Multisample Flow Matching: Straightening Flows with Minibatch Couplings

Aram-Alexandre PooladianHeli Ben-HamuCarles Domingo-EnrichBrandon AmosYaron LipmanRicky T. Q. Chen

article2023ICML234 citations

Proposes Multisample Flow Matching, a simulation-free training framework that couples minibatch data and noise distributions to straighten probability paths, reducing gradient variance during training and enabling faster generative sampling with fewer model evaluations.

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Continuous-time generative models, such as continuous normalizing flows and diffusion models, generate high-quality data by transforming random noise into realistic samples. However, standard methods pair noise and data independently during training. This independent sampling creates curved, tangled transformation paths, inflates gradient variance during optimization, and requires computationally expensive numerical simulations to generate individual samples.

The article introduces Multisample Flow Matching, a generalized simulation-free training framework designed to construct straighter, more efficient probability paths. The core objective is to evaluate whether coupling mini-batches of noise and data samples using optimal transport principles can accelerate training, reduce sample generation cost, and preserve the underlying data distributions.

The authors evaluated the framework across synthetic benchmarks and standard high-dimensional image datasets, including downsampled 32x32 and 64x64 ImageNet. The approach pairs batches of noise and data using techniques such as Batch Optimal Transport, Batch Entropic Optimal Transport, and faster ranking-based stable couplings. By formulating the training objective over joint distributions, the framework avoids costly adversarial min-max optimization and simulation during training while mathematically ensuring the target data distribution is preserved exactly.

The findings show substantial operational improvements over standard Flow Matching and diffusion models. In image generation benchmarks, the proposed batch couplings reduced the required sampling compute by 30% to 60% while achieving equivalent image quality, adding only a 0.8% to 4% computational overhead to training time. Batch-coupled models also exhibited significantly lower gradient variance, leading to faster training convergence. Furthermore, in high-dimensional synthetic transport problems with unknown cost functions, the method outperformed static mappings by correctly matching the true target distributions with low transport costs.

These performance gains allow machine learning deployments to significantly cut inference latency and computational expenses in production without degrading sample fidelity. Additionally, the approach provides a viable, computationally efficient tool for high-dimensional optimal transport problems in biological data modeling and computer vision. Because ranking-based stable couplings matched the performance of full optimal transport solvers at lower computational complexity, organizations can deploy this framework using lightweight pairing algorithms.

Organizations training continuous generative models should adopt mini-batch coupling strategies to reduce production inference costs and training times. Future research should evaluate scaling these couplings to full-resolution images, test their behavior across broader multi-modal applications, and explore optimal coupling methods when pairing across distributed multi-GPU environments.

arXiv: 2304.14772
Cover for Multisample Flow Matching: Straightening Flows with Minibatch Couplings

Abstract

Simulation-free methods for training continuous-time generative models construct probability paths that go between noise distributions and individual data samples. Recent works, such as Flow Matching, derived paths that are optimal for each data sample. However, these algorithms rely on independent data and noise samples, and do not exploit underlying structure in the data distribution for constructing probability paths. We propose Multisample Flow Matching, a more general framework that uses non-trivial couplings between data and noise samples while satisfying the correct marginal constraints. At very small overhead costs, this generalization allows us to (i) reduce gradient variance during training, (ii) obtain straighter flows for the learned vector field, which allows us to generate high-quality samples using fewer function evaluations, and (iii) obtain transport maps with lower cost in high dimensions, which has applications beyond generative modeling. Importantly, we do so in a completely simulation-free manner with a simple minimization objective. We show that our proposed methods improve sample consistency on downsampled ImageNet data sets, and lead to better low-cost sample generation.

Table of Contents

  • 1 Introduction
  • 2 Preliminaries
  • 2.1 Continuous Normalizing Flow
  • 2.2 Flow Matching
  • 2.2.1 Conditional OT (CondOT) path
  • 2.3 Optimal Transport: Static & Dynamic
  • 3 Flow Matching with Joint Distributions
  • 4 Multisample Flow Matching
  • 4.1 CondOT is Uniform Coupling
  • 4.2 Batch Optimal Transport (BatchOT) Couplings
  • 4.3 Batch Entropic OT (BatchEOT) Couplings
  • 4.4 Stable and Heuristic Couplings
  • 5 Related Work
  • 5.1 Minibatch Couplings for Generative Modeling
  • 6 Experiments
  • 6.1 Insights from 2D experiments
  • 6.2 Image Datasets
  • 6.3 Improved Batch Optimal Couplings
  • 7 Conclusion
  • References
  • A Coupling algorithms
  • A.1 Stable couplings
  • A.2 Heuristic couplings
  • B Additional tables and figures
  • B.1 Full results on ImageNet data
  • B.2 How batch size affects the marginal probability paths on 2D checkerboard data
  • B.3 FID vs NFE using midpoint discretization scheme
  • B.4 Comparison of FID vs NFE for baseline methods DDPM and ScoreSDE
  • B.5 Runtime per iteration is not significantly affected by solving for couplings
  • B.6 Convergence improves when using larger coupling sizes
  • C Generated samples
  • D Theorems and proofs
  • D.1 Proof of Lemma
  • D.2 Proof of Lemma
  • D.3 Proof of Lemma
  • D.4 Proof of Theorem
  • D.4.1 Convergence of the optimal value of the CFM objective
  • D.4.2 Convergence of the straightness and the transport cost
  • D.4.3 Proof of Proposition
  • D.5 Bounds on the transport cost and monotone convergence results
  • E Experimental & evaluation details
  • E.1 Image datasets
  • E.2 Improved batch optimal couplings

Citation

MLA
Pooladian, A.-A., et al. “Multisample Flow Matching: Straightening Flows with Minibatch Couplings”. arXiv, 2023, http://arxiv.org/abs/2304.14772v2.
APA
Pooladian, A.-A., Ben-Hamu, H., Domingo-Enrich, C., Amos, B., Lipman, Y., & Chen, R. T. Q. (2023). Multisample Flow Matching: Straightening Flows with Minibatch Couplings. arXiv. http://arxiv.org/abs/2304.14772v2
Chicago
Pooladian, A.-A., H. Ben-Hamu, C. Domingo-Enrich, B. Amos, Y. Lipman, and R. T. Q. Chen. 2023. “Multisample Flow Matching: Straightening Flows with Minibatch Couplings”. arXiv. http://arxiv.org/abs/2304.14772v2.
Harvard
Pooladian, A.-A. et al. (2023) “Multisample Flow Matching: Straightening Flows with Minibatch Couplings”, arXiv [Preprint]. Available at: http://arxiv.org/abs/2304.14772v2.
Vancouver
1. Pooladian A-A, Ben-Hamu H, Domingo-Enrich C, Amos B, Lipman Y, Chen RTQ (2023) Multisample Flow Matching: Straightening Flows with Minibatch Couplings. arXiv

BibTeX

@article{pooladian2023multisample,
  title = {Multisample Flow Matching: Straightening Flows with Minibatch Couplings},
  author = {Pooladian, Aram-Alexandre and Ben-Hamu, Heli and Domingo-Enrich, Carles and Amos, Brandon and Lipman, Yaron and Chen, Ricky T. Q.},
  year = {2023},
  journal = {arXiv},
  url = {http://arxiv.org/abs/2304.14772v2},
  eprint = {2304.14772}
}
Metadata:arXiv

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