Model Guidance via Explanations Turns Image Classifiers into Segmentation Models

Heatmaps generated on inputs of image classification networks via explainable AI methods like Grad-CAM and LRP have been observed to resemble segmentations of input images in many cases. Consequently, heatmaps have also been leveraged for achieving weakly supervised segmentation with image-level supervision. On the other hand, losses can be imposed on differentiable heatmaps, which has been shown to serve for (1)~improving heatmaps to be more human-interpretable, (2)~regularization of networks towards better generalization, (3)~training diverse ensembles of networks, and (4)~for explicitly ignoring confounding input features. Due to the latter use case, the paradigm of imposing losses on heatmaps is often referred to as "Right for the right reasons". We unify these two lines of research by investigating semi-supervised segmentation as a novel use case for the Right for the Right Reasons paradigm. First, we show formal parallels between differentiable heatmap architectures and standard encoder-decoder architectures for image segmentation. Second, we show that such differentiable heatmap architectures yield competitive results when trained with standard segmentation losses. Third, we show that such architectures allow for training with weak supervision in the form of image-level labels and small numbers of pixel-level labels, outperforming comparable encoder-decoder models. Code is available at \url{https://github.com/Kainmueller-Lab/TW-autoencoder}.

Explainable concept mappings of MRI: Revealing the mechanisms underlying deep learning-based brain disease classification

Motivation. While recent studies show high accuracy in the classification of Alzheimer's disease using deep neural networks, the underlying learned concepts have not been investigated. Goals. To systematically identify changes in brain regions through concepts learned by the deep neural network for model validation. Approach. Using quantitative R2* maps we separated Alzheimer's patients (n=117) from normal controls (n=219) by using a convolutional neural network and systematically investigated the learned concepts using Concept Relevance Propagation and compared these results to a conventional region of interest-based analysis. Results. In line with established histological findings and the region of interest-based analyses, highly relevant concepts were primarily found in and adjacent to the basal ganglia. Impact. The identification of concepts learned by deep neural networks for disease classification enables validation of the models and could potentially improve reliability.

Reactive Model Correction: Mitigating Harm to Task-Relevant Features via Conditional Bias Suppression

Deep Neural Networks are prone to learning and relying on spurious correlations in the training data, which, for high-risk applications, can have fatal consequences. Various approaches to suppress model reliance on harmful features have been proposed that can be applied post-hoc without additional training. Whereas those methods can be applied with efficiency, they also tend to harm model performance by globally shifting the distribution of latent features. To mitigate unintended overcorrection of model behavior, we propose a reactive approach conditioned on model-derived knowledge and eXplainable Artificial Intelligence (XAI) insights. While the reactive approach can be applied to many post-hoc methods, we demonstrate the incorporation of reactivity in particular for P-ClArC (Projective Class Artifact Compensation), introducing a new method called R-ClArC (Reactive Class Artifact Compensation). Through rigorous experiments in controlled settings (FunnyBirds) and with a real-world dataset (ISIC2019), we show that introducing reactivity can minimize the detrimental effect of the applied correction while simultaneously ensuring low reliance on spurious features.

PURE: Turning Polysemantic Neurons Into Pure Features by Identifying Relevant Circuits

The field of mechanistic interpretability aims to study the role of individual neurons in Deep Neural Networks. Single neurons, however, have the capability to act polysemantically and encode for multiple (unrelated) features, which renders their interpretation difficult. We present a method for disentangling polysemanticity of any Deep Neural Network by decomposing a polysemantic neuron into multiple monosemantic "virtual" neurons. This is achieved by identifying the relevant sub-graph ("circuit") for each "pure" feature. We demonstrate how our approach allows us to find and disentangle various polysemantic units of ResNet models trained on ImageNet. While evaluating feature visualizations using CLIP, our method effectively disentangles representations, improving upon methods based on neuron activations. Our code is available at https://github.com/maxdreyer/PURE.

Explain to Question not to Justify

Explainable Artificial Intelligence (XAI) is a young but very promising field of research. Unfortunately, the progress in this field is currently slowed down by divergent and incompatible goals. In this paper, we separate various threads tangled within the area of XAI into two complementary cultures of human/value-oriented explanations (BLUE XAI) and model/validation-oriented explanations (RED XAI). We also argue that the area of RED XAI is currently under-explored and hides great opportunities and potential for important research necessary to ensure the safety of AI systems. We conclude this paper by presenting promising challenges in this area.

DualView: Data Attribution from the Dual Perspective

Local data attribution (or influence estimation) techniques aim at estimating the impact that individual data points seen during training have on particular predictions of an already trained Machine Learning model during test time. Previous methods either do not perform well consistently across different evaluation criteria from literature, are characterized by a high computational demand, or suffer from both. In this work we present DualView, a novel method for post-hoc data attribution based on surrogate modelling, demonstrating both high computational efficiency, as well as good evaluation results. With a focus on neural networks, we evaluate our proposed technique using suitable quantitative evaluation strategies from the literature against related principal local data attribution methods. We find that DualView requires considerably lower computational resources than other methods, while demonstrating comparable performance to competing approaches across evaluation metrics. Futhermore, our proposed method produces sparse explanations, where sparseness can be tuned via a hyperparameter. Finally, we showcase that with DualView, we can now render explanations from local data attributions compatible with established local feature attribution methods: For each prediction on (test) data points explained in terms of impactful samples from the training set, we are able to compute and visualize how the prediction on (test) sample relates to each influential training sample in terms of features recognized and by the model. We provide an Open Source implementation of DualView online, together with implementations for all other local data attribution methods we compare against, as well as the metrics reported here, for full reproducibility.

AttnLRP: Attention-Aware Layer-wise Relevance Propagation for Transformers

Large Language Models are prone to biased predictions and hallucinations, underlining the paramount importance of understanding their model-internal reasoning process. However, achieving faithful attributions for the entirety of a black-box transformer model and maintaining computational efficiency is an unsolved challenge. By extending the Layer-wise Relevance Propagation attribution method to handle attention layers, we address these challenges effectively. While partial solutions exist, our method is the first to faithfully and holistically attribute not only input but also latent representations of transformer models with the computational efficiency similar to a singular backward pass. Through extensive evaluations against existing methods on Llama 2, Flan-T5 and the Vision Transformer architecture, we demonstrate that our proposed approach surpasses alternative methods in terms of faithfulness and enables the understanding of latent representations, opening up the door for concept-based explanations. We provide an open-source implementation on GitHub https://github.com/rachtibat/LRP-for-Transformers.

Explaining Predictive Uncertainty by Exposing Second-Order Effects

Explainable AI has brought transparency into complex ML blackboxes, enabling, in particular, to identify which features these models use for their predictions. So far, the question of explaining predictive uncertainty, i.e. why a model 'doubts', has been scarcely studied. Our investigation reveals that predictive uncertainty is dominated by second-order effects, involving single features or product interactions between them. We contribute a new method for explaining predictive uncertainty based on these second-order effects. Computationally, our method reduces to a simple covariance computation over a collection of first-order explanations. Our method is generally applicable, allowing for turning common attribution techniques (LRP, Gradient x Input, etc.) into powerful second-order uncertainty explainers, which we call CovLRP, CovGI, etc. The accuracy of the explanations our method produces is demonstrated through systematic quantitative evaluations, and the overall usefulness of our method is demonstrated via two practical showcases.

Understanding the (Extra-)Ordinary: Validating Deep Model Decisions with Prototypical Concept-based Explanations

Ensuring both transparency and safety is critical when deploying Deep Neural Networks (DNNs) in high-risk applications, such as medicine. The field of explainable AI (XAI) has proposed various methods to comprehend the decision-making processes of opaque DNNs. However, only few XAI methods are suitable of ensuring safety in practice as they heavily rely on repeated labor-intensive and possibly biased human assessment. In this work, we present a novel post-hoc concept-based XAI framework that conveys besides instance-wise (local) also class-wise (global) decision-making strategies via prototypes. What sets our approach apart is the combination of local and global strategies, enabling a clearer understanding of the (dis-)similarities in model decisions compared to the expected (prototypical) concept use, ultimately reducing the dependence on human long-term assessment. Quantifying the deviation from prototypical behavior not only allows to associate predictions with specific model sub-strategies but also to detect outlier behavior. As such, our approach constitutes an intuitive and explainable tool for model validation. We demonstrate the effectiveness of our approach in identifying out-of-distribution samples, spurious model behavior and data quality issues across three datasets (ImageNet, CUB-200, and CIFAR-10) utilizing VGG, ResNet, and EfficientNet architectures. Code is available on https://github.com/maxdreyer/pcx.

DMLR: Data-centric Machine Learning Research -- Past, Present and Future

Drawing from discussions at the inaugural DMLR workshop at ICML 2023 and meetings prior, in this report we outline the relevance of community engagement and infrastructure development for the creation of next-generation public datasets that will advance machine learning science. We chart a path forward as a collective effort to sustain the creation and maintenance of these datasets and methods towards positive scientific, societal and business impact.