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We present a class of algorithms capable of directly training deep neural networks with respect to large families of task-specific performance measures such as the F-measure and the Kullback-Leibler divergence that are structured and…

Machine Learning · Statistics 2021-09-22 Amartya Sanyal , Pawan Kumar , Purushottam Kar , Sanjay Chawla , Fabrizio Sebastiani

The Generative Flow Network (GFlowNet) is a probabilistic framework in which an agent learns a stochastic policy and flow functions to sample objects proportionally to an unnormalized reward function. A number of recent works explored…

Machine Learning · Computer Science 2025-06-03 Haoran He , Emmanuel Bengio , Qingpeng Cai , Ling Pan

GFlowNets are a promising alternative to MCMC sampling for discrete compositional random variables. Training GFlowNets requires repeated evaluations of the unnormalized target distribution or reward function. However, for large-scale…

Machine Learning · Computer Science 2024-06-06 Tiago da Silva , Luiz Max Carvalho , Amauri Souza , Samuel Kaski , Diego Mesquita

In this paper, we present a novel learning framework for finding shortest paths in graphs utilizing Generative Flow Networks (GFlowNets). First, we examine theoretical properties of GFlowNets in non-acyclic environments in relation to…

Machine Learning · Computer Science 2026-03-03 Nikita Morozov , Ian Maksimov , Daniil Tiapkin , Sergey Samsonov

There are many frameworks for deep generative modeling, each often presented with their own specific training algorithms and inference methods. Here, we demonstrate the connections between existing deep generative models and the recently…

Machine Learning · Computer Science 2023-02-01 Dinghuai Zhang , Ricky T. Q. Chen , Nikolay Malkin , Yoshua Bengio

Generative Flow Networks (GFlowNets) treat sampling from distributions over compositional discrete spaces as a sequential decision-making problem, training a stochastic policy to construct objects step by step. Recent studies have revealed…

Machine Learning · Computer Science 2024-06-21 Nikita Morozov , Daniil Tiapkin , Sergey Samsonov , Alexey Naumov , Dmitry Vetrov

We propose in this paper a novel approach to tackle the problem of mode collapse encountered in generative adversarial network (GAN). Our idea is intuitive but proven to be very effective, especially in addressing some key limitations of…

Machine Learning · Computer Science 2017-09-13 Tu Dinh Nguyen , Trung Le , Hung Vu , Dinh Phung

Generative models frequently suffer miscalibration, wherein statistics of the sampling distribution, such as the fraction of generations in a given class, deviate from desired values. We frame calibration as a constrained optimization…

Machine Learning · Statistics 2026-05-29 Henry D. Smith , Nathaniel L. Diamant , Brian L. Trippe

Generative Flow Network (GFlowNet) objectives implicitly fix an equal mixing of forward and backward policies, potentially constraining the exploration-exploitation trade-off during training. By further exploring the link between GFlowNets…

Artificial Intelligence · Computer Science 2026-02-27 Lin Chen , Samuel Drapeau , Fanghao Shao , Xuekai Zhu , Bo Xue , Yunchong Song , Mathieu Laurière , Zhouhan Lin

Generative Flow Networks (GFlowNets) have demonstrated significant performance improvements for generating diverse discrete objects $x$ given a reward function $R(x)$, indicating the utility of the object and trained independently from the…

Machine Learning · Computer Science 2022-11-03 Chanakya Ekbote , Moksh Jain , Payel Das , Yoshua Bengio

Drug-drug interactions pose a significant challenge in clinical pharmacology, with severe class imbalance among interaction types limiting the effectiveness of predictive models. Common interactions dominate datasets, while rare but…

Machine Learning · Computer Science 2025-10-31 Azmine Toushik Wasi

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…

Populations and Evolution · Quantitative Biology 2024-03-26 Mingyang Zhou , Zichao Yan , Elliot Layne , Nikolay Malkin , Dinghuai Zhang , Moksh Jain , Mathieu Blanchette , Yoshua Bengio

Diffusion models have become the de-facto approach for generating visual data, which are trained to match the distribution of the training dataset. In addition, we also want to control generation to fulfill desired properties such as…

Machine Learning · Computer Science 2024-12-30 Dinghuai Zhang , Yizhe Zhang , Jiatao Gu , Ruixiang Zhang , Josh Susskind , Navdeep Jaitly , Shuangfei Zhai

We present energy-based generative flow networks (EB-GFN), a novel probabilistic modeling algorithm for high-dimensional discrete data. Building upon the theory of generative flow networks (GFlowNets), we model the generation process by a…

Machine Learning · Computer Science 2022-06-10 Dinghuai Zhang , Nikolay Malkin , Zhen Liu , Alexandra Volokhova , Aaron Courville , Yoshua Bengio

We introduce a new paradigm for generative modeling built on Continuous Normalizing Flows (CNFs), allowing us to train CNFs at unprecedented scale. Specifically, we present the notion of Flow Matching (FM), a simulation-free approach for…

Machine Learning · Computer Science 2023-02-09 Yaron Lipman , Ricky T. Q. Chen , Heli Ben-Hamu , Maximilian Nickel , Matt Le

Achieving a balance between image quality (precision) and diversity (recall) is a significant challenge in the domain of generative models. Current state-of-the-art models primarily rely on optimizing heuristics, such as the Fr\'echet…

Machine Learning · Computer Science 2023-11-02 Alexandre Verine , Benjamin Negrevergne , Muni Sreenivas Pydi , Yann Chevaleyre

Generative diffusion models are extensively used in unsupervised and self-supervised machine learning with the aim to generate new samples from a probability distribution estimated with a set of known samples. They have demonstrated…

Fluid Dynamics · Physics 2026-01-28 Wilfried Genuist , Éric Savin , Filippo Gatti , Didier Clouteau

Diffusion models have recently achieved remarkable success in generative modeling, yet their training dynamics across different noise levels remain highly imbalanced, which can lead to inefficient optimization and unstable learning…

Machine Learning · Computer Science 2026-03-12 Nanlong Sun , Lei Shi

This paper provides a detailed investigation of using the Kullback-Leibler (KL) Divergence as a way to compare and analyse game-levels, and hence to use the measure as the objective function of an evolutionary algorithm to evolve new…

Neural and Evolutionary Computing · Computer Science 2019-05-14 Simon M. Lucas , Vanessa Volz

Normalizing flows can generate complex target distributions and thus show promise in many applications in Bayesian statistics as an alternative or complement to MCMC for sampling posteriors. Since no data set from the target posterior…

Machine Learning · Statistics 2021-07-19 Marylou Gabrié , Grant M. Rotskoff , Eric Vanden-Eijnden
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