Magda Gregorova

Yoann Boget, Magda Gregorova, Alexandros Kalousis

Despite advances in generative methods, accurately modeling the distribution of graphs remains a challenging task primarily because of the absence of predefined or inherent unique graph representation. Two main strategies have emerged to tackle this issue: 1) restricting the number of possible representations by sorting the nodes, or 2) using permutation-invariant/equivariant functions, specifically Graph Neural Networks (GNNs). In this paper, we introduce a new framework named Discrete Graph Auto-Encoder (DGAE), which leverages the strengths of both strategies and mitigate their respective limitations. In essence, we propose a strategy in 2 steps. We first use a permutation-equivariant auto-encoder to convert graphs into sets of discrete latent node representations, each node being represented by a sequence of quantized vectors. In the second step, we sort the sets of discrete latent representations and learn their distribution with a specifically designed auto-regressive model based on the Transformer architecture. Through multiple experimental evaluations, we demonstrate the competitive performances of our model in comparison to the existing state-of-the-art across various datasets. Various ablation studies support the interest of our method.

Yoann Boget, Magda Gregorova, Alexandros Kalousis

We consider the problem of modelling high-dimensional distributions and generating new examples of data with complex relational feature structure coherent with a graph skeleton. The model we propose tackles the problem of generating the data features constrained by the specific graph structure of each data point by splitting the task into two phases. In the first it models the distribution of features associated with the nodes of the given graph, in the second it complements the edge features conditionally on the node features. We follow the strategy of implicit distribution modelling via generative adversarial network (GAN) combined with permutation equivariant message passing architecture operating over the sets of nodes and edges. This enables generating the feature vectors of all the graph objects in one go (in 2 phases) as opposed to a much slower one-by-one generations of sequential models, prevents the need for expensive graph matching procedures usually needed for likelihood-based generative models, and uses efficiently the network capacity by being insensitive to the particular node ordering in the graph representation. To the best of our knowledge, this is the first method that models the feature distribution along the graph skeleton allowing for generations of annotated graphs with user specified structures. Our experiments demonstrate the ability of our model to learn complex structured distributions through quantitative evaluation over three annotated graph datasets.

Philipp Vaeth, Alexander M. Fruehwald, Benjamin Paassen et al.

Latest methods for visual counterfactual explanations (VCE) harness the power of deep generative models to synthesize new examples of high-dimensional images of impressive quality. However, it is currently difficult to compare the performance of these VCE methods as the evaluation procedures largely vary and often boil down to visual inspection of individual examples and small scale user studies. In this work, we propose a framework for systematic, quantitative evaluation of the VCE methods and a minimal set of metrics to be used. We use this framework to explore the effects of certain crucial design choices in the latest diffusion-based generative models for VCEs of natural image classification (ImageNet). We conduct a battery of ablation-like experiments, generating thousands of VCEs for a suite of classifiers of various complexity, accuracy and robustness. Our findings suggest multiple directions for future advancements and improvements of VCE methods. By sharing our methodology and our approach to tackle the computational challenges of such a study on a limited hardware setup (including the complete code base), we offer a valuable guidance for researchers in the field fostering consistency and transparency in the assessment of counterfactual explanations.

Philipp Vaeth, Alexander M. Fruehwald, Benjamin Paassen et al.

Recently, several methods have leveraged deep generative modeling to produce example-based explanations of image classifiers. Despite producing visually stunning results, these methods are largely disconnected from classical explainability literature. This conceptual and communication gap leads to misunderstandings and misalignments in goals and expectations. In this paper, we bridge this gap by proposing a probabilistic framework for example-based explanations, formally defining the example-based explanations in a probabilistic manner amenable for modeling via deep generative models while coherent with the critical characteristics and desiderata widely accepted in the explainability community. Our aim is on one hand to provide a constructive framework for the development of well-grounded generative algorithms for example-based explanations and, on the other, to facilitate communication between the generative and explainability research communities, foster rigor and transparency, and improve the quality of peer discussion and research progress in this promising direction.

Philipp Vaeth, Alexander M. Fruehwald, Benjamin Paassen et al.

To sample from an unconditionally trained Denoising Diffusion Probabilistic Model (DDPM), classifier guidance adds conditional information during sampling, but the gradients from classifiers, especially those not trained on noisy images, are often unstable. This study conducts a gradient analysis comparing robust and non-robust classifiers, as well as multiple gradient stabilization techniques. Experimental results demonstrate that these techniques significantly improve the quality of class-conditional samples for non-robust classifiers by providing more stable and informative classifier guidance gradients. The findings highlight the importance of gradient stability in enhancing the performance of classifier guidance, especially on non-robust classifiers.

Yoann Boget, Magda Gregorova, Alexandros Kalousis

One of the most discussed issues in graph generative modeling is the ordering of the representation. One solution consists of using equivariant generative functions, which ensure the ordering invariance. After having discussed some properties of such functions, we propose 3G-GAN, a 3-stages model relying on GANs and equivariant functions. The model is still under development. However, we present some encouraging exploratory experiments and discuss the issues still to be addressed.

Magda Gregorova

In this thesis we discuss machine learning methods performing automated variable selection for learning sparse predictive models. There are multiple reasons for promoting sparsity in the predictive models. By relying on a limited set of input variables the models naturally counteract the overfitting problem ubiquitous in learning from finite sets of training points. Sparse models are cheaper to use for predictions, they usually require lower computational resources and by relying on smaller sets of inputs can possibly reduce costs for data collection and storage. Sparse models can also contribute to better understanding of the investigated phenomenons as they are easier to interpret than full models.

Frantzeska Lavda, Jason Ramapuram, Magda Gregorova et al.

Continual learning is the ability to sequentially learn over time by accommodating knowledge while retaining previously learned experiences. Neural networks can learn multiple tasks when trained on them jointly, but cannot maintain performance on previously learned tasks when tasks are presented one at a time. This problem is called catastrophic forgetting. In this work, we propose a classification model that learns continuously from sequentially observed tasks, while preventing catastrophic forgetting. We build on the lifelong generative capabilities of [10] and extend it to the classification setting by deriving a new variational bound on the joint log likelihood, $\log p(x; y)$.

Magda Gregorova, Alexandros Kalousis, Stephane Marchand-Maillet

We present a new method for forecasting systems of multiple interrelated time series. The method learns the forecast models together with discovering leading indicators from within the system that serve as good predictors improving the forecast accuracy and a cluster structure of the predictive tasks around these. The method is based on the classical linear vector autoregressive model (VAR) and links the discovery of the leading indicators to inferring sparse graphs of Granger causality. We formulate a new constrained optimisation problem to promote the desired sparse structures across the models and the sharing of information amongst the learning tasks in a multi-task manner. We propose an algorithm for solving the problem and document on a battery of synthetic and real-data experiments the advantages of our new method over baseline VAR models as well as the state-of-the-art sparse VAR learning methods.

Jason Ramapuram, Magda Gregorova, Alexandros Kalousis

Lifelong learning is the problem of learning multiple consecutive tasks in a sequential manner, where knowledge gained from previous tasks is retained and used to aid future learning over the lifetime of the learner. It is essential towards the development of intelligent machines that can adapt to their surroundings. In this work we focus on a lifelong learning approach to unsupervised generative modeling, where we continuously incorporate newly observed distributions into a learned model. We do so through a student-teacher Variational Autoencoder architecture which allows us to learn and preserve all the distributions seen so far, without the need to retain the past data nor the past models. Through the introduction of a novel cross-model regularizer, inspired by a Bayesian update rule, the student model leverages the information learned by the teacher, which acts as a probabilistic knowledge store. The regularizer reduces the effect of catastrophic interference that appears when we learn over sequences of distributions. We validate our model's performance on sequential variants of MNIST, FashionMNIST, PermutedMNIST, SVHN and Celeb-A and demonstrate that our model mitigates the effects of catastrophic interference faced by neural networks in sequential learning scenarios.

Magda Gregorova, Alexandros Kalousis, Stéphane Marchand-Maillet

We consider the problem of learning models for forecasting multiple time-series systems together with discovering the leading indicators that serve as good predictors for the system. We model the systems by linear vector autoregressive models (VAR) and link the discovery of leading indicators to inferring sparse graphs of Granger-causality. We propose new problem formulations and develop two new methods to learn such models, gradually increasing the complexity of assumptions and approaches. While the first method assumes common structures across the whole system, our second method uncovers model clusters based on the Granger-causality and leading indicators together with learning the model parameters. We study the performance of our methods on a comprehensive set of experiments and confirm their efficacy and their advantages over state-of-the-art sparse VAR and graphical Granger learning methods.