Generative Flow Networks for Discrete Probabilistic Modeling

Dinghuai ZhangNikolay MalkinZhen LiuAlexandra VolokhovaAaron C. CourvilleYoshua Bengio

article2022ICML141 citations

Proposes energy-based generative flow networks to overcome the slow mixing of traditional MCMC methods in high-dimensional discrete spaces by jointly training an energy function alongside a generative policy that amortizes mode-hopping exploration.

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High-dimensional discrete data—such as binary images, text tokens, and symbolic graphs—present major challenges for standard probabilistic generative modeling. Classical energy-based approaches rely heavily on Markov Chain Monte Carlo (MCMC) methods to generate negative samples during training. However, in discrete spaces with complex, separated probability clusters (modes), traditional MCMC mixes slowly and often fails to traverse low-probability barriers. This leads to the discovery of spurious modes and inaccurate data representation, hindering effective deployment in complex real-world domains.

The article introduces and evaluates Energy-Based Generative Flow Networks (EB-GFN), a joint framework that trains an energy function alongside a generative flow network (GFlowNet) sampler directly from discrete datasets. The primary objective is to demonstrate that amortizing the sampling process into a learned stochastic policy enables efficient transitions across separated modes and improves discrete probabilistic modeling without needing predefined structural priors.

The authors construct a non-autoregressive sequential generation policy where discrete data vectors are constructed step-by-step through a directed acyclic graph. Training alternates between updating the GFlowNet via a trajectory balance objective using the current energy model as a reward signal, and updating the energy function using approximate maximum likelihood estimation driven by negative samples from the GFlowNet. The framework also implements a back-and-forth proposal mechanism combining backward erasure and forward construction to approximate high-dimensional block Gibbs sampling. The methodology was evaluated across synthetic 2D datasets remapped to binary strings via Gray codes, physics-based Ising models, and high-dimensional discrete image benchmarks including MNIST, Omniglot, and Caltech Silhouettes.

The experiments show that EB-GFN consistently outperforms or matches established baselines. In Ising model structure recovery, EB-GFN accurately inferred full interaction matrices from discrete samples, showing clear advantages over standard Gibbs and gradient-guided Gibbs sampling on complex, multi-modal negative coupling tasks. On 2D synthetic benchmarks, EB-GFN achieved lower test negative log-likelihood across all datasets and delivered better sample quality than comparable baselines without requiring oversized networks. On high-dimensional discrete image tasks, EB-GFN outperformed existing state-of-the-art methods in test likelihood on three of four benchmarks, including Omniglot and Caltech Silhouettes, and generated sharper visual reconstructions.

These findings indicate that discrete generative modeling can be significantly accelerated and stabilized by replacing iterative MCMC chains with trained sequential policies. By discovering and exploiting structural regularities in data distributions, the framework eliminates the computational bottlenecks and sample quality degradation typical of local MCMC exploration. This reduces training instability and lowers downstream sampling costs, making energy-based discrete modeling more viable for practical applications.

Organizations working with high-dimensional discrete representations should consider adopting GFlowNet-based samplers as an alternative to standard MCMC in generative pipelines. For implementation, practitioners should incorporate gradual proposal scheduling—starting from small local updates and expanding to full-dimension generation—and apply architectural enhancements such as layer normalization, which substantially boosted image modeling likelihoods in the study. Further research is recommended to explore iterating trained GFlowNet proposals as persistent exploration kernels and extending the framework to broader discrete domains such as biological sequences and program synthesis.

The main limitations include the requirement to train two interacting neural networks simultaneously, which increases optimization complexity compared to standalone models. In addition, ablation studies indicate that on challenging benchmarks like discrete image modeling, convergence relies heavily on both the back-and-forth proposal schedule and reverse trajectory sampling. Nevertheless, given the consistent performance gains across synthetic and benchmark tasks, confidence in the core findings remains high for binary discrete spaces.

arXiv: 2202.01361
  • Paper: GFlowNet Foundations, Yoshua Bengio et al. (2023). Builds an extensive and rigorous mathematical framework for the theory, objectives, and flow properties of Generative Flow Networks established across discrete probabilistic applications.
  • Paper: Joint Bayesian Inference of Graphical Structure and Parameters with a Single Generative Flow Network, Tristan Deleu et al. (2023). Extends GFlowNets to complex Bayesian inference tasks over discrete and continuous graphical structures and parameters, continuing the amortized generation principles explored here.
  • Paper: Local Search GFlowNets, Minsu Kim et al. (2024). Enhances discrete GFlowNet sampling and exploration efficiency by combining amortized flow generation with local search algorithms.
Cover for Generative Flow Networks for Discrete Probabilistic Modeling

Abstract

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; Bengio et al., 2021b), we model the generation process by a stochastic data construction policy and thus amortize expensive MCMC exploration into a fixed number of actions sampled from a GFlowNet. We show how GFlowNets can approximately perform large-block Gibbs sampling to mix between modes. We propose a framework to jointly train a GFlowNet with an energy function, so that the GFlowNet learns to sample from the energy distribution, while the energy learns with an approximate MLE objective with negative samples from the GFlowNet. We demonstrate EB-GFN's effectiveness on various probabilistic modeling tasks. Code is publicly available at github.com/zdhnarsil/EB_GFN.

Table of Contents

  • 1. Introduction
  • 2. Preliminaries
  • 2.1. GFlowNets
  • 2.2. Energy-based models
  • 3. Methodology
  • 3.1. GFlowNet generative process
  • 3.2. GFlowNet training towards a target distribution
  • 3.3. Interleaved updates of GFlowNet and energy
  • 4. Experiments
  • 4.1. Ising models
  • 4.2. Synthetic tasks
  • 4.3. Discrete image modeling
  • 5. Related Work
  • 6. Conclusion
  • Acknowledgement
  • References
  • A. Summary of GFlowNet notation
  • B. Proofs of propositions
  • C. More about experiments
  • C.1. Ising models
  • C.2. Synthetic tasks
  • C.3. Discrete image modeling

Knowls

  1. Knowl 1 — Non-autoregressive discrete GFlowNet construction

    model/method

    The paper represents a binary data vector x∈X={0,1}Dx\in\mathcal{X}=\{0,1\}^{D} using a directed acyclic state graph whose states are partially specified vectors

    S={(s1,…,sD):sd∈{0,1,∅}, d=1,…,D}.\mathcal{S}=\{(s^1,\ldots,s^D):s^d\in\{0,1,\varnothing\},\ d=1,\ldots,D\}.

    Here ∅\varnothing denotes an unassigned coordinate. Generation starts at s0=(∅,…,∅)s_0=(\varnothing,\ldots,\varnothing) and terminates after exactly DD actions, each of which selects one unassigned coordinate and sets it to 00 or 11. Thus, a terminal vector can be reached through many trajectories corresponding to different coordinate-ordering decisions. A forward policy PF(⋅∣s)P_F(\cdot\mid s) assigns probabilities to the 2(D−∣s∣)2(D-|s|) possible assignments at state ss, where ∣s∣|s| is the number of assigned coordinates. A backward policy PB(⋅∣s)P_B(\cdot\mid s) assigns probabilities to the ∣s∣|s| possible coordinate erasures.

    The forward and backward policies are implemented with multilayer perceptrons. The input encodes ∅\varnothing as −1-1 and shares all hidden-layer weights between the two policies; only their final action-logit matrices differ. The scalar flow normalizer ZZ is parameterized through log⁡Z\log Z. This learned construction order allows the model to represent compositional regularities without imposing a fixed autoregressive ordering.

  2. Knowl 2 — Trajectory-balance training of the GFlowNet

    equation

    For a complete trajectory τ=(s0→s1→⋯→sn)\tau=(s_0\to s_1\to\cdots\to s_n) ending at terminal state sn∈Xs_n\in\mathcal{X}, the GFlowNet is trained with the squared trajectory-balance loss

    Lθ(τ)=[log⁡(Zθ∏t=0n−1PF(st+1∣st;θ)R(sn)∏t=0n−1PB(st∣st+1;θ))]2.\mathcal{L}_\theta(\tau)=\left[\log\left(\frac{Z_\theta\prod_{t=0}^{n-1}P_F(s_{t+1}\mid s_t;\theta)}{R(s_n)\prod_{t=0}^{n-1}P_B(s_t\mid s_{t+1};\theta)}\right)\right]^2.

    Here θ\theta denotes GFlowNet parameters, R:X→R≥0R:\mathcal{X}\to\mathbb{R}_{\ge 0} is the terminal reward, Zθ>0Z_\theta>0 is the learned normalizing flow, and PFP_F and PBP_B are the forward and backward transition probabilities. The loss is evaluated on trajectories sampled either forward from s0s_0 or backward from a data example xx using PBP_B.

    If the loss is zero for every complete trajectory with positive reward, the terminal distribution induced by the forward policy satisfies PT(x)∝R(x)P_T(x)\propto R(x), where PT(x)P_T(x) is the probability that forward sampling terminates at xx. Backward sampling from observed data is useful because it places training trajectories near data-supported regions that may be poorly visited by the current forward policy.

  3. Knowl 3 — Alternating EB-GFN joint-training procedure

    algorithm

    EB-GFN jointly learns an energy function and a GFlowNet from a dataset {xi}\{x_i\} without access to the normalized target distribution. The energy function Eϕ(x)E_\phi(x) supplies the GFlowNet reward R(x)=e−Eϕ(x)R(x)=e^{-E_\phi(x)}, while the GFlowNet supplies negative samples for training EϕE_\phi.

    Input: training dataset {x_i}, mixture coefficient α ∈ [0,1], GFlowNet parameters θ, energy parameters ϕ
    Output: trained forward policy P_F, backward policy P_B, flow normalizer Z_θ, and energy E_ϕ
    Initialize P_F, P_B, Z_θ, and E_ϕ
    repeat
        Draw b ∼ Bernoulli(α)
        if b = 1 then
            Sample a complete trajectory τ forward from s_0 using P_F
        else
            Uniformly sample a data point x_i
            Sample a complete trajectory τ backward from x_i using P_B
        end if
        Update θ by a gradient step on the trajectory-balance loss using reward R(x)=e^{-E_ϕ(x)}
        Generate a negative terminal state x' with the GFlowNet-guided back-and-forth proposal
        Update ϕ using the gradient of E_ϕ(x)-E_ϕ(x') for a sampled data point x
    until a convergence condition is reached

    The paper uses α=1\alpha=1 and K=DK=D for the Ising experiments, and α=0.5\alpha=0.5 with KK increasing linearly from 11 to DD for the synthetic and image experiments. The proposal-based energy update is performed once per energy update rather than iterating the proposal kernel to convergence. The method produces both a direct sampler, the trained forward GFlowNet, and an energy-based model.

  4. Knowl 4 — Energy learning with GFlowNet-generated negative samples

    equation

    The energy model defines a distribution over the finite binary space X\mathcal{X} by

    pϕ(x)=e−Eϕ(x)Zϕ,Zϕ=∑y∈Xe−Eϕ(y),p_\phi(x)=\frac{e^{-E_\phi(x)}}{Z_\phi},\qquad Z_\phi=\sum_{y\in\mathcal{X}}e^{-E_\phi(y)},

    where EϕE_\phi is the learned energy, ϕ\phi its parameters, and ZϕZ_\phi the intractable normalizer. The exact negative-log-likelihood gradient for a data point xx is

    −∇ϕlog⁡pϕ(x)=∇ϕEϕ(x)−Ex′∼pϕ[∇ϕEϕ(x′)].-\nabla_\phi\log p_\phi(x)=\nabla_\phi E_\phi(x)-\mathbb{E}_{x'\sim p_\phi}\left[\nabla_\phi E_\phi(x')\right].

    EB-GFN replaces the intractable model expectation with terminal samples x′∼PTx'\sim P_T, where PTP_T is the distribution induced by the GFlowNet forward policy:

    Ex∼pdata[∇ϕEϕ(x)]−Ex′∼PT[∇ϕEϕ(x′)].\mathbb{E}_{x\sim p_{\mathrm{data}}}\left[\nabla_\phi E_\phi(x)\right]-\mathbb{E}_{x'\sim P_T}\left[\nabla_\phi E_\phi(x')\right].

    If the GFlowNet exactly matches the energy reward, so that PT(x)=pϕ(x)P_T(x)=p_\phi(x), this update is an unbiased maximum-likelihood gradient for the energy model. During joint training, the GFlowNet therefore amortizes the negative-sample search that would otherwise require expensive MCMC.

  5. Knowl 5 — GFlowNet back-and-forth Metropolis–Hastings proposal

    algorithm

    Given a terminal binary vector xx, an integer horizon KK with 1≤K≤D1\le K\le D, and current policies PBP_B and PFP_F, EB-GFN constructs a large-block proposal as follows. First, sample KK erasures backward from x=sDx=s_D to a partial state sD−Ks_{D-K} using PBP_B. Then, starting from the same partial state, sample KK assignments forward using PFP_F until reaching a proposed terminal vector x′=sD′x'=s'_D.

    The proposal changes at most KK coordinates. For the sampled backward path τ\tau and forward path τ′\tau', define

    PB(τ∣x)=∏t=D−KD−1PB(st∣st+1),PF(τ′)=∏t=D−KD−1PF(st+1′∣st′),P_B(\tau\mid x)=\prod_{t=D-K}^{D-1}P_B(s_t\mid s_{t+1}),\qquad P_F(\tau')=\prod_{t=D-K}^{D-1}P_F(s'_{t+1}\mid s'_t),

    with sD−K′=sD−Ks'_{D-K}=s_{D-K}. The reverse move from x′x' to xx uses the reverse path probabilities PB(τ′∣x′)P_B(\tau'\mid x') and PF(τ)P_F(\tau). The proposal is accepted with probability

    Aτ,τ′(x→x′)=min⁡{1,e−Eϕ(x′) PB(τ∣x)PF(τ′)e−Eϕ(x) PB(τ′∣x′)PF(τ)}.A_{\tau,\tau'}(x\to x')=\min\left\{1,\frac{e^{-E_\phi(x')}\,P_B(\tau\mid x)P_F(\tau')}{e^{-E_\phi(x)}\,P_B(\tau'\mid x')P_F(\tau)}\right\}.

    If the proposal is rejected, the negative sample is set to xx; otherwise it is x′x'. Repeating this transition has the energy distribution proportional to e−Eϕ(x)e^{-E_\phi(x)} as its stationary distribution. In EB-GFN training, one such transition is used to obtain each negative example, rather than running a long MCMC chain.

  6. Knowl 6 — Perfect GFlowNet fitting eliminates proposal rejection

    theoretical result

    Suppose the GFlowNet satisfies the reward-matching condition for the energy reward R(x)=e−Eϕ(x)R(x)=e^{-E_\phi(x)}: the total trajectory flow terminating at every terminal state xx equals R(x)R(x). For any terminal state xx, any proposed terminal state x′x', and any pair of sampled backward and forward paths connecting them through a shared partial state, the path-probability ratio obeys

    e−Eϕ(x)PB(τ∣x)PF(τ′)=e−Eϕ(x′)PB(τ′∣x′)PF(τ).e^{-E_\phi(x)}P_B(\tau\mid x)P_F(\tau')=e^{-E_\phi(x')}P_B(\tau'\mid x')P_F(\tau).

    Consequently, the Metropolis–Hastings acceptance probability for the GFlowNet back-and-forth proposal is exactly 11. The proposal therefore performs a rejection-free block update when the GFlowNet is perfectly trained. For K=DK=D, the shared partial state is the initial state s0s_0, so the proposed terminal state is sampled directly from the GFlowNet forward policy and is independent of the starting terminal state. This is the paper's large-block Gibbs-sampling interpretation: unlike single-coordinate Gibbs updates, the learned proposal can change many coordinates and can jump between separated modes.

  7. Knowl 7 — Uniform backward policy gives the maximum-entropy flow

    theoretical result

    For a Markovian flow FF on the partial-assignment DAG, define its forward-policy entropy as the expected sum of conditional entropies encountered along a complete trajectory:

    H[F]=Eτ∼PF[∑t=0n−1H[PF(⋅∣st)]],H[F]=\mathbb{E}_{\tau\sim P_F}\left[\sum_{t=0}^{n-1}H\big[P_F(\cdot\mid s_t)\big]\right],

    where H[q]=−∑aq(a)log⁡q(a)H[q]=-\sum_a q(a)\log q(a) for a discrete distribution qq. Fix any nonnegative terminal reward RR and consider all Markovian flows whose terminal flow equals R(x)R(x) for every terminal state xx. The flow induced by choosing the backward policy uniformly over the parents of every state has maximal H[F]H[F] among all such flows.

    Thus, when several forward policies can realize the same terminal reward distribution, the canonical uniform-erasure backward policy selects the maximum-entropy solution. The result applies to the paper's DD-coordinate partial-assignment graph, where every trajectory passes through one state at each number of assigned coordinates.

  8. Knowl 8 — Ising-model recovery and multimodal sampling

    data/table

    The paper tests EB-GFN on binary Ising models with spins x∈{−1,+1}Dx\in\{-1,+1\}^{D} and energy

    EJ(x)=−x⊤Jx,E_J(x)=-x^\top Jx,

    where J=σANJ=\sigma A_N, ANA_N is the adjacency matrix of an N×NN\times N toroidal grid, and D=N2D=N^2. The model is trained only from 2000 samples and must recover a symmetric learned matrix JϕJ_\phi. The metric is mean negative log-RMSE between JJ and JϕJ_\phi; higher is better, and the reported standard deviation across runs is below 0.10.1.

    Method and dimension =0.1 0.2 0.3 0.4 0.5 -0.1 -0.2
    Gibbs, D=10^2 4.8 4.7 3.4 2.6 2.3 4.8 4.7
    GWG, D=10^2 4.8 4.7 3.4 2.6 2.3 4.8 4.7
    EB-GFN, D=10^2 6.1 5.1 3.3 2.6 2.3 5.7 5.1
    Gibbs, D=9^2 – – – – – 4.8 4.7
    GWG, D=9^2 – – – – – 4.8 4.7
    EB-GFN, D=9^2 – – – – – 5.7 5.1

    For positive σ\sigma, the learned samples show contiguous same-spin regions; for negative σ\sigma, they show checkerboard-like modes. The visualizations on page 6 show that EB-GFN nearly reconstructs the full interaction graph despite receiving no grid-structure information. Its clearest advantage occurs for the negative-σ\sigma multimodal cases, where local Gibbs-style methods must move between separated checkerboard modes.

  9. Knowl 9 — Synthetic discrete-density modeling results

    data/table

    The synthetic benchmark converts seven planar distributions—2spirals, 8gaussians, circles, moons, pinwheel, swissroll, and checkerboard—into 32-bit binary vectors. Each planar coordinate is quantized into 2162^{16} buckets and represented by a 16-bit Gray code, so neighboring planar buckets differ by one bit. EB-GFN uses α=0.5\alpha=0.5 and increases the back-and-forth horizon KK linearly from 11 to D=32D=32. It is compared with PCD, ALOE, and the much larger ALOE+ model. Lower NLL and MMD are better; MMD values are in units of 1×10−41\times10^{-4}.

    NLL 2spirals 8gaussians circles moons pinwheel swissroll checkerboard
    PCD 20.094 19.991 20.565 19.763 19.593 20.172 21.214
    ALOE 20.295 20.350 20.565 19.287 19.821 20.160 54.653
    ALOE+ 20.062 19.984 20.570 19.743 19.576 20.170 21.142
    EB-GFN 20.050 19.982 20.546 19.732 19.554 20.146 20.696
    MMD 2spirals 8gaussians circles moons pinwheel swissroll checkerboard
    PCD 2.160 0.954 0.188 0.962 0.505 1.382 2.831
    ALOE 21.926 107.320 0.497 26.894 39.091 0.471 61.562
    ALOE+ 0.149 0.078 0.636 0.516 1.746 0.718 12.138
    EB-GFN 0.583 0.531 0.305 0.121 0.492 0.274 1.206

    EB-GFN has the lowest reported NLL on all seven distributions. Its MMD is particularly strong on moons, pinwheel, swissroll, and checkerboard; ALOE+ is better on 2spirals and 8gaussians, while PCD has a lower raw MMD value on circles. The page-7 visualizations show that EB-GFN recovers multimodal energy landscapes and generated samples, especially for checkerboard and 8gaussians, without the roughly thirty-times-larger parametrization used by ALOE+.

  10. Knowl 10 — Discrete image modeling performance

    data/table

    The image experiments train multilayer-perceptron energy models on four binary image datasets using PCD-100-style training with replay buffers, comparing Gibbs, Gibbs-With-Gradients (GWG), and EB-GFN. EB-GFN uses a three-hidden-layer, 512-unit GFlowNet, a three-hidden-layer, 256-unit energy MLP, an equal mixture of forward and data-conditioned backward trajectories, and a horizon KK increased linearly from 11 to the image dimension. The reported metric is test negative log-likelihood per sample, so lower is better.

    Dataset Gibbs GWG EB-GFN
    Omniglot 133.92 114.96 112.59
    Silhouettes 475.55 188.82 185.57
    Static MNIST 173.61 99.36 102.43
    Dynamic MNIST 162.25 108.29 105.75

    EB-GFN improves on GWG for Omniglot, Silhouettes, and Dynamic MNIST, but not Static MNIST. The page-8 Dynamic MNIST visualizations show that EB-GFN captures some mode details more faithfully than the baselines. Adding LayerNorm to every forward-policy linear layer except the last further reduces EB-GFN NLL from 112.59112.59 to 104.88104.88 on Omniglot, from 185.57185.57 to 174.48174.48 on Silhouettes, from 102.43102.43 to 89.4889.48 on Static MNIST, and from 105.75105.75 to 88.7688.76 on Dynamic MNIST.

Coverage note — The importance-sampling estimator for evaluating GFlowNet likelihoods and the detailed backward-policy visualizations were omitted because they are auxiliary evaluation and diagnostic material; the core proposal, theory, training procedure, and benchmark results are included.

References

  1. 1.Arbel, M., Zhou, L., and Gretton, A. Generalized energy based models. International Conference on Learning Representations (ICLR), 2021.
  2. 2.Ba, J., Kiros, J. R., and Hinton, G. E. Layer normalization. ArXiv, abs/1607.06450, 2016.
  3. 3.Bengio, E., Pineau, J., and Precup, D. Interference and generalization in temporal difference learning. International Conference on Machine Learning (ICML), 2020.
  4. 4.Bengio, E., Jain, M., Korablyov, M., Precup, D., and Bengio, Y. Flow network based generative models for non-iterative diverse candidate generation. Neural Information Processing Systems (NeurIPS), 2021a.
  5. 5.Bengio, Y., Mesnil, G., Dauphin, Y., and Rifai, S. Better mixing via deep representations. International Conference on Machine Learning (ICML), 2013.
  6. 6.Bengio, Y., Deleu, T., Hu, E., Lahlou, S., Tiwari, M., and Bengio, E. GFlowNet foundations. arXiv preprint 2111.09266, 2021b.
  7. 7.Besold, T. R., d’Avila Garcez, A. S., Bader, S., Bowman, H., Domingos, P. M., Hitzler, P., Kuhnberger, K.-U., Lamb, L., Lowd, D., Lima, P. M. V., de Penning, L., Pinkas, G., Poon, H., and Zaverucha, G. Neural-symbolic learning and reasoning: A survey and interpretation. arXiv preprint 1711.03902, 2017.
  8. 8.Clevert, D.-A., Unterthiner, T., and Hochreiter, S. Fast and accurate deep network learning by exponential linear units (ELUs). International Conference on Learning Representations (ICLR), 2016.
  9. 9.Dai, B., Liu, Z., Dai, H., He, N., Gretton, A., Song, L., and Schuurmans, D. Exponential family estimation via adversarial dynamics embedding. Neural Information Processing Systems (NeurIPS), 2019.
  10. 10.Dai, H., Singh, R., Dai, B., Sutton, C., and Schuurmans, D. Learning discrete energy-based models via auxiliary-variable local exploration. Neural Information Processing Systems (NeurIPS), 2020.
  11. 11.Desjardins, G., Courville, A. C., Bengio, Y., Vincent, P., and Delalleau, O. Tempered Markov chain Monte Carlo for training of restricted Boltzmann machines. Artificial Intelligence and Statistics (AISTATS), 2010.
  12. 12.Du, Y. and Mordatch, I. Implicit generation and generalization in energy-based models. Neural Information Processing Systems (NeurIPS), 2019.
  13. 13.Du, Y., Li, S., Tenenbaum, J. B., and Mordatch, I. Improved contrastive divergence training of energy based models. International Conference on Machine Learning (ICML), 2021.
  14. 14.Emelianenko, D., Voita, E., and Serdyukov, P. Sequence modeling with unconstrained generation order. Neural Information Processing Systems (NeurIPS), 2019.
  15. 15.Ford, L. R. and Fulkerson, D. R. Maximal flow through a network. Canadian Journal of Mathematics, 8:243–248, 1956.
  16. 16.Gao, R., Song, Y., Poole, B., Wu, Y. N., and Kingma, D. P. Learning energy-based models by diffusion recovery likelihood. International Conference on Learning Representations (ICLR), 2021.
  17. 17.Germain, M., Gregor, K., Murray, I., and Larochelle, H. MADE: Masked autoencoder for distribution estimation. International Conference on Machine Learning (ICML), 2015.
  18. 18.Grathwohl, W., Chen, R. T. Q., Bettencourt, J., Sutskever, I., and Duvenaud, D. K. Ffjord: Free-form continuous dynamics for scalable reversible generative models. International Conference on Learning Representations (ICLR), 2019.
  19. 19.Grathwohl, W., Kelly, J., Hashemi, M., Norouzi, M., Swersky, K., and Duvenaud, D. K. No MCMC for me: Amortized sampling for fast and stable training of energy-based models. International Conference on Learning Representations (ICLR), 2021a.
  20. 20.Grathwohl, W., Swersky, K., Hashemi, M., Duvenaud, D. K., and Maddison, C. J. Oops I took a gradient: Scalable sampling for discrete distributions. International Conference on Machine Learning (ICML), 2021b.
  21. 21.Graves, A. Generating sequences with recurrent neural networks. arXiv preprint 1308.0850, 2013.
  22. 22.Gray, F. Pulse code communication. US Patent 2,632,058, 1953.
  23. 23.Gretton, A., Borgwardt, K. M., Rasch, M. J., Scholkopf, B., and Smola, A. A kernel two-sample test. J. Mach. Learn. Res., 13:723–773, 2012.
  24. 24.Haarnoja, T., Tang, H., Abbeel, P., and Levine, S. Reinforcement learning with deep energy-based policies. International Conference on Machine Learning (ICML), 2017.
  25. 25.Han, J., Ding, F., Liu, X., Torresani, L., Peng, J., and Liu, Q. Stein variational inference for discrete distributions. Artificial Intelligence and Statistics (AISTATS), 2020.
  26. 26.Hastings, W. K. Monte Carlo sampling methods using Markov chains and their applications. Biometrika, 57(1):97–109, 1970.
  27. 27.Hinton, G. E. Training products of experts by minimizing contrastive divergence. Neural Computation, 14:1771–1800, 2002.
  28. 28.Hinton, G. E., Osindero, S., and Teh, Y. W. A fast learning algorithm for deep belief nets. Neural Computation, 18:1527–1554, 2006.
  29. 29.Ising, E. Beitrag zur Theorie des Ferromagnetismus. Zeitschrift fur Physik, 31(1):253–258, 1925.
  30. 30.Jain, M., Bengio, E., Garc´ıa, A., Rector-Brooks, J., Dossou, B. F. P., Ekbote, C. A., Fu, J., Zhang, T., Kilgour, M., Zhang, D., Simine, L., Das, P., and Bengio, Y. Biological sequence design with gflownets. ArXiv, abs/2203.04115, 2022.
  31. 31.LeCun, Y., Chopra, S., Hadsell, R., Ranzato, A., and Huang, F. J. A tutorial on energy-based learning. 2006.
  32. 32.Li, X., Trabucco, B., Park, D., Luo, M., Shen, S. M., Darrell, T., and Gao, Y. Discovering non-monotonic autoregressive orderings with variational inference. International Conference on Learning Representations (ICLR), 2021.
  33. 33.Ma, Y., Ma, Y.-A., Chen, T., and Fox, E. B. A complete recipe for stochastic gradient MCMC. Neural Information Processing Systems (NIPS), 2015.
  34. 34.MacKay, D. J. C. Information Theory, Inference, and Learning Algorithms. Cambridge University Press, 2003.
  35. 35.Malkin, N., Jain, M., Bengio, E., Sun, C., and Bengio, Y. Trajectory balance: Improved credit assignment in GFlowNets. arXiv preprint 2201.13259, 2022.
  36. 36.Meng, C., Song, J., Song, Y., Zhao, S., and Ermon, S. Improved autoregressive modeling with distribution smoothing. International Conference on Learning Representations (ICLR), 2021.
  37. 37.Nijkamp, E., Hill, M., Zhu, S.-C., and Wu, Y. N. Learning non-convergent non-persistent short-run mcmc toward energy-based model. Neural Information Processing Systems (NeurIPS), 2019.
  38. 38.Nijkamp, E., Hill, M., Han, T., Zhu, S.-C., and Wu, Y. N. On the anatomy of MCMC-based maximum likelihood learning of energy-based models. Association for the Advancement of Artificial Intelligence (AAAI), 2020.
  39. 39.Salakhutdinov, R. Learning in Markov random fields using tempered transitions. Neural Information Processing Systems (NIPS), 2009.
  40. 40.Salakhutdinov, R. and Hinton, G. E. Deep Boltzmann machines. Artificial Intelligence and Statistics (AISTATS), 2009.
  41. 41.Song, Y. and Kingma, D. P. How to train your energy-based models. arXiv preprint 2101.03288, 2021.
  42. 42.Sutskever, I., Martens, J., and Hinton, G. E. Generating text with recurrent neural networks. International Conference on Machine Learning (ICML), 2011.
  43. 43.Sutton, R. S. Learning to predict by the methods of temporal differences. Machine Learning, 3:9–44, 2005.
  44. 44.Sutton, R. S. and Barto, A. G. Reinforcement learning: An introduction. IEEE Transactions on Neural Networks, 16:285–286, 2005.
  45. 45.Tai, K. S., Socher, R., and Manning, C. D. Improved semantic representations from tree-structured long short-term memory networks. Association for Computational Linguistics (ACL), 2015.
  46. 46.Tieleman, T. Training restricted Boltzmann machines using approximations to the likelihood gradient. International Conference on Machine Learning (ICML), 2008.
  47. 47.Tieleman, T. and Hinton, G. E. Using fast weights to improve persistent contrastive divergence. International Conference on Machine Learning (ICML), 2009.
  48. 48.Titsias, M. K. and Yau, C. The hamming ball sampler. Journal of the American Statistical Association, 112:1598 – 1611, 2017.
  49. 49.Uria, B., Cotˆ e, M.-A., Gregor, K., Murray, I., and Larochelle, H. Neural autoregressive distribution estimation. Journal of Machine Learning Research, 17:205:1–205:37, 2016.
  50. 50.van den Oord, A., Kalchbrenner, N., Espeholt, L., Kavukcuoglu, K., Vinyals, O., and Graves, A. Conditional image generation with pixelcnn decoders. Neural Information Processing Systems (NIPS), 2016a.
  51. 51.van den Oord, A., Kalchbrenner, N., and Kavukcuoglu, K. Pixel recurrent neural networks. International Conference on Machine Learning (ICML), 2016b.
  52. 52.Wang, J.-S. and Swendsen, R. H. Cluster Monte Carlo algorithms. Physica A: Statistical Mechanics and its Applications, 167(3):565–579, 1990.
  53. 53.Welling, M. and Teh, Y. W. Bayesian learning via stochastic gradient Langevin dynamics. International Conference on Machine Learning (ICML), 2011.
  54. 54.Xie, J., Lu, Y., Zhu, S.-C., and Wu, Y. N. A theory of generative convnet. ArXiv, abs/1602.03264, 2016.
  55. 55.Yu, L., Song, Y., Song, J., and Ermon, S. Training deep energy-based models with f-divergence minimization. International Conference on Machine Learning (ICML), 2020.
  56. 56.Zanella, G. Informed proposals for local mcmc in discrete spaces. Journal of the American Statistical Association, 115:852 – 865, 2019.
  57. 57.Zhang, R., Liu, X., and Liu, Q. A langevin-like sampler for discrete distributions. In International Conference on Machine Learning. PMLR, 2022.

Citation

MLA
Zhang, D., et al. “Generative Flow Networks for Discrete Probabilistic Modeling”. International Conference on Machine Learning, vol. 162, 2022, pp. 26412–28, https://proceedings.mlr.press/v162/zhang22v.html.
APA
Zhang, D., Malkin, N., Liu, Z., Volokhova, A., Courville, A., & Bengio, Y. (2022). Generative Flow Networks for Discrete Probabilistic Modeling. International Conference on Machine Learning, 162, 26412–26428. https://proceedings.mlr.press/v162/zhang22v.html
Chicago
Zhang, D., N. Malkin, Z. Liu, A. Volokhova, A. Courville, and Y. Bengio. 2022. “Generative Flow Networks for Discrete Probabilistic Modeling”. International Conference on Machine Learning 162: 26412–28. https://proceedings.mlr.press/v162/zhang22v.html.
Harvard
Zhang, D. et al. (2022) “Generative Flow Networks for Discrete Probabilistic Modeling”, International Conference on Machine Learning. PMLR, pp. 26412–26428. Available at: https://proceedings.mlr.press/v162/zhang22v.html.
Vancouver
1. Zhang D, Malkin N, Liu Z, Volokhova A, Courville A, Bengio Y (2022) Generative Flow Networks for Discrete Probabilistic Modeling. In: International Conference on Machine Learning. PMLR, pp 26412–26428

BibTeX

@InProceedings{pmlr-v162-zhang22v,
  title = 	 {Generative Flow Networks for Discrete Probabilistic Modeling},
  author =       {Zhang, Dinghuai and Malkin, Nikolay and Liu, Zhen and Volokhova, Alexandra and Courville, Aaron and Bengio, Yoshua},
  booktitle = 	 {Proceedings of the 39th International Conference on Machine Learning},
  pages = 	 {26412--26428},
  year = 	 {2022},
  editor = 	 {Chaudhuri, Kamalika and Jegelka, Stefanie and Song, Le and Szepesvari, Csaba and Niu, Gang and Sabato, Sivan},
  volume = 	 {162},
  series = 	 {Proceedings of Machine Learning Research},
  month = 	 {17--23 Jul},
  publisher =    {PMLR},
  pdf = 	 {https://proceedings.mlr.press/v162/zhang22v/zhang22v.pdf},
  url = 	 {https://proceedings.mlr.press/v162/zhang22v.html},
  abstract = 	 {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 stochastic data construction policy and thus amortize expensive MCMC exploration into a fixed number of actions sampled from a GFlowNet. We show how GFlowNets can approximately perform large-block Gibbs sampling to mix between modes. We propose a framework to jointly train a GFlowNet with an energy function, so that the GFlowNet learns to sample from the energy distribution, while the energy learns with an approximate MLE objective with negative samples from the GFlowNet. We demonstrate EB-GFN’s effectiveness on various probabilistic modeling tasks. Code is publicly available at https://github.com/zdhNarsil/EB_GFN.}
}
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