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Jonathan Crabbé

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13 papers

2 author rows

TMLR Journal 2024 Journal Article

Interpreting CLIP: Insights on the Robustness to ImageNet Distribution Shifts

Jonathan Crabbé
Pau Rodriguez
Vaishaal Shankar
Luca Zappella
Arno Blaas

What distinguishes robust models from non-robust ones? While for ImageNet distribution shifts it has been shown that such differences in robustness can be traced back predominantly to differences in training data, so far it is not known what that translates to in terms of what the model has learned. In this work, we bridge this gap by probing the representation spaces of 16 robust zero-shot CLIP vision encoders with various backbones (ResNets and ViTs) and pretraining sets (OpenAI, LAION-400M, LAION-2B, YFCC15M, CC12M and DataComp), and comparing them to the representation spaces of less robust models with identical backbones, but different (pre)training sets or objectives (CLIP pretraining on ImageNet-Captions, and supervised training or finetuning on ImageNet). Through this analysis, we generate three novel insights. Firstly, we detect the presence of outlier features in robust zero-shot CLIP vision encoders, which to the best of our knowledge is the first time these are observed in non-language and non-transformer models. Secondly, we find the existence of outlier features to be an indication of ImageNet shift robustness in models, since we only find them in robust models in our analysis. Lastly, we also investigate the number of unique encoded concepts in the representation space and find zero-shot CLIP models to encode a higher number of unique concepts in their representation space. However, we do not find this to be an indicator of ImageNet shift robustness and hypothesize that it is rather related to the language supervision.

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ICML Conference 2024 Conference Paper

Time Series Diffusion in the Frequency Domain

Jonathan Crabbé
Nicolas Huynh
Jan Stanczuk
Mihaela van der Schaar

Fourier analysis has been an instrumental tool in the development of signal processing. This leads us to wonder whether this framework could similarly benefit generative modelling. In this paper, we explore this question through the scope of time series diffusion models. More specifically, we analyze whether representing time series in the frequency domain is a useful inductive bias for score-based diffusion models. By starting from the canonical SDE formulation of diffusion in the time domain, we show that a dual diffusion process occurs in the frequency domain with an important nuance: Brownian motions are replaced by what we call mirrored Brownian motions, characterized by mirror symmetries among their components. Building on this insight, we show how to adapt the denoising score matching approach to implement diffusion models in the frequency domain. This results in frequency diffusion models, which we compare to canonical time diffusion models. Our empirical evaluation on real-world datasets, covering various domains like healthcare and finance, shows that frequency diffusion models better capture the training distribution than time diffusion models. We explain this observation by showing that time series from these datasets tend to be more localized in the frequency domain than in the time domain, which makes them easier to model in the former case. All our observations point towards impactful synergies between Fourier analysis and diffusion models.

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NeurIPS Conference 2023 Conference Paper

Evaluating the Robustness of Interpretability Methods through Explanation Invariance and Equivariance

Jonathan Crabbé
Mihaela van der Schaar

Interpretability methods are valuable only if their explanations faithfully describe the explained model. In this work, we consider neural networks whose predictions are invariant under a specific symmetry group. This includes popular architectures, ranging from convolutional to graph neural networks. Any explanation that faithfully explains this type of model needs to be in agreement with this invariance property. We formalize this intuition through the notion of explanation invariance and equivariance by leveraging the formalism from geometric deep learning. Through this rigorous formalism, we derive (1) two metrics to measure the robustness of any interpretability method with respect to the model symmetry group; (2) theoretical robustness guarantees for some popular interpretability methods and (3) a systematic approach to increase the invariance of any interpretability method with respect to a symmetry group. By empirically measuring our metrics for explanations of models associated with various modalities and symmetry groups, we derive a set of 5 guidelines to allow users and developers of interpretability methods to produce robust explanations.

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NeurIPS Conference 2023 Conference Paper

Joint Training of Deep Ensembles Fails Due to Learner Collusion

Alan Jeffares
Tennison Liu
Jonathan Crabbé
Mihaela van der Schaar

Ensembles of machine learning models have been well established as a powerful method of improving performance over a single model. Traditionally, ensembling algorithms train their base learners independently or sequentially with the goal of optimizing their joint performance. In the case of deep ensembles of neural networks, we are provided with the opportunity to directly optimize the true objective: the joint performance of the ensemble as a whole. Surprisingly, however, directly minimizing the loss of the ensemble appears to rarely be applied in practice. Instead, most previous research trains individual models independently with ensembling performed post hoc. In this work, we show that this is for good reason - joint optimization of ensemble loss results in degenerate behavior. We approach this problem by decomposing the ensemble objective into the strength of the base learners and the diversity between them. We discover that joint optimization results in a phenomenon in which base learners collude to artificially inflate their apparent diversity. This pseudo-diversity fails to generalize beyond the training data, causing a larger generalization gap. We proceed to comprehensively demonstrate the practical implications of this effect on a range of standard machine learning tasks and architectures by smoothly interpolating between independent training and joint optimization.

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ICLR Conference 2023 Conference Paper

TANGOS: Regularizing Tabular Neural Networks through Gradient Orthogonalization and Specialization

Alan Jeffares
Tennison Liu
Jonathan Crabbé
Fergus Imrie
Mihaela van der Schaar

Despite their success with unstructured data, deep neural networks are not yet a panacea for structured tabular data. In the tabular domain, their efficiency crucially relies on various forms of regularization to prevent overfitting and provide strong generalization performance. Existing regularization techniques include broad modelling decisions such as choice of architecture, loss functions, and optimization methods. In this work, we introduce Tabular Neural Gradient Orthogonalization and Specialization (TANGOS), a novel framework for regularization in the tabular setting built on latent unit attributions. The gradient attribution of an activation with respect to a given input feature suggests how the neuron attends to that feature, and is often employed to interpret the predictions of deep networks. In TANGOS, we take a different approach and incorporate neuron attributions directly into training to encourage orthogonalization and specialization of latent attributions in a fully-connected network. Our regularizer encourages neurons to focus on sparse, non-overlapping input features and results in a set of diverse and specialized latent units. In the tabular domain, we demonstrate that our approach can lead to improved out-of-sample generalization performance, outperforming other popular regularization methods. We provide insight into why our regularizer is effective and demonstrate that TANGOS can be applied jointly with existing methods to achieve even greater generalization performance.

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NeurIPS Conference 2023 Conference Paper

TRIAGE: Characterizing and auditing training data for improved regression

Nabeel Seedat
Jonathan Crabbé
Zhaozhi Qian
Mihaela van der Schaar

Data quality is crucial for robust machine learning algorithms, with the recent interest in data-centric AI emphasizing the importance of training data characterization. However, current data characterization methods are largely focused on classification settings, with regression settings largely understudied. To address this, we introduce TRIAGE, a novel data characterization framework tailored to regression tasks and compatible with a broad class of regressors. TRIAGE utilizes conformal predictive distributions to provide a model-agnostic scoring method, the TRIAGE score. We operationalize the score to analyze individual samples' training dynamics and characterize samples as under-, over-, or well-estimated by the model. We show that TRIAGE's characterization is consistent and highlight its utility to improve performance via data sculpting/filtering, in multiple regression settings. Additionally, beyond sample level, we show TRIAGE enables new approaches to dataset selection and feature acquisition. Overall, TRIAGE highlights the value unlocked by data characterization in real-world regression applications.

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NeurIPS Conference 2023 Conference Paper

What is Flagged in Uncertainty Quantification? Latent Density Models for Uncertainty Categorization

Hao Sun
Boris van Breugel
Jonathan Crabbé
Nabeel Seedat
Mihaela van der Schaar

Uncertainty quantification (UQ) is essential for creating trustworthy machine learning models. Recent years have seen a steep rise in UQ methods that can flag suspicious examples, however, it is often unclear what exactly these methods identify. In this work, we propose a framework for categorizing uncertain examples flagged by UQ methods. We introduce the confusion density matrix---a kernel-based approximation of the misclassification density---and use this to categorize suspicious examples identified by a given uncertainty method into three classes: out-of-distribution (OOD) examples, boundary (Bnd) examples, and examples in regions of high in-distribution misclassification (IDM). Through extensive experiments, we show that our framework provides a new and distinct perspective for assessing differences between uncertainty quantification methods, thereby forming a valuable assessment benchmark.

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NeurIPS Conference 2022 Conference Paper

Benchmarking Heterogeneous Treatment Effect Models through the Lens of Interpretability

Jonathan Crabbé
Alicia Curth
Ioana Bica
Mihaela van der Schaar

Estimating personalized effects of treatments is a complex, yet pervasive problem. To tackle it, recent developments in the machine learning (ML) literature on heterogeneous treatment effect estimation gave rise to many sophisticated, but opaque, tools: due to their flexibility, modularity and ability to learn constrained representations, neural networks in particular have become central to this literature. Unfortunately, the assets of such black boxes come at a cost: models typically involve countless nontrivial operations, making it difficult to understand what they have learned. Yet, understanding these models can be crucial -- in a medical context, for example, discovered knowledge on treatment effect heterogeneity could inform treatment prescription in clinical practice. In this work, we therefore use post-hoc feature importance methods to identify features that influence the model's predictions. This allows us to evaluate treatment effect estimators along a new and important dimension that has been overlooked in previous work: We construct a benchmarking environment to empirically investigate the ability of personalized treatment effect models to identify predictive covariates -- covariates that determine differential responses to treatment. Our benchmarking environment then enables us to provide new insight into the strengths and weaknesses of different types of treatment effects models as we modulate different challenges specific to treatment effect estimation -- e. g. the ratio of prognostic to predictive information, the possible nonlinearity of potential outcomes and the presence and type of confounding.

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NeurIPS Conference 2022 Conference Paper

Concept Activation Regions: A Generalized Framework For Concept-Based Explanations

Jonathan Crabbé
Mihaela van der Schaar

Concept-based explanations permit to understand the predictions of a deep neural network (DNN) through the lens of concepts specified by users. Existing methods assume that the examples illustrating a concept are mapped in a fixed direction of the DNN's latent space. When this holds true, the concept can be represented by a concept activation vector (CAV) pointing in that direction. In this work, we propose to relax this assumption by allowing concept examples to be scattered across different clusters in the DNN's latent space. Each concept is then represented by a region of the DNN's latent space that includes these clusters and that we call concept activation region (CAR). To formalize this idea, we introduce an extension of the CAV formalism that is based on the kernel trick and support vector classifiers. This CAR formalism yields global concept-based explanations and local concept-based feature importance. We prove that CAR explanations built with radial kernels are invariant under latent space isometries. In this way, CAR assigns the same explanations to latent spaces that have the same geometry. We further demonstrate empirically that CARs offer (1) more accurate descriptions of how concepts are scattered in the DNN's latent space; (2) global explanations that are closer to human concept annotations and (3) concept-based feature importance that meaningfully relate concepts with each other. Finally, we use CARs to show that DNNs can autonomously rediscover known scientific concepts, such as the prostate cancer grading system.

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NeurIPS Conference 2022 Conference Paper

Data-IQ: Characterizing subgroups with heterogeneous outcomes in tabular data

Nabeel Seedat
Jonathan Crabbé
Ioana Bica
Mihaela van der Schaar

High model performance, on average, can hide that models may systematically underperform on subgroups of the data. We consider the tabular setting, which surfaces the unique issue of outcome heterogeneity - this is prevalent in areas such as healthcare, where patients with similar features can have different outcomes, thus making reliable predictions challenging. To tackle this, we propose Data-IQ, a framework to systematically stratify examples into subgroups with respect to their outcomes. We do this by analyzing the behavior of individual examples during training, based on their predictive confidence and, importantly, the aleatoric (data) uncertainty. Capturing the aleatoric uncertainty permits a principled characterization and then subsequent stratification of data examples into three distinct subgroups (Easy, Ambiguous, Hard). We experimentally demonstrate the benefits of Data-IQ on four real-world medical datasets. We show that Data-IQ's characterization of examples is most robust to variation across similarly performant (yet different models), compared to baselines. Since Data-IQ can be used with any ML model (including neural networks, gradient boosting etc. ), this property ensures consistency of data characterization, while allowing flexible model selection. Taking this a step further, we demonstrate that the subgroups enable us to construct new approaches to both feature acquisition and dataset selection. Furthermore, we highlight how the subgroups can inform reliable model usage, noting the significant impact of the Ambiguous subgroup on model generalization.

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ICML Conference 2022 Conference Paper

Data-SUITE: Data-centric identification of in-distribution incongruous examples

Nabeel Seedat
Jonathan Crabbé
Mihaela van der Schaar

Systematic quantification of data quality is critical for consistent model performance. Prior works have focused on out-of-distribution data. Instead, we tackle an understudied yet equally important problem of characterizing incongruous regions of in-distribution (ID) data, which may arise from feature space heterogeneity. To this end, we propose a paradigm shift with Data-SUITE: a data-centric AI framework to identify these regions, independent of a task-specific model. Data-SUITE leverages copula modeling, representation learning, and conformal prediction to build feature-wise confidence interval estimators based on a set of training instances. These estimators can be used to evaluate the congruence of test instances with respect to the training set, to answer two practically useful questions: (1) which test instances will be reliably predicted by a model trained with the training instances? and (2) can we identify incongruous regions of the feature space so that data owners understand the data’s limitations or guide future data collection? We empirically validate Data-SUITE’s performance and coverage guarantees and demonstrate on cross-site medical data, biased data, and data with concept drift, that Data-SUITE best identifies ID regions where a downstream model may be reliable (independent of said model). We also illustrate how these identified regions can provide insights into datasets and highlight their limitations.

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ICML Conference 2022 Conference Paper

Label-Free Explainability for Unsupervised Models

Jonathan Crabbé
Mihaela van der Schaar

Unsupervised black-box models are challenging to interpret. Indeed, most existing explainability methods require labels to select which component(s) of the black-box’s output to interpret. In the absence of labels, black-box outputs often are representation vectors whose components do not correspond to any meaningful quantity. Hence, choosing which component(s) to interpret in a label-free unsupervised/self-supervised setting is an important, yet unsolved problem. To bridge this gap in the literature, we introduce two crucial extensions of post-hoc explanation techniques: (1) label-free feature importance and (2) label-free example importance that respectively highlight influential features and training examples for a black-box to construct representations at inference time. We demonstrate that our extensions can be successfully implemented as simple wrappers around many existing feature and example importance methods. We illustrate the utility of our label-free explainability paradigm through a qualitative and quantitative comparison of representation spaces learned by various autoencoders trained on distinct unsupervised tasks.

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ICML Conference 2021 Conference Paper

Explaining Time Series Predictions with Dynamic Masks

Jonathan Crabbé
Mihaela van der Schaar

How can we explain the predictions of a machine learning model? When the data is structured as a multivariate time series, this question induces additional difficulties such as the necessity for the explanation to embody the time dependency and the large number of inputs. To address these challenges, we propose dynamic masks (Dynamask). This method produces instance-wise importance scores for each feature at each time step by fitting a perturbation mask to the input sequence. In order to incorporate the time dependency of the data, Dynamask studies the effects of dynamic perturbation operators. In order to tackle the large number of inputs, we propose a scheme to make the feature selection parsimonious (to select no more feature than necessary) and legible (a notion that we detail by making a parallel with information theory). With synthetic and real-world data, we demonstrate that the dynamic underpinning of Dynamask, together with its parsimony, offer a neat improvement in the identification of feature importance over time. The modularity of Dynamask makes it ideal as a plug-in to increase the transparency of a wide range of machine learning models in areas such as medicine and finance, where time series are abundant.

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