Publisher Copyright: © 2026 The Author(s) | openaire: EC/H2020/951847/EU//ELISE

Generative Flow Networks (GFlowNets) are an emerging class of sampling methods for distributions over discrete and compositional objects, e.g., graphs. In spite of their remarkable success in problems such as drug discovery and phylogenetic inference, the question of when and whether GFlowNets learn to sample from the target distribution remains underexplored. To tackle this issue, we first assess the extent to which a violation of the detailed balance of the underlying flow network might hamper the correctness of GFlowNet's sampling distribution. In particular, we demonstrate that the impact of an imbalanced edge on the model's accuracy is influenced by the total amount of flow passing through it and, as a consequence, is unevenly distributed across the network. We also argue that, depending on the parameterization, imbalance may be inevitable. In this regard, we consider the problem of sampling from distributions over graphs with GFlowNets parameterized by graph neural networks (GNNs) and show that the representation limits of GNNs delineate which distributions these GFlowNets can approximate. Lastly, we address these limitations by proposing a theoretically sound and computationally tractable metric for assessing GFlowNets, experimentally showing it is a better proxy for correctness than popular evaluation protocols.

Generative Flow Networks (GFlowNets) are amortized samplers of unnormalized distributions over compositional objects with applications to causal discovery, NLP, and drug design. Recently, it was shown that GFlowNets can be framed as a hierarchical variational inference (HVI) method for discrete distributions. Despite this equivalence, attempts to train GFlowNets using traditional divergence measures as learning objectives were unsuccessful. Instead, current approaches for training these models rely on minimizing the log-squared difference between a proposal (forward policy) and a target (backward policy) distributions. In this work, we first formally extend the relationship between GFlowNets and HVI to distributions on arbitrary measurable topological spaces. Then, we empirically show that the ineffectiveness of divergence-based learning of GFlowNets is due to large gradient variance of the corresponding stochastic objectives. To address this issue, we devise a collection of provably variance-reducing control variates for gradient estimation based on the REINFORCE leave-one-out estimator. Our experimental results suggest that the resulting algorithms often accelerate training convergence when compared against previous approaches. All in all, our work contributes by narrowing the gap between GFlowNet training and HVI, paving the way for algorithmic advancements inspired by the divergence minimization viewpoint.

The behavior of many Bayesian models used in machine learning critically depends on the choice of prior distributions, controlled by some hyperparameters typically selected through Bayesian optimization or cross-validation. This requires repeated, costly, posterior inference. We provide an alternative for selecting good priors without carrying out posterior inference, building on the prior predictive distribution that marginalizes the model parameters. We estimate virtual statistics for data generated by the prior predictive distribution and then optimize over the hyperparameters to learn those for which the virtual statistics match the target values provided by the user or estimated from (a subset of) the observed data. We apply the principle for probabilistic matrix factorization, for which good solutions for prior selection have been missing. We show that for Poisson factorization models we can analytically determine the hyperparameters, including the number of factors, that best replicate the target statistics, and we empirically study the sensitivity of the approach for the model mismatch. We also present a model-independent procedure that determines the hyperparameters for general models by stochastic optimization and demonstrate this extension in the context of hierarchical matrix factorization models.

In recent years session-based recommendation has emerged as an increasingly applicable type of recommendation. As sessions consist of sequences of events, this type of recommendation is a natural fit for Recurrent Neural Networks (RNNs). Several additions have been proposed for extending such models in order to handle specific problems or data. Two such extensions are 1.) modeling of inter-session relations for catching long term dependencies over user sessions, and 2.) modeling temporal aspects of user-item interactions. The former allows the session-based recommendation to utilize extended session history and inter-session information when providing new recommendations. The latter has been used to both provide state-of-the-art predictions for when the user will return to the service and also for improving recommendations. In this work, we combine these two extensions in a joint model for the tasks of recommendation and return-time prediction. The model consists of a Hierarchical RNN for the inter-session and intra-session items recommendation extended with a Point Process model for the time-gaps between the sessions. The experimental results indicate that the proposed model improves recommendations significantly on two datasets over a strong baseline, while simultaneously improving return-time predictions over a baseline return-time prediction model.

This project is focused on the design of probabilistic models for recommender systems and collaborative ltering by extending and creating new models to include rich contextual and content information (content, user social network, location, time, user intent, etc), and developing scalable approximate inference algorithms for these models. The working hypothesis is that big data analytics combined with probabilistic modelling, through automatically mining of various data sources and combining di erent latent factors explaining the user interaction with the items, can be used to better infer the user behaviour and generate improved recommendations.