Weakly-Supervised Multimodal Learning on MIMIC-CXR

Multimodal data integration and label scarcity pose significant challenges for machine learning in medical settings. To address these issues, we conduct an in-depth evaluation of the newly proposed Multimodal Variational Mixture-of-Experts (MMVM) VAE on the challenging MIMIC-CXR dataset. Our analysis demonstrates that the MMVM VAE consistently outperforms other multimodal VAEs and fully supervised approaches, highlighting its strong potential for real-world medical applications.

Cross-Entropy Is All You Need To Invert the Data Generating Process

Supervised learning has become a cornerstone of modern machine learning, yet a comprehensive theory explaining its effectiveness remains elusive. Empirical phenomena, such as neural analogy-making and the linear representation hypothesis, suggest that supervised models can learn interpretable factors of variation in a linear fashion. Recent advances in self-supervised learning, particularly nonlinear Independent Component Analysis, have shown that these methods can recover latent structures by inverting the data generating process. We extend these identifiability results to parametric instance discrimination, then show how insights transfer to the ubiquitous setting of supervised learning with cross-entropy minimization. We prove that even in standard classification tasks, models learn representations of ground-truth factors of variation up to a linear transformation. We corroborate our theoretical contribution with a series of empirical studies. First, using simulated data matching our theoretical assumptions, we demonstrate successful disentanglement of latent factors. Second, we show that on DisLib, a widely-used disentanglement benchmark, simple classification tasks recover latent structures up to linear transformations. Finally, we reveal that models trained on ImageNet encode representations that permit linear decoding of proxy factors of variation. Together, our theoretical findings and experiments offer a compelling explanation for recent observations of linear representations, such as superposition in neural networks. This work takes a significant step toward a cohesive theory that accounts for the unreasonable effectiveness of supervised deep learning.

Exploiting Interpretable Capabilities with Concept-Enhanced Diffusion and Prototype Networks

Concept-based machine learning methods have increasingly gained importance due to the growing interest in making neural networks interpretable. However, concept annotations are generally challenging to obtain, making it crucial to leverage all their prior knowledge. By creating concept-enriched models that incorporate concept information into existing architectures, we exploit their interpretable capabilities to the fullest extent. In particular, we propose Concept-Guided Conditional Diffusion, which can generate visual representations of concepts, and Concept-Guided Prototype Networks, which can create a concept prototype dataset and leverage it to perform interpretable concept prediction. These results open up new lines of research by exploiting pre-existing information in the quest for rendering machine learning more human-understandable.

Hierarchical Clustering for Conditional Diffusion in Image Generation

Finding clusters of data points with similar characteristics and generating new cluster-specific samples can significantly enhance our understanding of complex data distributions. While clustering has been widely explored using Variational Autoencoders, these models often lack generation quality in real-world datasets. This paper addresses this gap by introducing TreeDiffusion, a deep generative model that conditions Diffusion Models on hierarchical clusters to obtain high-quality, cluster-specific generations. The proposed pipeline consists of two steps: a VAE-based clustering model that learns the hierarchical structure of the data, and a conditional diffusion model that generates realistic images for each cluster. We propose this two-stage process to ensure that the generated samples remain representative of their respective clusters and enhance image fidelity to the level of diffusion models. A key strength of our method is its ability to create images for each cluster, providing better visualization of the learned representations by the clustering model, as demonstrated through qualitative results. This method effectively addresses the generative limitations of VAE-based approaches while preserving their clustering performance. Empirically, we demonstrate that conditioning diffusion models on hierarchical clusters significantly enhances generative performance, thereby advancing the state of generative clustering models.

From Logits to Hierarchies: Hierarchical Clustering made Simple

The structure of many real-world datasets is intrinsically hierarchical, making the modeling of such hierarchies a critical objective in both unsupervised and supervised machine learning. Recently, novel approaches for hierarchical clustering with deep architectures have been proposed. In this work, we take a critical perspective on this line of research and demonstrate that many approaches exhibit major limitations when applied to realistic datasets, partly due to their high computational complexity. In particular, we show that a lightweight procedure implemented on top of pre-trained non-hierarchical clustering models outperforms models designed specifically for hierarchical clustering. Our proposed approach is computationally efficient and applicable to any pre-trained clustering model that outputs logits, without requiring any fine-tuning. To highlight the generality of our findings, we illustrate how our method can also be applied in a supervised setup, recovering meaningful hierarchies from a pre-trained ImageNet classifier.

Stochastic Concept Bottleneck Models

Concept Bottleneck Models (CBMs) have emerged as a promising interpretable method whose final prediction is based on intermediate, human-understandable concepts rather than the raw input. Through time-consuming manual interventions, a user can correct wrongly predicted concept values to enhance the model's downstream performance. We propose Stochastic Concept Bottleneck Models (SCBMs), a novel approach that models concept dependencies. In SCBMs, a single-concept intervention affects all correlated concepts, thereby improving intervention effectiveness. Unlike previous approaches that model the concept relations via an autoregressive structure, we introduce an explicit, distributional parameterization that allows SCBMs to retain the CBMs' efficient training and inference procedure. Additionally, we leverage the parameterization to derive an effective intervention strategy based on the confidence region. We show empirically on synthetic tabular and natural image datasets that our approach improves intervention effectiveness significantly. Notably, we showcase the versatility and usability of SCBMs by examining a setting with CLIP-inferred concepts, alleviating the need for manual concept annotations.

scTree: Discovering Cellular Hierarchies in the Presence of Batch Effects in scRNA-seq Data

We propose a novel method, scTree, for single-cell Tree Variational Autoencoders, extending a hierarchical clustering approach to single-cell RNA sequencing data. scTree corrects for batch effects while simultaneously learning a tree-structured data representation. This VAE-based method allows for a more in-depth understanding of complex cellular landscapes independently of the biasing effects of batches. We show empirically on seven datasets that scTree discovers the underlying clusters of the data and the hierarchical relations between them, as well as outperforms established baseline methods across these datasets. Additionally, we analyze the learned hierarchy to understand its biological relevance, thus underpinning the importance of integrating batch correction directly into the clustering procedure.

Anomaly Detection by Context Contrasting

Anomaly Detection focuses on identifying samples that deviate from the norm. When working with high-dimensional data such as images, a crucial requirement for detecting anomalous patterns is learning lower-dimensional representations that capture normal concepts seen during training. Recent advances in self-supervised learning have shown great promise in this regard. However, many of the most successful self-supervised anomaly detection methods assume prior knowledge about the structure of anomalies and leverage synthetic anomalies during training. Yet, in many real-world applications, we do not know what to expect from unseen data, and we can solely leverage knowledge about normal data. In this work, we propose Con2, which addresses this problem by setting normal training data into distinct contexts while preserving its normal properties, letting us observe the data from different perspectives. Unseen normal data consequently adheres to learned context representations while anomalies fail to do so, letting us detect them without any knowledge about anomalies during training. Our experiments demonstrate that our approach achieves state-of-the-art performance on various benchmarks while exhibiting superior performance in a more realistic healthcare setting, where knowledge about potential anomalies is often scarce.

What Does Evaluation of Explainable Artificial Intelligence Actually Tell Us? A Case for Compositional and Contextual Validation of XAI Building Blocks

Despite significant progress, evaluation of explainable artificial intelligence remains elusive and challenging. In this paper we propose a fine-grained validation framework that is not overly reliant on any one facet of these sociotechnical systems, and that recognises their inherent modular structure: technical building blocks, user-facing explanatory artefacts and social communication protocols. While we concur that user studies are invaluable in assessing the quality and effectiveness of explanation presentation and delivery strategies from the explainees' perspective in a particular deployment context, the underlying explanation generation mechanisms require a separate, predominantly algorithmic validation strategy that accounts for the technical and human-centred desiderata of their (numerical) outputs. Such a comprehensive sociotechnical utility-based evaluation framework could allow to systematically reason about the properties and downstream influence of different building blocks from which explainable artificial intelligence systems are composed -- accounting for a diverse range of their engineering and social aspects -- in view of the anticipated use case.

Unity by Diversity: Improved Representation Learning in Multimodal VAEs

Variational Autoencoders for multimodal data hold promise for many tasks in data analysis, such as representation learning, conditional generation, and imputation. Current architectures either share the encoder output, decoder input, or both across modalities to learn a shared representation. Such architectures impose hard constraints on the model. In this work, we show that a better latent representation can be obtained by replacing these hard constraints with a soft constraint. We propose a new mixture-of-experts prior, softly guiding each modality's latent representation towards a shared aggregate posterior. This approach results in a superior latent representation and allows each encoding to preserve information from its uncompressed original features better. In extensive experiments on multiple benchmark datasets and a challenging real-world neuroscience data set, we show improved learned latent representations and imputation of missing data modalities compared to existing methods.