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Deep learning is emerging as an effective tool in drug discovery, with potential applications in both predictive and generative models. Generative Flow Networks (GFlowNets/GFNs) are a recently introduced method recognized for the ability to…
Phylogenetics is a branch of computational biology that studies the evolutionary relationships among biological entities. Its long history and numerous applications notwithstanding, inference of phylogenetic trees from sequence data remains…
This paper studies generative flow networks (GFlowNets) to sample objects from the Boltzmann energy distribution via a sequence of actions. In particular, we focus on improving GFlowNet with partial inference: training flow functions with…
Bayesian Flow Networks (BFNs) has been recently proposed as one of the most promising direction to universal generative modelling, having ability to learn any of the data type. Their power comes from the expressiveness of neural networks…
Generative Flow Networks (GFlowNets; GFNs) are a class of generative models that learn to sample compositional objects proportionally to their a priori unknown value, their reward. We focus on the case where the reward has a specified,…
The performance of sensor arrays in sensing and wireless communications improves with more elements, but this comes at the cost of increased energy consumption and hardware expense. This work addresses the challenge of selecting $k$ sensor…
Generative flow networks (GFlowNets) are amortized variational inference algorithms that treat sampling from a distribution over compositional objects as a sequential decision-making problem with a learnable action policy. Unlike other…
Deep learning has arguably achieved tremendous success in recent years. In simple words, deep learning uses the composition of many nonlinear functions to model the complex dependency between input features and labels. While neural networks…
Multimedia systems underpin modern digital interactions, facilitating seamless integration and optimization of resources across diverse multimedia applications. To meet growing personalization demands, multimedia systems must efficiently…
This work applies Generative Flow Networks (GFlowNets) to three graph optimization problems: the Traveling Salesperson Problem, Minimum Spanning Tree, and Shortest Path. GFlowNets are generative models that learn to sample solutions…
Generative Flow Networks (GFlowNets) are a flexible family of amortized samplers trained to generate discrete and compositional objects with probability proportional to a reward function. However, learning efficiency is constrained by the…
This paper is about the problem of learning a stochastic policy for generating an object (like a molecular graph) from a sequence of actions, such that the probability of generating an object is proportional to a given positive reward for…
This paper builds bridges between two families of probabilistic algorithms: (hierarchical) variational inference (VI), which is typically used to model distributions over continuous spaces, and generative flow networks (GFlowNets), which…
Although Generative Flow Networks (GFlowNets) are designed to capture multiple modes of a reward function, they often suffer from mode collapse in practice, getting trapped in early-discovered modes and requiring prolonged training to find…
Gating mechanisms have emerged as an effective strategy integrated into model designs beyond recurrent neural networks for addressing long-range dependency problems. In a broad understanding, it provides adaptive control over the…
While Markov chain Monte Carlo methods (MCMC) provide a general framework to sample from a probability distribution defined up to normalization, they often suffer from slow convergence to the target distribution when the latter is highly…
Unitary Synthesis, the decomposition of a unitary matrix into a sequence of quantum gates, is a fundamental challenge in quantum compilation. Prevailing reinforcement learning (RL) approaches are often hampered by sparse reward signals,…
We present two novel generative geometric deep learning frameworks, termed Flow Matching PointNet and Diffusion PointNet, for predicting fluid flow variables on irregular geometries by incorporating PointNet into flow matching and diffusion…
Diffusion and flow-based models have become the state of the art for generative AI across a wide range of data modalities, including images, videos, shapes, molecules, music, and more. This tutorial provides a self-contained introduction to…
Generative Flow Networks (GFlowNets), a new family of probabilistic samplers, have demonstrated remarkable capabilities to generate diverse sets of high-reward candidates, in contrast to standard return maximization approaches (e.g.,…