.

preprint2026arXiv

STRABLE: Benchmarking Tabular Machine Learning with Strings

Benchmarking tabular learning has revealed the benefit of dedicated architectures, pushing the state of the art. But real-world tables often contain string entries, beyond numbers, and these settings have been understudied due to a lack of a solid benchmarking suite. They lead to new research questions: Are dedicated learners needed, with end-to-end modeling of strings and numbers? Or does it suffice to encode strings as numbers, as with a categorical encoding? And if so, do the resulting tables resemble numerical tabular data, calling for the same learners? To enable these studies, we contribute STRABLE, a benchmarking corpus of 108 tables, all real-world learning problems with strings and numbers across diverse application fields. We run the first large-scale empirical study of tabular learning with strings, evaluating 445 pipelines. These pipelines span end-to-end architectures and modular pipelines, where strings are first encoded, then post-processed, and finally passed to a tabular learner. We find that, because most tables in the wild are categorical-dominant, advanced tabular learners paired with simple string embeddings achieve good predictions at low computational cost. On free-text-dominant tables, large LLM encoders become competitive. Their performance also appears sensitive to post-processing, with differences across LLM families. Finally, we show that STRABLE is a good set of tables to study "string tabular" learning as it leads to generalizable pipeline rankings that are close to the oracle rankings. We thus establish STRABLE as a foundation for research on tabular learning with strings, an important yet understudied area.

preprint2023arXiv

Causal effect on a target population: a sensitivity analysis to handle missing covariates

Randomized Controlled Trials (RCTs) are often considered the gold standard for estimating causal effect, but they may lack external validity when the population eligible to the RCT is substantially different from the target population. Having at hand a sample of the target population of interest allows us to generalize the causal effect. Identifying the treatment effect in the target population requires covariates to capture all treatment effect modifiers that are shifted between the two sets. Standard estimators then use either weighting (IPSW), outcome modeling (G-formula), or combine the two in doubly robust approaches (AIPSW). However such covariates are often not available in both sets. In this paper, after proving L1-consistency of these three estimators, we compute the expected bias induced by a missing covariate, assuming a Gaussian distribution, a continuous outcome, and a semi-parametric model. Under this setting, we perform a sensitivity analysis for each missing covariate pattern and compute the sign of the expected bias. We also show that there is no gain in linearly imputing a partially-unobserved covariate. Finally we study the substitution of a missing covariate by a proxy. We illustrate all these results on simulations, as well as semi-synthetic benchmarks using data from the Tennessee Student/Teacher Achievement Ratio (STAR), and a real-world example from critical care medicine.

preprint2023arXiv

Causal inference methods for combining randomized trials and observational studies: a review

With increasing data availability, causal effects can be evaluated across different data sets, both randomized controlled trials (RCTs) and observational studies. RCTs isolate the effect of the treatment from that of unwanted (confounding) co-occurring effects but they may suffer from unrepresentativeness, and thus lack external validity. On the other hand, large observational samples are often more representative of the target population but can conflate confounding effects with the treatment of interest. In this paper, we review the growing literature on methods for causal inference on combined RCTs and observational studies, striving for the best of both worlds. We first discuss identification and estimation methods that improve generalizability of RCTs using the representativeness of observational data. Classical estimators include weighting, difference between conditional outcome models, and doubly robust estimators. We then discuss methods that combine RCTs and observational data to either ensure uncounfoundedness of the observational analysis or to improve (conditional) average treatment effect estimation. We also connect and contrast works developed in both the potential outcomes literature and the structural causal model literature. Finally, we compare the main methods using a simulation study and real world data to analyze the effect of tranexamic acid on the mortality rate in major trauma patients. A review of available codes and new implementations is also provided.

preprint2022arXiv

How I failed machine learning in medical imaging -- shortcomings and recommendations

Medical imaging is an important research field with many opportunities for improving patients' health. However, there are a number of challenges that are slowing down the progress of the field as a whole, such optimizing for publication. In this paper we reviewed several problems related to choosing datasets, methods, evaluation metrics, and publication strategies. With a review of literature and our own analysis, we show that at every step, potential biases can creep in. On a positive note, we also see that initiatives to counteract these problems are already being started. Finally we provide a broad range of recommendations on how to further these address problems in the future. For reproducibility, data and code for our analyses are available on \url{https://github.com/GaelVaroquaux/ml_med_imaging_failures}

preprint2022arXiv

Imputing Out-of-Vocabulary Embeddings with LOVE Makes Language Models Robust with Little Cost

State-of-the-art NLP systems represent inputs with word embeddings, but these are brittle when faced with Out-of-Vocabulary (OOV) words. To address this issue, we follow the principle of mimick-like models to generate vectors for unseen words, by learning the behavior of pre-trained embeddings using only the surface form of words. We present a simple contrastive learning framework, LOVE, which extends the word representation of an existing pre-trained language model (such as BERT), and makes it robust to OOV with few additional parameters. Extensive evaluations demonstrate that our lightweight model achieves similar or even better performances than prior competitors, both on original datasets and on corrupted variants. Moreover, it can be used in a plug-and-play fashion with FastText and BERT, where it significantly improves their robustness.

preprint2022arXiv

Why do tree-based models still outperform deep learning on tabular data?

While deep learning has enabled tremendous progress on text and image datasets, its superiority on tabular data is not clear. We contribute extensive benchmarks of standard and novel deep learning methods as well as tree-based models such as XGBoost and Random Forests, across a large number of datasets and hyperparameter combinations. We define a standard set of 45 datasets from varied domains with clear characteristics of tabular data and a benchmarking methodology accounting for both fitting models and finding good hyperparameters. Results show that tree-based models remain state-of-the-art on medium-sized data ($\sim$10K samples) even without accounting for their superior speed. To understand this gap, we conduct an empirical investigation into the differing inductive biases of tree-based models and Neural Networks (NNs). This leads to a series of challenges which should guide researchers aiming to build tabular-specific NNs: 1. be robust to uninformative features, 2. preserve the orientation of the data, and 3. be able to easily learn irregular functions. To stimulate research on tabular architectures, we contribute a standard benchmark and raw data for baselines: every point of a 20 000 compute hours hyperparameter search for each learner.

preprint2021arXiv

Accounting for Variance in Machine Learning Benchmarks

Strong empirical evidence that one machine-learning algorithm A outperforms another one B ideally calls for multiple trials optimizing the learning pipeline over sources of variation such as data sampling, data augmentation, parameter initialization, and hyperparameters choices. This is prohibitively expensive, and corners are cut to reach conclusions. We model the whole benchmarking process, revealing that variance due to data sampling, parameter initialization and hyperparameter choice impact markedly the results. We analyze the predominant comparison methods used today in the light of this variance. We show a counter-intuitive result that adding more sources of variation to an imperfect estimator approaches better the ideal estimator at a 51 times reduction in compute cost. Building on these results, we study the error rate of detecting improvements, on five different deep-learning tasks/architectures. This study leads us to propose recommendations for performance comparisons.

preprint2020arXiv

Encoding high-cardinality string categorical variables

Statistical models usually require vector representations of categorical variables, using for instance one-hot encoding. This strategy breaks down when the number of categories grows, as it creates high-dimensional feature vectors. Additionally, for string entries, one-hot encoding does not capture information in their representation.Here, we seek low-dimensional encoding of high-cardinality string categorical variables. Ideally, these should be: scalable to many categories; interpretable to end users; and facilitate statistical analysis. We introduce two encoding approaches for string categories: a Gamma-Poisson matrix factorization on substring counts, and the min-hash encoder, for fast approximation of string similarities. We show that min-hash turns set inclusions into inequality relations that are easier to learn. Both approaches are scalable and streamable. Experiments on real and simulated data show that these methods improve supervised learning with high-cardinality categorical variables. We recommend the following: if scalability is central, the min-hash encoder is the best option as it does not require any data fit; if interpretability is important, the Gamma-Poisson factorization is the best alternative, as it can be interpreted as one-hot encoding on inferred categories with informative feature names. Both models enable autoML on the original string entries as they remove the need for feature engineering or data cleaning.

preprint2020arXiv

Fine-grain atlases of functional modes for fMRI analysis

Population imaging markedly increased the size of functional-imaging datasets, shedding new light on the neural basis of inter-individual differences. Analyzing these large data entails new scalability challenges, computational and statistical. For this reason, brain images are typically summarized in a few signals, for instance reducing voxel-level measures with brain atlases or functional modes. A good choice of the corresponding brain networks is important, as most data analyses start from these reduced signals. We contribute finely-resolved atlases of functional modes, comprising from 64 to 1024 networks. These dictionaries of functional modes (DiFuMo) are trained on millions of fMRI functional brain volumes of total size 2.4TB, spanned over 27 studies and many research groups. We demonstrate the benefits of extracting reduced signals on our fine-grain atlases for many classic functional data analysis pipelines: stimuli decoding from 12,334 brain responses, standard GLM analysis of fMRI across sessions and individuals, extraction of resting-state functional-connectomes biomarkers for 2,500 individuals, data compression and meta-analysis over more than 15,000 statistical maps. In each of these analysis scenarii, we compare the performance of our functional atlases with that of other popular references, and to a simple voxel-level analysis. Results highlight the importance of using high-dimensional "soft" functional atlases, to represent and analyse brain activity while capturing its functional gradients. Analyses on high-dimensional modes achieve similar statistical performance as at the voxel level, but with much reduced computational cost and higher interpretability. In addition to making them available, we provide meaningful names for these modes, based on their anatomical location. It will facilitate reporting of results.

preprint2020arXiv

Linear predictor on linearly-generated data with missing values: non consistency and solutions

We consider building predictors when the data have missing values. We study the seemingly-simple case where the target to predict is a linear function of the fully-observed data and we show that, in the presence of missing values, the optimal predictor may not be linear. In the particular Gaussian case, it can be written as a linear function of multiway interactions between the observed data and the various missing-value indicators. Due to its intrinsic complexity, we study a simple approximation and prove generalization bounds with finite samples, highlighting regimes for which each method performs best. We then show that multilayer perceptrons with ReLU activation functions can be consistent, and can explore good trade-offs between the true model and approximations. Our study highlights the interesting family of models that are beneficial to fit with missing values depending on the amount of data available.

preprint2020arXiv

NeuroQuery: comprehensive meta-analysis of human brain mapping

Reaching a global view of brain organization requires assembling evidence on widely different mental processes and mechanisms. The variety of human neuroscience concepts and terminology poses a fundamental challenge to relating brain imaging results across the scientific literature. Existing meta-analysis methods perform statistical tests on sets of publications associated with a particular concept. Thus, large-scale meta-analyses only tackle single terms that occur frequently. We propose a new paradigm, focusing on prediction rather than inference. Our multivariate model predicts the spatial distribution of neurological observations, given text describing an experiment, cognitive process, or disease. This approach handles text of arbitrary length and terms that are too rare for standard meta-analysis. We capture the relationships and neural correlates of 7 547 neuroscience terms across 13 459 neuroimaging publications. The resulting meta-analytic tool, neuroquery.org, can ground hypothesis generation and data-analysis priors on a comprehensive view of published findings on the brain.

preprint2016arXiv

Assessing and tuning brain decoders: cross-validation, caveats, and guidelines

Decoding, ie prediction from brain images or signals, calls for empirical evaluation of its predictive power. Such evaluation is achieved via cross-validation, a method also used to tune decoders' hyper-parameters. This paper is a review on cross-validation procedures for decoding in neuroimaging. It includes a didactic overview of the relevant theoretical considerations. Practical aspects are highlighted with an extensive empirical study of the common decoders in within-and across-subject predictions, on multiple datasets --anatomical and functional MRI and MEG-- and simulations. Theory and experiments outline that the popular " leave-one-out " strategy leads to unstable and biased estimates, and a repeated random splits method should be preferred. Experiments outline the large error bars of cross-validation in neuroimaging settings: typical confidence intervals of 10%. Nested cross-validation can tune decoders' parameters while avoiding circularity bias. However we find that it can be more favorable to use sane defaults, in particular for non-sparse decoders.

preprint2016arXiv

Deriving reproducible biomarkers from multi-site resting-state data: An Autism-based example

Resting-state functional Magnetic Resonance Imaging (R-fMRI) holds the promise to reveal functional biomarkers of neuropsychiatric disorders. However, extracting such biomarkers is challenging for complex multi-faceted neuropatholo-gies, such as autism spectrum disorders. Large multi-site datasets increase sample sizes to compensate for this complexity, at the cost of uncontrolled heterogeneity. This heterogeneity raises new challenges, akin to those face in realistic diagnostic applications. Here, we demonstrate the feasibility of inter-site classification of neuropsychiatric status, with an application to the Autism Brain Imaging Data Exchange (ABIDE) database, a large (N=871) multi-site autism dataset. For this purpose, we investigate pipelines that extract the most predictive biomarkers from the data. These R-fMRI pipelines build participant-specific connectomes from functionally-defined brain areas. Connectomes are then compared across participants to learn patterns of connectivity that differentiate typical controls from individuals with autism. We predict this neuropsychiatric status for participants from the same acquisition sites or different, unseen, ones. Good choices of methods for the various steps of the pipeline lead to 67% prediction accuracy on the full ABIDE data, which is significantly better than previously reported results. We perform extensive validation on multiple subsets of the data defined by different inclusion criteria. These enables detailed analysis of the factors contributing to successful connectome-based prediction. First, prediction accuracy improves as we include more subjects, up to the maximum amount of subjects available. Second, the definition of functional brain areas is of paramount importance for biomarker discovery: brain areas extracted from large R-fMRI datasets outperform reference atlases in the classification tasks.

preprint2016arXiv

Social-sparsity brain decoders: faster spatial sparsity

Spatially-sparse predictors are good models for brain decoding: they give accurate predictions and their weight maps are interpretable as they focus on a small number of regions. However, the state of the art, based on total variation or graph-net, is computationally costly. Here we introduce sparsity in the local neighborhood of each voxel with social-sparsity, a structured shrinkage operator. We find that, on brain imaging classification problems, social-sparsity performs almost as well as total-variation models and better than graph-net, for a fraction of the computational cost. It also very clearly outlines predictive regions. We give details of the model and the algorithm.

preprint2016arXiv

Subsampled online matrix factorization with convergence guarantees

We present a matrix factorization algorithm that scales to input matrices that are large in both dimensions (i.e., that contains morethan 1TB of data). The algorithm streams the matrix columns while subsampling them, resulting in low complexity per iteration andreasonable memory footprint. In contrast to previous online matrix factorization methods, our approach relies on low-dimensional statistics from past iterates to control the extra variance introduced by subsampling. We present a convergence analysis that guarantees us to reach a stationary point of the problem. Large speed-ups can be obtained compared to previous online algorithms that do not perform subsampling, thanks to the feature redundancy that often exists in high-dimensional settings.

preprint2016arXiv

Testing for Differences in Gaussian Graphical Models: Applications to Brain Connectivity

Functional brain networks are well described and estimated from data with Gaussian Graphical Models (GGMs), e.g. using sparse inverse covariance estimators. Comparing functional connectivity of subjects in two populations calls for comparing these estimated GGMs. Our goal is to identify differences in GGMs known to have similar structure. We characterize the uncertainty of differences with confidence intervals obtained using a parametric distribution on parameters of a sparse estimator. Sparse penalties enable statistical guarantees and interpretable models even in high-dimensional and low-sample settings. Characterizing the distributions of sparse models is inherently challenging as the penalties produce a biased estimator. Recent work invokes the sparsity assumptions to effectively remove the bias from a sparse estimator such as the lasso. These distributions can be used to give confidence intervals on edges in GGMs, and by extension their differences. However, in the case of comparing GGMs, these estimators do not make use of any assumed joint structure among the GGMs. Inspired by priors from brain functional connectivity we derive the distribution of parameter differences under a joint penalty when parameters are known to be sparse in the difference. This leads us to introduce the debiased multi-task fused lasso, whose distribution can be characterized in an efficient manner. We then show how the debiased lasso and multi-task fused lasso can be used to obtain confidence intervals on edge differences in GGMs. We validate the techniques proposed on a set of synthetic examples as well as neuro-imaging dataset created for the study of autism.

preprint2013arXiv

API design for machine learning software: experiences from the scikit-learn project

Scikit-learn is an increasingly popular machine learning li- brary. Written in Python, it is designed to be simple and efficient, accessible to non-experts, and reusable in various contexts. In this paper, we present and discuss our design choices for the application programming interface (API) of the project. In particular, we describe the simple and elegant interface shared by all learning and processing units in the library and then discuss its advantages in terms of composition and reusability. The paper also comments on implementation details specific to the Python ecosystem and analyzes obstacles faced by users and developers of the library.

preprint2013arXiv

Learning and comparing functional connectomes across subjects

Functional connectomes capture brain interactions via synchronized fluctuations in the functional magnetic resonance imaging signal. If measured during rest, they map the intrinsic functional architecture of the brain. With task-driven experiments they represent integration mechanisms between specialized brain areas. Analyzing their variability across subjects and conditions can reveal markers of brain pathologies and mechanisms underlying cognition. Methods of estimating functional connectomes from the imaging signal have undergone rapid developments and the literature is full of diverse strategies for comparing them. This review aims to clarify links across functional-connectivity methods as well as to expose different steps to perform a group study of functional connectomes.

preprint2013arXiv

Mapping cognitive ontologies to and from the brain

Imaging neuroscience links brain activation maps to behavior and cognition via correlational studies. Due to the nature of the individual experiments, based on eliciting neural response from a small number of stimuli, this link is incomplete, and unidirectional from the causal point of view. To come to conclusions on the function implied by the activation of brain regions, it is necessary to combine a wide exploration of the various brain functions and some inversion of the statistical inference. Here we introduce a methodology for accumulating knowledge towards a bidirectional link between observed brain activity and the corresponding function. We rely on a large corpus of imaging studies and a predictive engine. Technically, the challenges are to find commonality between the studies without denaturing the richness of the corpus. The key elements that we contribute are labeling the tasks performed with a cognitive ontology, and modeling the long tail of rare paradigms in the corpus. To our knowledge, our approach is the first demonstration of predicting the cognitive content of completely new brain images. To that end, we propose a method that predicts the experimental paradigms across different studies.

preprint2013arXiv

PyXNAT: XNAT in Python

As neuroimaging databases grow in size and complexity, the time researchers spend investigating and managing the data increases to the expense of data analysis. As a result, investigators rely more and more heavily on scripting using high-level languages to automate data management and processing tasks. For this, a structured and programmatic access to the data store is necessary. Web services are a first step toward this goal. They however lack in functionality and ease of use because they provide only low level interfaces to databases. We introduce here PyXNAT, a Python module that interacts with The Extensible Neuroimaging Archive Toolkit (XNAT) through native Python calls across multiple operating systems. The choice of Python enables PyXNAT to expose the XNAT Web Services and unify their features with a higher level and more expressive language. PyXNAT provides XNAT users direct access to all the scientific packages in Python. Finally PyXNAT aims to be efficient and easy to use, both as a backend library to build XNAT clients and as an alternative frontend from the command line.

preprint2012arXiv

Improved brain pattern recovery through ranking approaches

Inferring the functional specificity of brain regions from functional Magnetic Resonance Images (fMRI) data is a challenging statistical problem. While the General Linear Model (GLM) remains the standard approach for brain mapping, supervised learning techniques (a.k.a.} decoding) have proven to be useful to capture multivariate statistical effects distributed across voxels and brain regions. Up to now, much effort has been made to improve decoding by incorporating prior knowledge in the form of a particular regularization term. In this paper we demonstrate that further improvement can be made by accounting for non-linearities using a ranking approach rather than the commonly used least-square regression. Through simulation, we compare the recovery properties of our approach to linear models commonly used in fMRI based decoding. We demonstrate the superiority of ranking with a real fMRI dataset.

preprint2012arXiv

Improving accuracy and power with transfer learning using a meta-analytic database

Typical cohorts in brain imaging studies are not large enough for systematic testing of all the information contained in the images. To build testable working hypotheses, investigators thus rely on analysis of previous work, sometimes formalized in a so-called meta-analysis. In brain imaging, this approach underlies the specification of regions of interest (ROIs) that are usually selected on the basis of the coordinates of previously detected effects. In this paper, we propose to use a database of images, rather than coordinates, and frame the problem as transfer learning: learning a discriminant model on a reference task to apply it to a different but related new task. To facilitate statistical analysis of small cohorts, we use a sparse discriminant model that selects predictive voxels on the reference task and thus provides a principled procedure to define ROIs. The benefits of our approach are twofold. First it uses the reference database for prediction, i.e. to provide potential biomarkers in a clinical setting. Second it increases statistical power on the new task. We demonstrate on a set of 18 pairs of functional MRI experimental conditions that our approach gives good prediction. In addition, on a specific transfer situation involving different scanners at different locations, we show that voxel selection based on transfer learning leads to higher detection power on small cohorts.

preprint2012arXiv

Learning to rank from medical imaging data

Medical images can be used to predict a clinical score coding for the severity of a disease, a pain level or the complexity of a cognitive task. In all these cases, the predicted variable has a natural order. While a standard classifier discards this information, we would like to take it into account in order to improve prediction performance. A standard linear regression does model such information, however the linearity assumption is likely not be satisfied when predicting from pixel intensities in an image. In this paper we address these modeling challenges with a supervised learning procedure where the model aims to order or rank images. We use a linear model for its robustness in high dimension and its possible interpretation. We show on simulations and two fMRI datasets that this approach is able to predict the correct ordering on pairs of images, yielding higher prediction accuracy than standard regression and multiclass classification techniques.

preprint2012arXiv

Markov models for fMRI correlation structure: is brain functional connectivity small world, or decomposable into networks?

Correlations in the signal observed via functional Magnetic Resonance Imaging (fMRI), are expected to reveal the interactions in the underlying neural populations through hemodynamic response. In particular, they highlight distributed set of mutually correlated regions that correspond to brain networks related to different cognitive functions. Yet graph-theoretical studies of neural connections give a different picture: that of a highly integrated system with small-world properties: local clustering but with short pathways across the complete structure. We examine the conditional independence properties of the fMRI signal, i.e. its Markov structure, to find realistic assumptions on the connectivity structure that are required to explain the observed functional connectivity. In particular we seek a decomposition of the Markov structure into segregated functional networks using decomposable graphs: a set of strongly-connected and partially overlapping cliques. We introduce a new method to efficiently extract such cliques on a large, strongly-connected graph. We compare methods learning different graph structures from functional connectivity by testing the goodness of fit of the model they learn on new data. We find that summarizing the structure as strongly-connected networks can give a good description only for very large and overlapping networks. These results highlight that Markov models are good tools to identify the structure of brain connectivity from fMRI signals, but for this purpose they must reflect the small-world properties of the underlying neural systems.

preprint2012arXiv

On spatial selectivity and prediction across conditions with fMRI

Researchers in functional neuroimaging mostly use activation coordinates to formulate their hypotheses. Instead, we propose to use the full statistical images to define regions of interest (ROIs). This paper presents two machine learning approaches, transfer learning and selection transfer, that are compared upon their ability to identify the common patterns between brain activation maps related to two functional tasks. We provide some preliminary quantification of these similarities, and show that selection transfer makes it possible to set a spatial scale yielding ROIs that are more specific to the context of interest than with transfer learning. In particular, selection transfer outlines well known regions such as the Visual Word Form Area when discriminating between different visual tasks.

preprint2011arXiv

A supervised clustering approach for fMRI-based inference of brain states

We propose a method that combines signals from many brain regions observed in functional Magnetic Resonance Imaging (fMRI) to predict the subject's behavior during a scanning session. Such predictions suffer from the huge number of brain regions sampled on the voxel grid of standard fMRI data sets: the curse of dimensionality. Dimensionality reduction is thus needed, but it is often performed using a univariate feature selection procedure, that handles neither the spatial structure of the images, nor the multivariate nature of the signal. By introducing a hierarchical clustering of the brain volume that incorporates connectivity constraints, we reduce the span of the possible spatial configurations to a single tree of nested regions tailored to the signal. We then prune the tree in a supervised setting, hence the name supervised clustering, in order to extract a parcellation (division of the volume) such that parcel-based signal averages best predict the target information. Dimensionality reduction is thus achieved by feature agglomeration, and the constructed features now provide a multi-scale representation of the signal. Comparisons with reference methods on both simulated and real data show that our approach yields higher prediction accuracy than standard voxel-based approaches. Moreover, the method infers an explicit weighting of the regions involved in the regression or classification task.

preprint2011arXiv

The NumPy array: a structure for efficient numerical computation

In the Python world, NumPy arrays are the standard representation for numerical data. Here, we show how these arrays enable efficient implementation of numerical computations in a high-level language. Overall, three techniques are applied to improve performance: vectorizing calculations, avoiding copying data in memory, and minimizing operation counts. We first present the NumPy array structure, then show how to use it for efficient computation, and finally how to share array data with other libraries.

preprint2011arXiv

Total variation regularization for fMRI-based prediction of behaviour

While medical imaging typically provides massive amounts of data, the extraction of relevant information for predictive diagnosis remains a difficult challenge. Functional MRI (fMRI) data, that provide an indirect measure of task-related or spontaneous neuronal activity, are classically analyzed in a mass-univariate procedure yielding statistical parametric maps. This analysis framework disregards some important principles of brain organization: population coding, distributed and overlapping representations. Multivariate pattern analysis, i.e., the prediction of behavioural variables from brain activation patterns better captures this structure. To cope with the high dimensionality of the data, the learning method has to be regularized. However, the spatial structure of the image is not taken into account in standard regularization methods, so that the extracted features are often hard to interpret. More informative and interpretable results can be obtained with the l_1 norm of the image gradient, a.k.a. its Total Variation (TV), as regularization. We apply for the first time this method to fMRI data, and show that TV regularization is well suited to the purpose of brain mapping while being a powerful tool for brain decoding. Moreover, this article presents the first use of TV regularization for classification.

preprint2010arXiv

Brain covariance selection: better individual functional connectivity models using population prior

Spontaneous brain activity, as observed in functional neuroimaging, has been shown to display reproducible structure that expresses brain architecture and carries markers of brain pathologies. An important view of modern neuroscience is that such large-scale structure of coherent activity reflects modularity properties of brain connectivity graphs. However, to date, there has been no demonstration that the limited and noisy data available in spontaneous activity observations could be used to learn full-brain probabilistic models that generalize to new data. Learning such models entails two main challenges: i) modeling full brain connectivity is a difficult estimation problem that faces the curse of dimensionality and ii) variability between subjects, coupled with the variability of functional signals between experimental runs, makes the use of multiple datasets challenging. We describe subject-level brain functional connectivity structure as a multivariate Gaussian process and introduce a new strategy to estimate it from group data, by imposing a common structure on the graphical model in the population. We show that individual models learned from functional Magnetic Resonance Imaging (fMRI) data using this population prior generalize better to unseen data than models based on alternative regularization schemes. To our knowledge, this is the first report of a cross-validated model of spontaneous brain activity. Finally, we use the estimated graphical model to explore the large-scale characteristics of functional architecture and show for the first time that known cognitive networks appear as the integrated communities of functional connectivity graph.

preprint2010arXiv

Detection of brain functional-connectivity difference in post-stroke patients using group-level covariance modeling

Functional brain connectivity, as revealed through distant correlations in the signals measured by functional Magnetic Resonance Imaging (fMRI), is a promising source of biomarkers of brain pathologies. However, establishing and using diagnostic markers requires probabilistic inter-subject comparisons. Principled comparison of functional-connectivity structures is still a challenging issue. We give a new matrix-variate probabilistic model suitable for inter-subject comparison of functional connectivity matrices on the manifold of Symmetric Positive Definite (SPD) matrices. We show that this model leads to a new algorithm for principled comparison of connectivity coefficients between pairs of regions. We apply this model to comparing separately post-stroke patients to a group of healthy controls. We find neurologically-relevant connection differences and show that our model is more sensitive that the standard procedure. To the best of our knowledge, these results are the first report of functional connectivity differences between a single-patient and a group and thus establish an important step toward using functional connectivity as a diagnostic tool.

preprint2010arXiv

ICA-based sparse feature recovery from fMRI datasets

Spatial Independent Components Analysis (ICA) is increasingly used in the context of functional Magnetic Resonance Imaging (fMRI) to study cognition and brain pathologies. Salient features present in some of the extracted Independent Components (ICs) can be interpreted as brain networks, but the segmentation of the corresponding regions from ICs is still ill-controlled. Here we propose a new ICA-based procedure for extraction of sparse features from fMRI datasets. Specifically, we introduce a new thresholding procedure that controls the deviation from isotropy in the ICA mixing model. Unlike current heuristics, our procedure guarantees an exact, possibly conservative, level of specificity in feature detection. We evaluate the sensitivity and specificity of the method on synthetic and fMRI data and show that it outperforms state-of-the-art approaches.

preprint2010arXiv

Mayavi: a package for 3D visualization of scientific data

Mayavi is an open-source, general-purpose, 3D scientific visualization package. It seeks to provide easy and interactive tools for data visualization that fit with the scientific user's workflow. For this purpose, Mayavi provides several entry points: a full-blown interactive application; a Python library with both a MATLAB-like interface focused on easy scripting and a feature-rich object hierarchy; widgets associated with these objects for assembling in a domain-specific application, and plugins that work with a general purpose application-building framework. In this article, we present an overview of the various features of Mayavi, we then provide insight on the design and engineering decisions made in implementing Mayavi, and finally discuss a few novel applications.