Flow Matching Guide and Code

Flow Matching (FM) is a recent framework for generative modeling that has achieved state-of-the-art performance across various domains, including image, video, audio, speech, and biological structures. This guide offers a comprehensive and self-contained review of FM, covering its mathematical foundations, design choices, and extensions. By also providing a PyTorch package featuring relevant examples (e.g., image and text generation), this work aims to serve as a resource for both novice and experienced researchers interested in understanding, applying and further developing FM.

Flow Matching with General Discrete Paths: A Kinetic-Optimal Perspective

The design space of discrete-space diffusion or flow generative models are significantly less well-understood than their continuous-space counterparts, with many works focusing only on a simple masked construction. In this work, we aim to take a holistic approach to the construction of discrete generative models based on continuous-time Markov chains, and for the first time, allow the use of arbitrary discrete probability paths, or colloquially, corruption processes. Through the lens of optimizing the symmetric kinetic energy, we propose velocity formulas that can be applied to any given probability path, completely decoupling the probability and velocity, and giving the user the freedom to specify any desirable probability path based on expert knowledge specific to the data domain. Furthermore, we find that a special construction of mixture probability paths optimizes the symmetric kinetic energy for the discrete case. We empirically validate the usefulness of this new design space across multiple modalities: text generation, inorganic material generation, and image generation. We find that we can outperform the mask construction even in text with kinetic-optimal mixture paths, while we can make use of domain-specific constructions of the probability path over the visual domain.

Generator Matching: Generative modeling with arbitrary Markov processes

We introduce generator matching, a modality-agnostic framework for generative modeling using arbitrary Markov processes. Generators characterize the infinitesimal evolution of a Markov process, which we leverage for generative modeling in a similar vein to flow matching: we construct conditional generators which generate single data points, then learn to approximate the marginal generator which generates the full data distribution. We show that generator matching unifies various generative modeling methods, including diffusion models, flow matching and discrete diffusion models. Furthermore, it provides the foundation to expand the design space to new and unexplored Markov processes such as jump processes. Finally, generator matching enables the construction of superpositions of Markov generative processes and enables the construction of multimodal models in a rigorous manner. We empirically validate our method on protein and image structure generation, showing that superposition with a jump process improves image generation.

Discrete Flow Matching

Despite Flow Matching and diffusion models having emerged as powerful generative paradigms for continuous variables such as images and videos, their application to high-dimensional discrete data, such as language, is still limited. In this work, we present Discrete Flow Matching, a novel discrete flow paradigm designed specifically for generating discrete data. Discrete Flow Matching offers several key contributions: (i) it works with a general family of probability paths interpolating between source and target distributions; (ii) it allows for a generic formula for sampling from these probability paths using learned posteriors such as the probability denoiser ($x$-prediction) and noise-prediction ($\epsilon$-prediction); (iii) practically, focusing on specific probability paths defined with different schedulers considerably improves generative perplexity compared to previous discrete diffusion and flow models; and (iv) by scaling Discrete Flow Matching models up to 1.7B parameters, we reach 6.7% Pass@1 and 13.4% Pass@10 on HumanEval and 6.7% Pass@1 and 20.6% Pass@10 on 1-shot MBPP coding benchmarks. Our approach is capable of generating high-quality discrete data in a non-autoregressive fashion, significantly closing the gap between autoregressive models and discrete flow models.

Bespoke Non-Stationary Solvers for Fast Sampling of Diffusion and Flow Models

This paper introduces Bespoke Non-Stationary (BNS) Solvers, a solver distillation approach to improve sample efficiency of Diffusion and Flow models. BNS solvers are based on a family of non-stationary solvers that provably subsumes existing numerical ODE solvers and consequently demonstrate considerable improvement in sample approximation (PSNR) over these baselines. Compared to model distillation, BNS solvers benefit from a tiny parameter space ($<$200 parameters), fast optimization (two orders of magnitude faster), maintain diversity of samples, and in contrast to previous solver distillation approaches nearly close the gap from standard distillation methods such as Progressive Distillation in the low-medium NFE regime. For example, BNS solver achieves 45 PSNR / 1.76 FID using 16 NFE in class-conditional ImageNet-64. We experimented with BNS solvers for conditional image generation, text-to-image generation, and text-2-audio generation showing significant improvement in sample approximation (PSNR) in all.

D-Flow: Differentiating through Flows for Controlled Generation

Taming the generation outcome of state of the art Diffusion and Flow-Matching (FM) models without having to re-train a task-specific model unlocks a powerful tool for solving inverse problems, conditional generation, and controlled generation in general. In this work we introduce D-Flow, a simple framework for controlling the generation process by differentiating through the flow, optimizing for the source (noise) point. We motivate this framework by our key observation stating that for Diffusion/FM models trained with Gaussian probability paths, differentiating through the generation process projects gradient on the data manifold, implicitly injecting the prior into the optimization process. We validate our framework on linear and non-linear controlled generation problems including: image and audio inverse problems and conditional molecule generation reaching state of the art performance across all.

Mosaic-SDF for 3D Generative Models

Current diffusion or flow-based generative models for 3D shapes divide to two: distilling pre-trained 2D image diffusion models, and training directly on 3D shapes. When training a diffusion or flow models on 3D shapes a crucial design choice is the shape representation. An effective shape representation needs to adhere three design principles: it should allow an efficient conversion of large 3D datasets to the representation form; it should provide a good tradeoff of approximation power versus number of parameters; and it should have a simple tensorial form that is compatible with existing powerful neural architectures. While standard 3D shape representations such as volumetric grids and point clouds do not adhere to all these principles simultaneously, we advocate in this paper a new representation that does. We introduce Mosaic-SDF (M-SDF): a simple 3D shape representation that approximates the Signed Distance Function (SDF) of a given shape by using a set of local grids spread near the shape's boundary. The M-SDF representation is fast to compute for each shape individually making it readily parallelizable; it is parameter efficient as it only covers the space around the shape's boundary; and it has a simple matrix form, compatible with Transformer-based architectures. We demonstrate the efficacy of the M-SDF representation by using it to train a 3D generative flow model including class-conditioned generation with the 3D Warehouse dataset, and text-to-3D generation using a dataset of about 600k caption-shape pairs.

Guided Flows for Generative Modeling and Decision Making

Classifier-free guidance is a key component for enhancing the performance of conditional generative models across diverse tasks. While it has previously demonstrated remarkable improvements for the sample quality, it has only been exclusively employed for diffusion models. In this paper, we integrate classifier-free guidance into Flow Matching (FM) models, an alternative simulation-free approach that trains Continuous Normalizing Flows (CNFs) based on regressing vector fields. We explore the usage of \emph{Guided Flows} for a variety of downstream applications. We show that Guided Flows significantly improves the sample quality in conditional image generation and zero-shot text-to-speech synthesis, boasting state-of-the-art performance. Notably, we are the first to apply flow models for plan generation in the offline reinforcement learning setting, showcasing a 10x speedup in computation compared to diffusion models while maintaining comparable performance.

Bespoke Solvers for Generative Flow Models

Diffusion or flow-based models are powerful generative paradigms that are notoriously hard to sample as samples are defined as solutions to high-dimensional Ordinary or Stochastic Differential Equations (ODEs/SDEs) which require a large Number of Function Evaluations (NFE) to approximate well. Existing methods to alleviate the costly sampling process include model distillation and designing dedicated ODE solvers. However, distillation is costly to train and sometimes can deteriorate quality, while dedicated solvers still require relatively large NFE to produce high quality samples. In this paper we introduce "Bespoke solvers", a novel framework for constructing custom ODE solvers tailored to the ODE of a given pre-trained flow model. Our approach optimizes an order consistent and parameter-efficient solver (e.g., with 80 learnable parameters), is trained for roughly 1% of the GPU time required for training the pre-trained model, and significantly improves approximation and generation quality compared to dedicated solvers. For example, a Bespoke solver for a CIFAR10 model produces samples with Fr\'echet Inception Distance (FID) of 2.73 with 10 NFE, and gets to 1% of the Ground Truth (GT) FID (2.59) for this model with only 20 NFE. On the more challenging ImageNet-64$\times$64, Bespoke samples at 2.2 FID with 10 NFE, and gets within 2% of GT FID (1.71) with 20 NFE.

Generalized Schrödinger Bridge Matching

Modern distribution matching algorithms for training diffusion or flow models directly prescribe the time evolution of the marginal distributions between two boundary distributions. In this work, we consider a generalized distribution matching setup, where these marginals are only implicitly described as a solution to some task-specific objective function. The problem setup, known as the Generalized Schr\"odinger Bridge (GSB), appears prevalently in many scientific areas both within and without machine learning. We propose Generalized Schr\"odinger Bridge Matching (GSBM), a new matching algorithm inspired by recent advances, generalizing them beyond kinetic energy minimization and to account for task-specific state costs. We show that such a generalization can be cast as solving conditional stochastic optimal control, for which efficient variational approximations can be used, and further debiased with the aid of path integral theory. Compared to prior methods for solving GSB problems, our GSBM algorithm always preserves a feasible transport map between the boundary distributions throughout training, thereby enabling stable convergence and significantly improved scalability. We empirically validate our claims on an extensive suite of experimental setups, including crowd navigation, opinion depolarization, LiDAR manifolds, and image domain transfer. Our work brings new algorithmic opportunities for training diffusion models enhanced with task-specific optimality structures.