Daily Papers

Invertible neural networks based on coupling flows (CF-INNs) have various machine learning applications such as image synthesis and representation learning. However, their desirable characteristics such as analytic invertibility come at the cost of restricting the functional forms. This poses a question on their representation power: are CF-INNs universal approximators for invertible functions? Without a universality, there could be a well-behaved invertible transformation that the CF-INN can never approximate, hence it would render the model class unreliable. We answer this question by showing a convenient criterion: a CF-INN is universal if its layers contain affine coupling and invertible linear functions as special cases. As its corollary, we can affirmatively resolve a previously unsolved problem: whether normalizing flow models based on affine coupling can be universal distributional approximators. In the course of proving the universality, we prove a general theorem to show the equivalence of the universality for certain diffeomorphism classes, a theoretical insight that is of interest by itself.

In the past, normalizing generative flows have emerged as a promising class of generative models for natural images. This type of model has many modeling advantages: the ability to efficiently compute log-likelihood of the input data, fast generation and simple overall structure. Normalizing flows remained a topic of active research but later fell out of favor, as visual quality of the samples was not competitive with other model classes, such as GANs, VQ-VAE-based approaches or diffusion models. In this paper we revisit the design of the coupling-based normalizing flow models by carefully ablating prior design choices and using computational blocks based on the Vision Transformer architecture, not convolutional neural networks. As a result, we achieve state-of-the-art quantitative and qualitative performance with a much simpler architecture. While the overall visual quality is still behind the current state-of-the-art models, we argue that strong normalizing flow models can help advancing research frontier by serving as building components of more powerful generative models.

Conditional normalizing flows can generate diverse image samples for solving inverse problems. Most normalizing flows for inverse problems in imaging employ the conditional affine coupling layer that can generate diverse images quickly. However, unintended severe artifacts are occasionally observed in the output of them. In this work, we address this critical issue by investigating the origins of these artifacts and proposing the conditions to avoid them. First of all, we empirically and theoretically reveal that these problems are caused by "exploding inverse" in the conditional affine coupling layer for certain out-of-distribution (OOD) conditional inputs. Then, we further validated that the probability of causing erroneous artifacts in pixels is highly correlated with a Mahalanobis distance-based OOD score for inverse problems in imaging. Lastly, based on our investigations, we propose a remark to avoid exploding inverse and then based on it, we suggest a simple remedy that substitutes the affine coupling layers with the modified rational quadratic spline coupling layers in normalizing flows, to encourage the robustness of generated image samples. Our experimental results demonstrated that our suggested methods effectively suppressed critical artifacts occurring in normalizing flows for super-resolution space generation and low-light image enhancement.

A normalizing flow models a complex probability density as an invertible transformation of a simple base density. Flows based on either coupling or autoregressive transforms both offer exact density evaluation and sampling, but rely on the parameterization of an easily invertible elementwise transformation, whose choice determines the flexibility of these models. Building upon recent work, we propose a fully-differentiable module based on monotonic rational-quadratic splines, which enhances the flexibility of both coupling and autoregressive transforms while retaining analytic invertibility. We demonstrate that neural spline flows improve density estimation, variational inference, and generative modeling of images.

Flow-based generative models parameterize probability distributions through an invertible transformation and can be trained by maximum likelihood. Invertible residual networks provide a flexible family of transformations where only Lipschitz conditions rather than strict architectural constraints are needed for enforcing invertibility. However, prior work trained invertible residual networks for density estimation by relying on biased log-density estimates whose bias increased with the network's expressiveness. We give a tractable unbiased estimate of the log density using a "Russian roulette" estimator, and reduce the memory required during training by using an alternative infinite series for the gradient. Furthermore, we improve invertible residual blocks by proposing the use of activation functions that avoid derivative saturation and generalizing the Lipschitz condition to induced mixed norms. The resulting approach, called Residual Flows, achieves state-of-the-art performance on density estimation amongst flow-based models, and outperforms networks that use coupling blocks at joint generative and discriminative modeling.

Despite recent advances in generative modeling for text-to-speech synthesis, these models do not yet have the same fine-grained adjustability of pitch-conditioned deterministic models such as FastPitch and FastSpeech2. Pitch information is not only low-dimensional, but also discontinuous, making it particularly difficult to model in a generative setting. Our work explores several techniques for handling the aforementioned issues in the context of Normalizing Flow models. We also find this problem to be very well suited for Neural Spline flows, which is a highly expressive alternative to the more common affine-coupling mechanism in Normalizing Flows.

We consider the scattering of acoustic perturbations in a presence of a flow. We suppose that the space can be split into a zone where the flow is uniform and a zone where the flow is potential. In the first zone, we apply a Prandtl-Glauert transformation to recover the Helmholtz equation. The well-known setting of boundary element method for the Helmholtz equation is available. In the second zone, the flow quantities are space dependent, we have to consider a local resolution, namely the finite element method. Herein, we carry out the coupling of these two methods and present various applications and validation test cases. The source term is given through the decomposition of an incident acoustic field on a section of the computational domain's boundary.

Flow matching has emerged as a compelling generative modeling approach that is widely used across domains. To generate data via a flow matching model, an ordinary differential equation (ODE) is numerically solved via forward integration of the modeled velocity field. To better capture the multi-modality that is inherent in typical velocity fields, hierarchical flow matching was recently introduced. It uses a hierarchy of ODEs that are numerically integrated when generating data. This hierarchy of ODEs captures the multi-modal velocity distribution just like vanilla flow matching is capable of modeling a multi-modal data distribution. While this hierarchy enables to model multi-modal velocity distributions, the complexity of the modeled distribution remains identical across levels of the hierarchy. In this paper, we study how to gradually adjust the complexity of the distributions across different levels of the hierarchy via mini-batch couplings. We show the benefits of mini-batch couplings in hierarchical rectified flow matching via compelling results on synthetic and imaging data. Code is available at https://riccizz.github.io/HRF_coupling.

Diffusion models have revolutionized text-to-image generation with its exceptional quality and creativity. However, its multi-step sampling process is known to be slow, often requiring tens of inference steps to obtain satisfactory results. Previous attempts to improve its sampling speed and reduce computational costs through distillation have been unsuccessful in achieving a functional one-step model. In this paper, we explore a recent method called Rectified Flow, which, thus far, has only been applied to small datasets. The core of Rectified Flow lies in its reflow procedure, which straightens the trajectories of probability flows, refines the coupling between noises and images, and facilitates the distillation process with student models. We propose a novel text-conditioned pipeline to turn Stable Diffusion (SD) into an ultra-fast one-step model, in which we find reflow plays a critical role in improving the assignment between noise and images. Leveraging our new pipeline, we create, to the best of our knowledge, the first one-step diffusion-based text-to-image generator with SD-level image quality, achieving an FID (Frechet Inception Distance) of 23.3 on MS COCO 2017-5k, surpassing the previous state-of-the-art technique, progressive distillation, by a significant margin (37.2 rightarrow 23.3 in FID). By utilizing an expanded network with 1.7B parameters, we further improve the FID to 22.4. We call our one-step models InstaFlow. On MS COCO 2014-30k, InstaFlow yields an FID of 13.1 in just 0.09 second, the best in leq 0.1 second regime, outperforming the recent StyleGAN-T (13.9 in 0.1 second). Notably, the training of InstaFlow only costs 199 A100 GPU days. Project page:~https://github.com/gnobitab/InstaFlow.

Flow-based generative models are powerful exact likelihood models with efficient sampling and inference. Despite their computational efficiency, flow-based models generally have much worse density modeling performance compared to state-of-the-art autoregressive models. In this paper, we investigate and improve upon three limiting design choices employed by flow-based models in prior work: the use of uniform noise for dequantization, the use of inexpressive affine flows, and the use of purely convolutional conditioning networks in coupling layers. Based on our findings, we propose Flow++, a new flow-based model that is now the state-of-the-art non-autoregressive model for unconditional density estimation on standard image benchmarks. Our work has begun to close the significant performance gap that has so far existed between autoregressive models and flow-based models. Our implementation is available at https://github.com/aravindsrinivas/flowpp

We present a flow-based approach to the optimal transport (OT) problem between two continuous distributions pi_0,pi_1 on R^d, of minimizing a transport cost E[c(X_1-X_0)] in the set of couplings (X_0,X_1) whose marginal distributions on X_0,X_1 equals pi_0,pi_1, respectively, where c is a cost function. Our method iteratively constructs a sequence of neural ordinary differentiable equations (ODE), each learned by solving a simple unconstrained regression problem, which monotonically reduce the transport cost while automatically preserving the marginal constraints. This yields a monotonic interior approach that traverses inside the set of valid couplings to decrease the transport cost, which distinguishes itself from most existing approaches that enforce the coupling constraints from the outside. The main idea of the method draws from rectified flow, a recent approach that simultaneously decreases the whole family of transport costs induced by convex functions c (and is hence multi-objective in nature), but is not tailored to minimize a specific transport cost. Our method is a single-object variant of rectified flow that guarantees to solve the OT problem for a fixed, user-specified convex cost function c.

Rectified flow and reflow procedures have significantly advanced fast generation by progressively straightening ordinary differential equation (ODE) flows. They operate under the assumption that image and noise pairs, known as couplings, can be approximated by straight trajectories with constant velocity. However, we observe that modeling with constant velocity and using reflow procedures have limitations in accurately learning straight trajectories between pairs, resulting in suboptimal performance in few-step generation. To address these limitations, we introduce Constant Acceleration Flow (CAF), a novel framework based on a simple constant acceleration equation. CAF introduces acceleration as an additional learnable variable, allowing for more expressive and accurate estimation of the ODE flow. Moreover, we propose two techniques to further improve estimation accuracy: initial velocity conditioning for the acceleration model and a reflow process for the initial velocity. Our comprehensive studies on toy datasets, CIFAR-10, and ImageNet 64x64 demonstrate that CAF outperforms state-of-the-art baselines for one-step generation. We also show that CAF dramatically improves few-step coupling preservation and inversion over Rectified flow. Code is available at https://github.com/mlvlab/CAF{https://github.com/mlvlab/CAF}.

We investigate the coupling effects of the two-phase interface, viscosity ratio, and density ratio of the dispersed phase to the continuous phase on the flow statistics in two-phase Taylor-Couette turbulence at a system Reynolds number of 6000 and a system Weber number of 10 using interface-resolved three-dimensional direct numerical simulations with the volume-of-fluid method. Our study focuses on four different scenarios: neutral droplets, low-viscosity droplets, light droplets, and low-viscosity light droplets. We find that neutral droplets and low-viscosity droplets primarily contribute to drag enhancement through the two-phase interface, while light droplets reduce the system's drag by explicitly reducing Reynolds stress due to the density dependence of Reynolds stress. Additionally, low-viscosity light droplets contribute to greater drag reduction by further reducing momentum transport near the inner cylinder and implicitly reducing Reynolds stress. While interfacial tension enhances turbulent kinetic energy (TKE) transport, drag enhancement is not strongly correlated with TKE transport for both neutral droplets and low-viscosity droplets. Light droplets primarily reduce the production term by diminishing Reynolds stress, whereas the density contrast between the phases boosts TKE transport near the inner wall. Therefore, the reduction in the dissipation rate is predominantly attributed to decreased turbulence production, causing drag reduction. For low-viscosity light droplets, the production term diminishes further, primarily due to their greater reduction in Reynolds stress, while reduced viscosity weakens the density difference's contribution to TKE transport near the inner cylinder, resulting in a more pronounced reduction in the dissipation rate and consequently stronger drag reduction. Our findings provide new insights into the turbulence modulation in two-phase flow.

In reinforcement learning and imitation learning, an object of central importance is the state distribution induced by the policy. It plays a crucial role in the policy gradient theorem, and references to it--along with the related state-action distribution--can be found all across the literature. Despite its importance, the state distribution is mostly discussed indirectly and theoretically, rather than being modeled explicitly. The reason being an absence of appropriate density estimation tools. In this work, we investigate applications of a normalizing flow-based model for the aforementioned distributions. In particular, we use a pair of flows coupled through the optimality point of the Donsker-Varadhan representation of the Kullback-Leibler (KL) divergence, for distribution matching based imitation learning. Our algorithm, Coupled Flow Imitation Learning (CFIL), achieves state-of-the-art performance on benchmark tasks with a single expert trajectory and extends naturally to a variety of other settings, including the subsampled and state-only regimes.

Normalizing flows are an essential alternative to GANs for generative modelling, which can be optimized directly on the maximum likelihood of the dataset. They also allow computation of the exact latent vector corresponding to an image since they are composed of invertible transformations. However, the requirement of invertibility of the transformation prevents standard and expressive neural network models such as CNNs from being directly used. Emergent convolutions were proposed to construct an invertible 3times3 CNN layer using a pair of masked CNN layers, making them inefficient. We study conditions such that 3times3 CNNs are invertible, allowing them to construct expressive normalizing flows. We derive necessary and sufficient conditions on a padded CNN for it to be invertible. Our conditions for invertibility are simple, can easily be maintained during the training process. Since we require only a single CNN layer for every effective invertible CNN layer, our approach is more efficient than emerging convolutions. We also proposed a coupling method, Quad-coupling. We benchmark our approach and show similar performance results to emergent convolutions while improving the model's efficiency.

We study the problem of the transformation of a given reactant species into an immiscible product species, as they flow through a chemically active porous medium. We derive the equation governing the evolution of the volume fraction of the species -- in a one-dimensional macroscopic description --, identify the relevant dimensionless numbers, and provide simple models for capillary pressure and relative permeabilities, which are quantities of crucial importance when tackling multiphase flows in porous media. We set the domain of validity of our models and discuss the importance of viscous coupling terms in the extended Darcy's law. We investigate numerically the steady regime and demonstrate that the spatial transformation rate of the species along the reactor is non-monotonous, as testified by the existence of an inflection point in the volume fraction profiles. We obtain the scaling of the location of this inflection point with the dimensionless lengths of the problem. Eventually, we provide key elements for optimization of the reactor.

Minibatch optimal transport coupling straightens paths in unconditional flow matching. This leads to computationally less demanding inference as fewer integration steps and less complex numerical solvers can be employed when numerically solving an ordinary differential equation at test time. However, in the conditional setting, minibatch optimal transport falls short. This is because the default optimal transport mapping disregards conditions, resulting in a conditionally skewed prior distribution during training. In contrast, at test time, we have no access to the skewed prior, and instead sample from the full, unbiased prior distribution. This gap between training and testing leads to a subpar performance. To bridge this gap, we propose conditional optimal transport C^2OT that adds a conditional weighting term in the cost matrix when computing the optimal transport assignment. Experiments demonstrate that this simple fix works with both discrete and continuous conditions in 8gaussians-to-moons, CIFAR-10, ImageNet-32x32, and ImageNet-256x256. Our method performs better overall compared to the existing baselines across different function evaluation budgets. Code is available at https://hkchengrex.github.io/C2OT

We present rectified flow, a surprisingly simple approach to learning (neural) ordinary differential equation (ODE) models to transport between two empirically observed distributions \pi_0 and \pi_1, hence providing a unified solution to generative modeling and domain transfer, among various other tasks involving distribution transport. The idea of rectified flow is to learn the ODE to follow the straight paths connecting the points drawn from \pi_0 and \pi_1 as much as possible. This is achieved by solving a straightforward nonlinear least squares optimization problem, which can be easily scaled to large models without introducing extra parameters beyond standard supervised learning. The straight paths are special and preferred because they are the shortest paths between two points, and can be simulated exactly without time discretization and hence yield computationally efficient models. We show that the procedure of learning a rectified flow from data, called rectification, turns an arbitrary coupling of \pi_0 and \pi_1 to a new deterministic coupling with provably non-increasing convex transport costs. In addition, recursively applying rectification allows us to obtain a sequence of flows with increasingly straight paths, which can be simulated accurately with coarse time discretization in the inference phase. In empirical studies, we show that rectified flow performs superbly on image generation, image-to-image translation, and domain adaptation. In particular, on image generation and translation, our method yields nearly straight flows that give high quality results even with a single Euler discretization step.

We introduce Lagrangian Flow Networks (LFlows) for modeling fluid densities and velocities continuously in space and time. By construction, the proposed LFlows satisfy the continuity equation, a PDE describing mass conservation in its differentiable form. Our model is based on the insight that solutions to the continuity equation can be expressed as time-dependent density transformations via differentiable and invertible maps. This follows from classical theory of the existence and uniqueness of Lagrangian flows for smooth vector fields. Hence, we model fluid densities by transforming a base density with parameterized diffeomorphisms conditioned on time. The key benefit compared to methods relying on numerical ODE solvers or PINNs is that the analytic expression of the velocity is always consistent with changes in density. Furthermore, we require neither expensive numerical solvers, nor additional penalties to enforce the PDE. LFlows show higher predictive accuracy in density modeling tasks compared to competing models in 2D and 3D, while being computationally efficient. As a real-world application, we model bird migration based on sparse weather radar measurements.

The proposed method aims to approximate a solution of a fluid-fluid interaction problem in case of low viscosities. The nonlinear interface condition on the joint boundary allows for this problem to be viewed as a simplified version of the atmosphere-ocean coupling. Thus, the proposed method should be viewed as potentially applicable to air-sea coupled flows in turbulent regime. The method consists of two key ingredients. The geometric averaging approach is used for efficient and stable decoupling of the problem, which would allow for the usage of preexisting codes for the air and sea domain separately, as "black boxes". This is combined with the variational multiscale stabilization technique for treating flows at high Reynolds numbers. We prove the stability and accuracy of the method and provide several numerical tests to assess both the quantitative and qualitative features of the computed solution.

Predicting flows that occur both through and around porous bodies is challenging due to coupled physics across fluid and porous regions and the need to generalize across diverse geometries and boundary conditions. We address this problem using two Physics Informed learning approaches: Physics Informed PointNets (PIPN) and Physics Informed Geometry Aware Neural Operator (P-IGANO). We enforce the incompressible Navier Stokes equations in the free-flow region and a Darcy Forchheimer extension in the porous region within a unified loss and condition the networks on geometry and material parameters. Datasets are generated with OpenFOAM on 2D ducts containing porous obstacles and on 3D windbreak scenarios with tree canopies and buildings. We first verify the pipeline via the method of manufactured solutions, then assess generalization to unseen shapes, and for PI-GANO, to variable boundary conditions and parameter settings. The results show consistently low velocity and pressure errors in both seen and unseen cases, with accurate reproduction of the wake structures. Performance degrades primarily near sharp interfaces and in regions with large gradients. Overall, the study provides a first systematic evaluation of PIPN/PI-GANO for simultaneous through-and-around porous flows and shows their potential to accelerate design studies without retraining per geometry.

Recently, data-driven simulators based on graph neural networks have gained attention in modeling physical systems on unstructured meshes. However, they struggle with long-range dependencies in fluid flows, particularly in refined mesh regions. This challenge, known as the 'over-squashing' problem, hinders information propagation. While existing graph rewiring methods address this issue to some extent, they only consider graph topology, overlooking the underlying physical phenomena. We propose Physics-Informed Ollivier-Ricci Flow (PIORF), a novel rewiring method that combines physical correlations with graph topology. PIORF uses Ollivier-Ricci curvature (ORC) to identify bottleneck regions and connects these areas with nodes in high-velocity gradient nodes, enabling long-range interactions and mitigating over-squashing. Our approach is computationally efficient in rewiring edges and can scale to larger simulations. Experimental results on 3 fluid dynamics benchmark datasets show that PIORF consistently outperforms baseline models and existing rewiring methods, achieving up to 26.2 improvement.

Flow matching is a recent state-of-the-art framework for generative modeling based on ordinary differential equations (ODEs). While closely related to diffusion models, it provides a more general perspective on generative modeling. Although inverse problem solving has been extensively explored using diffusion models, it has not been rigorously examined within the broader context of flow models. Therefore, here we extend the diffusion inverse solvers (DIS) - which perform posterior sampling by combining a denoising diffusion prior with an likelihood gradient - into the flow framework. Specifically, by driving the flow-version of Tweedie's formula, we decompose the flow ODE into two components: one for clean image estimation and the other for noise estimation. By integrating the likelihood gradient and stochastic noise into each component, respectively, we demonstrate that posterior sampling for inverse problem solving can be effectively achieved using flows. Our proposed solver, Flow-Driven Posterior Sampling (FlowDPS), can also be seamlessly integrated into a latent flow model with a transformer architecture. Across four linear inverse problems, we confirm that FlowDPS outperforms state-of-the-art alternatives, all without requiring additional training.

Generative models inspired by dynamical transport of measure -- such as flows and diffusions -- construct a continuous-time map between two probability densities. Conventionally, one of these is the target density, only accessible through samples, while the other is taken as a simple base density that is data-agnostic. In this work, using the framework of stochastic interpolants, we formalize how to couple the base and the target densities. This enables us to incorporate information about class labels or continuous embeddings to construct dynamical transport maps that serve as conditional generative models. We show that these transport maps can be learned by solving a simple square loss regression problem analogous to the standard independent setting. We demonstrate the usefulness of constructing dependent couplings in practice through experiments in super-resolution and in-painting.

Numerous biological and physical processes can be modeled as systems of interacting entities evolving continuously over time, e.g. the dynamics of communicating cells or physical particles. Learning the dynamics of such systems is essential for predicting the temporal evolution of populations across novel samples and unseen environments. Flow-based models allow for learning these dynamics at the population level - they model the evolution of the entire distribution of samples. However, current flow-based models are limited to a single initial population and a set of predefined conditions which describe different dynamics. We argue that multiple processes in natural sciences have to be represented as vector fields on the Wasserstein manifold of probability densities. That is, the change of the population at any moment in time depends on the population itself due to the interactions between samples. In particular, this is crucial for personalized medicine where the development of diseases and their respective treatment response depends on the microenvironment of cells specific to each patient. We propose Meta Flow Matching (MFM), a practical approach to integrating along these vector fields on the Wasserstein manifold by amortizing the flow model over the initial populations. Namely, we embed the population of samples using a Graph Neural Network (GNN) and use these embeddings to train a Flow Matching model. This gives MFM the ability to generalize over the initial distributions unlike previously proposed methods. We demonstrate the ability of MFM to improve prediction of individual treatment responses on a large scale multi-patient single-cell drug screen dataset.

Modern continuous-time generative models typically induce V-shaped flows: each sample travels independently along a nearly straight trajectory from the prior to the data. Although effective, this independent movement overlooks the hierarchical structures that exist in real-world data. To address this, we introduce Y-shaped generative flows, a framework in which samples travel together along shared pathways before branching off to target-specific endpoints. Our formulation is theoretically justified, yet remains practical, requiring only minimal modifications to standard velocity-driven models. We implement this through a scalable, neural network-based training objective. Experiments on synthetic, image, and biological datasets demonstrate that our method recovers hierarchy-aware structures, improves distributional metrics over strong flow-based baselines, and reaches targets in fewer steps.

This monograph presents the core principles that have guided the development of diffusion models, tracing their origins and showing how diverse formulations arise from shared mathematical ideas. Diffusion modeling starts by defining a forward process that gradually corrupts data into noise, linking the data distribution to a simple prior through a continuum of intermediate distributions. The goal is to learn a reverse process that transforms noise back into data while recovering the same intermediates. We describe three complementary views. The variational view, inspired by variational autoencoders, sees diffusion as learning to remove noise step by step. The score-based view, rooted in energy-based modeling, learns the gradient of the evolving data distribution, indicating how to nudge samples toward more likely regions. The flow-based view, related to normalizing flows, treats generation as following a smooth path that moves samples from noise to data under a learned velocity field. These perspectives share a common backbone: a time-dependent velocity field whose flow transports a simple prior to the data. Sampling then amounts to solving a differential equation that evolves noise into data along a continuous trajectory. On this foundation, the monograph discusses guidance for controllable generation, efficient numerical solvers, and diffusion-motivated flow-map models that learn direct mappings between arbitrary times. It provides a conceptual and mathematically grounded understanding of diffusion models for readers with basic deep-learning knowledge.

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 training CNFs based on regressing vector fields of fixed conditional probability paths. Flow Matching is compatible with a general family of Gaussian probability paths for transforming between noise and data samples -- which subsumes existing diffusion paths as specific instances. Interestingly, we find that employing FM with diffusion paths results in a more robust and stable alternative for training diffusion models. Furthermore, Flow Matching opens the door to training CNFs with other, non-diffusion probability paths. An instance of particular interest is using Optimal Transport (OT) displacement interpolation to define the conditional probability paths. These paths are more efficient than diffusion paths, provide faster training and sampling, and result in better generalization. Training CNFs using Flow Matching on ImageNet leads to consistently better performance than alternative diffusion-based methods in terms of both likelihood and sample quality, and allows fast and reliable sample generation using off-the-shelf numerical ODE solvers.

Normalizing flows are a promising tool for modeling probability distributions in physical systems. While state-of-the-art flows accurately approximate distributions and energies, applications in physics additionally require smooth energies to compute forces and higher-order derivatives. Furthermore, such densities are often defined on non-trivial topologies. A recent example are Boltzmann Generators for generating 3D-structures of peptides and small proteins. These generative models leverage the space of internal coordinates (dihedrals, angles, and bonds), which is a product of hypertori and compact intervals. In this work, we introduce a class of smooth mixture transformations working on both compact intervals and hypertori. Mixture transformations employ root-finding methods to invert them in practice, which has so far prevented bi-directional flow training. To this end, we show that parameter gradients and forces of such inverses can be computed from forward evaluations via the inverse function theorem. We demonstrate two advantages of such smooth flows: they allow training by force matching to simulation data and can be used as potentials in molecular dynamics simulations.

MeanFlow has recently emerged as a powerful framework for few-step generative modeling trained from scratch, but its success is not yet fully understood. In this work, we show that the MeanFlow objective naturally decomposes into two parts: trajectory flow matching and trajectory consistency. Through gradient analysis, we find that these terms are strongly negatively correlated, causing optimization conflict and slow convergence. Motivated by these insights, we introduce alpha-Flow, a broad family of objectives that unifies trajectory flow matching, Shortcut Model, and MeanFlow under one formulation. By adopting a curriculum strategy that smoothly anneals from trajectory flow matching to MeanFlow, alpha-Flow disentangles the conflicting objectives, and achieves better convergence. When trained from scratch on class-conditional ImageNet-1K 256x256 with vanilla DiT backbones, alpha-Flow consistently outperforms MeanFlow across scales and settings. Our largest alpha-Flow-XL/2+ model achieves new state-of-the-art results using vanilla DiT backbones, with FID scores of 2.58 (1-NFE) and 2.15 (2-NFE).

Flow matching (FM) is a general framework for defining probability paths via Ordinary Differential Equations (ODEs) to transform between noise and data samples. Recent approaches attempt to straighten these flow trajectories to generate high-quality samples with fewer function evaluations, typically through iterative rectification methods or optimal transport solutions. In this paper, we introduce Consistency Flow Matching (Consistency-FM), a novel FM method that explicitly enforces self-consistency in the velocity field. Consistency-FM directly defines straight flows starting from different times to the same endpoint, imposing constraints on their velocity values. Additionally, we propose a multi-segment training approach for Consistency-FM to enhance expressiveness, achieving a better trade-off between sampling quality and speed. Preliminary experiments demonstrate that our Consistency-FM significantly improves training efficiency by converging 4.4x faster than consistency models and 1.7x faster than rectified flow models while achieving better generation quality. Our code is available at: https://github.com/YangLing0818/consistency_flow_matching

Consistency Training (CT) has recently emerged as a promising alternative to diffusion models, achieving competitive performance in image generation tasks. However, non-distillation consistency training often suffers from high variance and instability, and analyzing and improving its training dynamics is an active area of research. In this work, we propose a novel CT training approach based on the Flow Matching framework. Our main contribution is a trained noise-coupling scheme inspired by the architecture of Variational Autoencoders (VAE). By training a data-dependent noise emission model implemented as an encoder architecture, our method can indirectly learn the geometry of the noise-to-data mapping, which is instead fixed by the choice of the forward process in classical CT. Empirical results across diverse image datasets show significant generative improvements, with our model outperforming baselines and achieving the state-of-the-art (SoTA) non-distillation CT FID on CIFAR-10, and attaining FID on par with SoTA on ImageNet at 64 times 64 resolution in 2-step generation. Our code is available at https://github.com/sony/vct .

In recent years, Physics-Informed Neural Networks (PINNs) have emerged as a powerful and robust framework for solving nonlinear differential equations across a wide range of scientific and engineering disciplines, including biology, geophysics, astrophysics and fluid dynamics. In the PINN framework, the governing partial differential equations, along with initial and boundary conditions, are encoded directly into the loss function, enabling the network to learn solutions that are consistent with the underlying physics. In this work, we employ the PINN framework to solve the dimensionless Navier-Stokes equations for three two-dimensional incompressible, steady, laminar flow problems without using any labeled data. The boundary and initial conditions are enforced in a hard manner, ensuring they are satisfied exactly rather than penalized during training. We validate the PINN predicted velocity profiles, drag coefficients and pressure profiles against the conventional computational fluid dynamics (CFD) simulations for moderate to high values of Reynolds number (Re). It is observed that the PINN predictions show good agreement with the CFD results at lower Re. We also extend our analysis to a transient condition and find that our method is equally capable of simulating complex time-dependent flow dynamics. To quantitatively assess the accuracy, we compute the L_2 normalized error, which lies in the range O(10^{-4}) - O(10^{-1}) for our chosen case studies.

Diffusion and flow models have become the dominant paradigm for generative modeling on Riemannian manifolds, with successful applications in protein backbone generation and DNA sequence design. However, these methods require tens to hundreds of neural network evaluations at inference time, which can become a computational bottleneck in large-scale scientific sampling workflows. We introduce Riemannian MeanFlow~(RMF), a framework for learning flow maps directly on manifolds, enabling high-quality generations with as few as one forward pass. We derive three equivalent characterizations of the manifold average velocity (Eulerian, Lagrangian, and semigroup identities), and analyze parameterizations and stabilization techniques to improve training on high-dimensional manifolds. In promoter DNA design and protein backbone generation settings, RMF achieves comparable sample quality to prior methods while requiring up to 10times fewer function evaluations. Finally, we show that few-step flow maps enable efficient reward-guided design through reward look-ahead, where terminal states can be predicted from intermediate steps at minimal additional cost.

This work presents mixed variational flows (MixFlows), a new variational family that consists of a mixture of repeated applications of a map to an initial reference distribution. First, we provide efficient algorithms for i.i.d. sampling, density evaluation, and unbiased ELBO estimation. We then show that MixFlows have MCMC-like convergence guarantees when the flow map is ergodic and measure-preserving, and provide bounds on the accumulation of error for practical implementations where the flow map is approximated. Finally, we develop an implementation of MixFlows based on uncorrected discretized Hamiltonian dynamics combined with deterministic momentum refreshment. Simulated and real data experiments show that MixFlows can provide more reliable posterior approximations than several black-box normalizing flows, as well as samples of comparable quality to those obtained from state-of-the-art MCMC methods.

Physics-informed neural networks (PINNs) leverage neural-networks to find the solutions of partial differential equation (PDE)-constrained optimization problems with initial conditions and boundary conditions as soft constraints. These soft constraints are often considered to be the sources of the complexity in the training phase of PINNs. Here, we demonstrate that the challenge of training (i) persists even when the boundary conditions are strictly enforced, and (ii) is closely related to the Kolmogorov n-width associated with problems demonstrating transport, convection, traveling waves, or moving fronts. Given this realization, we describe the mechanism underlying the training schemes such as those used in eXtended PINNs (XPINN), curriculum regularization, and sequence-to-sequence learning. For an important category of PDEs, i.e., governed by non-linear convection-diffusion equation, we propose reformulating PINNs on a Lagrangian frame of reference, i.e., LPINNs, as a PDE-informed solution. A parallel architecture with two branches is proposed. One branch solves for the state variables on the characteristics, and the second branch solves for the low-dimensional characteristics curves. The proposed architecture conforms to the causality innate to the convection, and leverages the direction of travel of the information in the domain. Finally, we demonstrate that the loss landscapes of LPINNs are less sensitive to the so-called "complexity" of the problems, compared to those in the traditional PINNs in the Eulerian framework.

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.

Solving partial differential equations (PDEs) with machine learning has recently attracted great attention, as PDEs are fundamental tools for modeling real-world systems that range from fundamental physical science to advanced engineering disciplines. Most real-world physical systems across various disciplines are actually involved in multiple coupled physical fields rather than a single field. However, previous machine learning studies mainly focused on solving single-field problems, but overlooked the importance and characteristics of multiphysics problems in real world. Multiphysics PDEs typically entail multiple strongly coupled variables, thereby introducing additional complexity and challenges, such as inter-field coupling. Both benchmarking and solving multiphysics problems with machine learning remain largely unexamined. To identify and address the emerging challenges in multiphysics problems, we mainly made three contributions in this work. First, we collect the first general multiphysics dataset, the Multiphysics Bench, that focuses on multiphysics PDE solving with machine learning. Multiphysics Bench is also the most comprehensive PDE dataset to date, featuring the broadest range of coupling types, the greatest diversity of PDE formulations, and the largest dataset scale. Second, we conduct the first systematic investigation on multiple representative learning-based PDE solvers, such as PINNs, FNO, DeepONet, and DiffusionPDE solvers, on multiphysics problems. Unfortunately, naively applying these existing solvers usually show very poor performance for solving multiphysics. Third, through extensive experiments and discussions, we report multiple insights and a bag of useful tricks for solving multiphysics with machine learning, motivating future directions in the study and simulation of complex, coupled physical systems.

Focusing on simulated dilute polymer solutions, this letter investigates the interactions between flow structures and organized polymer stress sheets for the steady arrowhead coherent structure in a two-dimensional periodic channel flow. Formulating the problem in a frame of reference moving with the arrowhead velocity, streamlines, which are also pathlines in this frame, enables the identification of two distinct topological regions linked to two stagnation points. The streamlines help connecting the spatial distribution of polymer stress within the sheets and the dynamics of polymers transported by the flow. Using stresslines, lines parallel to the eigenvectors of polymer stress, a novel formulation of the viscoelastic stress term in the momentum transport equation proposes a more intuitive interpretation of the relation between the curvature of the stresslines, and the variation of stress along these lines, with the local flow topology. An approximation of this formulation is shown to explain the pressure jump observed in the arrowhead structure as a function of the local curvature of the polymer stress sheet.

Recent advances in artificial intelligence (AI) have produced highly capable and controllable systems. This creates unprecedented opportunities for structured reasoning as well as collaboration among multiple AI systems and humans. To fully realize this potential, it is essential to develop a principled way of designing and studying such structured interactions. For this purpose, we introduce the conceptual framework of Flows: a systematic approach to modeling complex interactions. Flows are self-contained building blocks of computation, with an isolated state, communicating through a standardized message-based interface. This modular design allows Flows to be recursively composed into arbitrarily nested interactions, with a substantial reduction of complexity. Crucially, any interaction can be implemented using this framework, including prior work on AI--AI and human--AI interactions, prompt engineering schemes, and tool augmentation. We demonstrate the potential of Flows on the task of competitive coding, a challenging task on which even GPT-4 struggles. Our results suggest that structured reasoning and collaboration substantially improve generalization, with AI-only Flows adding +21 and human--AI Flows adding +54 absolute points in terms of solve rate. To support rapid and rigorous research, we introduce the aiFlows library. The library comes with a repository of Flows that can be easily used, extended, and composed into novel, more complex Flows. The aiFlows library is available at https://github.com/epfl-dlab/aiflows. Data and Flows for reproducing our experiments are available at https://github.com/epfl-dlab/cc_flows.

In an experiment on a turbulent jet, we detect interfacial turbulent layers in a frame that moves, on average, along with the \tnti. This significantly prolongs the observation time of scalar and velocity structures and enables the measurement of two types of Lagrangian coherent structures. One structure, the finite-time Lyapunov field (FTLE), quantifies advective transport barriers of fluid parcels while the other structure highlights barriers of diffusive momentum transport. These two complementary structures depend on large-scale and small-scale motion and are therefore associated with the growth of the turbulent region through engulfment or nibbling, respectively. We detect the \tnti\ from cluster analysis, where we divide the measured scalar field into four clusters. Not only the \tnti\ can be found this way, but also the next, internal, turbulent-turbulent interface. Conditional averages show that these interfaces are correlated with barriers of advective and diffusive transport when the Lagrangian integration time is smaller than the integral time scale. Diffusive structures decorrelate faster since they have a smaller timescale. Conditional averages of these structures at internal turbulent-turbulent interfaces show the same pattern with a more pronounced jump at the interface indicative of a shear layer. This is quite an unexpected outcome, as the internal interface is now defined not by the presence or absence of vorticity, but by conditional vorticity corresponding to two uniform concentration zones. The long-time diffusive momentum flux along Lagrangian paths represents the growth of the turbulent flow into the irrotational domain, a direct demonstration of nibbling. The diffusive flux parallel to the \tnti\ appears to be concentrated in a diffusive superlayer whose width is comparable with the Taylor microscale, which is relatively invariant in time.

Flow matching casts sample generation as learning a continuous-time velocity field that transports noise to data. Existing flow matching networks typically predict each point's velocity independently, considering only its location and time along its flow trajectory, and ignoring neighboring points. However, this pointwise approach may overlook correlations between points along the generation trajectory that could enhance velocity predictions, thereby improving downstream generation quality. To address this, we propose Graph Flow Matching (GFM), a lightweight enhancement that decomposes the learned velocity into a reaction term -- any standard flow matching network -- and a diffusion term that aggregates neighbor information via a graph neural module. This reaction-diffusion formulation retains the scalability of deep flow models while enriching velocity predictions with local context, all at minimal additional computational cost. Operating in the latent space of a pretrained variational autoencoder, GFM consistently improves Fr\'echet Inception Distance (FID) and recall across five image generation benchmarks (LSUN Church, LSUN Bedroom, FFHQ, AFHQ-Cat, and CelebA-HQ at 256times256), demonstrating its effectiveness as a modular enhancement to existing flow matching architectures.

We present Piecewise Rectified Flow (PeRFlow), a flow-based method for accelerating diffusion models. PeRFlow divides the sampling process of generative flows into several time windows and straightens the trajectories in each interval via the reflow operation, thereby approaching piecewise linear flows. PeRFlow achieves superior performance in a few-step generation. Moreover, through dedicated parameterizations, the obtained PeRFlow models show advantageous transfer ability, serving as universal plug-and-play accelerators that are compatible with various workflows based on the pre-trained diffusion models. The implementations of training and inference are fully open-sourced. https://github.com/magic-research/piecewise-rectified-flow

Few-step diffusion or flow-based generative models typically distill a velocity-predicting teacher into a student that predicts a shortcut towards denoised data. This format mismatch has led to complex distillation procedures that often suffer from a quality-diversity trade-off. To address this, we propose policy-based flow models (pi-Flow). pi-Flow modifies the output layer of a student flow model to predict a network-free policy at one timestep. The policy then produces dynamic flow velocities at future substeps with negligible overhead, enabling fast and accurate ODE integration on these substeps without extra network evaluations. To match the policy's ODE trajectory to the teacher's, we introduce a novel imitation distillation approach, which matches the policy's velocity to the teacher's along the policy's trajectory using a standard ell_2 flow matching loss. By simply mimicking the teacher's behavior, pi-Flow enables stable and scalable training and avoids the quality-diversity trade-off. On ImageNet 256^2, it attains a 1-NFE FID of 2.85, outperforming MeanFlow of the same DiT architecture. On FLUX.1-12B and Qwen-Image-20B at 4 NFEs, pi-Flow achieves substantially better diversity than state-of-the-art few-step methods, while maintaining teacher-level quality.

Generative machine learning methods, such as diffusion models and flow matching, have shown great potential in modeling complex system behaviors and building efficient surrogate models. However, these methods typically learn the underlying physics implicitly from data. We propose Physics-Based Flow Matching (PBFM), a novel generative framework that explicitly embeds physical constraints, both PDE residuals and algebraic relations, into the flow matching objective. We also introduce temporal unrolling at training time that improves the accuracy of the final, noise-free sample prediction. Our method jointly minimizes the flow matching loss and the physics-based residual loss without requiring hyperparameter tuning of their relative weights. Additionally, we analyze the role of the minimum noise level, sigma_{min}, in the context of physical constraints and evaluate a stochastic sampling strategy that helps to reduce physical residuals. Through extensive benchmarks on three representative PDE problems, we show that our approach yields up to an 8times more accurate physical residuals compared to FM, while clearly outperforming existing algorithms in terms of distributional accuracy. PBFM thus provides a principled and efficient framework for surrogate modeling, uncertainty quantification, and accelerated simulation in physics and engineering applications.

Guidance of generative models is typically achieved by modifying the probability flow vector field through the addition of a guidance field. In this paper, we instead propose the Source-Guided Flow Matching (SGFM) framework, which modifies the source distribution directly while keeping the pre-trained vector field intact. This reduces the guidance problem to a well-defined problem of sampling from the source distribution. We theoretically show that SGFM recovers the desired target distribution exactly. Furthermore, we provide bounds on the Wasserstein error for the generated distribution when using an approximate sampler of the source distribution and an approximate vector field. The key benefit of our approach is that it allows the user to flexibly choose the sampling method depending on their specific problem. To illustrate this, we systematically compare different sampling methods and discuss conditions for asymptotically exact guidance. Moreover, our framework integrates well with optimal flow matching models since the straight transport map generated by the vector field is preserved. Experimental results on synthetic 2D benchmarks, physics-informed generative tasks, and imaging inverse problems demonstrate the effectiveness and flexibility of the proposed framework.

Normalizing flows (NF) are a class of powerful generative models that have gained popularity in recent years due to their ability to model complex distributions with high flexibility and expressiveness. In this work, we introduce a new type of normalizing flow that is tailored for modeling positions and orientations of multiple objects in three-dimensional space, such as molecules in a crystal. Our approach is based on two key ideas: first, we define smooth and expressive flows on the group of unit quaternions, which allows us to capture the continuous rotational motion of rigid bodies; second, we use the double cover property of unit quaternions to define a proper density on the rotation group. This ensures that our model can be trained using standard likelihood-based methods or variational inference with respect to a thermodynamic target density. We evaluate the method by training Boltzmann generators for two molecular examples, namely the multi-modal density of a tetrahedral system in an external field and the ice XI phase in the TIP4P water model. Our flows can be combined with flows operating on the internal degrees of freedom of molecules and constitute an important step towards the modeling of distributions of many interacting molecules.

We propose Riemannian Flow Matching (RFM), a simple yet powerful framework for training continuous normalizing flows on manifolds. Existing methods for generative modeling on manifolds either require expensive simulation, are inherently unable to scale to high dimensions, or use approximations for limiting quantities that result in biased training objectives. Riemannian Flow Matching bypasses these limitations and offers several advantages over previous approaches: it is simulation-free on simple geometries, does not require divergence computation, and computes its target vector field in closed-form. The key ingredient behind RFM is the construction of a relatively simple premetric for defining target vector fields, which encompasses the existing Euclidean case. To extend to general geometries, we rely on the use of spectral decompositions to efficiently compute premetrics on the fly. Our method achieves state-of-the-art performance on many real-world non-Euclidean datasets, and we demonstrate tractable training on general geometries, including triangular meshes with highly non-trivial curvature and boundaries.

Diffusion models are commonly interpreted as learning the score function, i.e., the gradient of the log-density of noisy data. However, this assumption implies that the target of learning is a conservative vector field, which is not enforced by the neural network architectures used in practice. We present numerical evidence that trained diffusion networks violate both integral and differential constraints required of true score functions, demonstrating that the learned vector fields are not conservative. Despite this, the models perform remarkably well as generative mechanisms. To explain this apparent paradox, we advocate a new theoretical perspective: diffusion training is better understood as flow matching to the velocity field of a Wasserstein Gradient Flow (WGF), rather than as score learning for a reverse-time stochastic differential equation. Under this view, the "probability flow" arises naturally from the WGF framework, eliminating the need to invoke reverse-time SDE theory and clarifying why generative sampling remains successful even when the neural vector field is not a true score. We further show that non-conservative errors from neural approximation do not necessarily harm density transport. Our results advocate for adopting the WGF perspective as a principled, elegant, and theoretically grounded framework for understanding diffusion generative models.

Leveraging representation encoders for generative modeling offers a path for efficient, high-fidelity synthesis. However, standard diffusion transformers fail to converge on these representations directly. While recent work attributes this to a capacity bottleneck proposing computationally expensive width scaling of diffusion transformers we demonstrate that the failure is fundamentally geometric. We identify Geometric Interference as the root cause: standard Euclidean flow matching forces probability paths through the low-density interior of the hyperspherical feature space of representation encoders, rather than following the manifold surface. To resolve this, we propose Riemannian Flow Matching with Jacobi Regularization (RJF). By constraining the generative process to the manifold geodesics and correcting for curvature-induced error propagation, RJF enables standard Diffusion Transformer architectures to converge without width scaling. Our method RJF enables the standard DiT-B architecture (131M parameters) to converge effectively, achieving an FID of 3.37 where prior methods fail to converge. Code: https://github.com/amandpkr/RJF

Flow models are effective at progressively generating realistic images, but they generally struggle to capture long-range dependencies during the generation process as they compress all the information from previous time steps into a single corrupted image. To address this limitation, we propose integrating autoregressive modeling -- known for its excellence in modeling complex, high-dimensional joint probability distributions -- into flow models. During training, at each step, we construct causally-ordered sequences by sampling multiple images from the same semantic category and applying different levels of noise, where images with higher noise levels serve as causal predecessors to those with lower noise levels. This design enables the model to learn broader category-level variations while maintaining proper causal relationships in the flow process. During generation, the model autoregressively conditions the previously generated images from earlier denoising steps, forming a contextual and coherent generation trajectory. Additionally, we design a customized hybrid linear attention mechanism tailored to our modeling approach to enhance computational efficiency. Our approach, termed ARFlow, under 400k training steps, achieves 14.08 FID scores on ImageNet at 128 * 128 without classifier-free guidance, reaching 4.34 FID with classifier-free guidance 1.5, significantly outperforming the previous flow-based model SiT's 9.17 FID. Extensive ablation studies demonstrate the effectiveness of our modeling strategy and chunk-wise attention design.

Deep learning has emerged as a promising paradigm for spatio-temporal modeling of fluid dynamics. However, existing approaches often suffer from limited generalization to unseen flow conditions and typically require retraining when applied to new scenarios. In this paper, we present LLM4Fluid, a spatio-temporal prediction framework that leverages Large Language Models (LLMs) as generalizable neural solvers for fluid dynamics. The framework first compresses high-dimensional flow fields into a compact latent space via reduced-order modeling enhanced with a physics-informed disentanglement mechanism, effectively mitigating spatial feature entanglement while preserving essential flow structures. A pretrained LLM then serves as a temporal processor, autoregressively predicting the dynamics of physical sequences with time series prompts. To bridge the modality gap between prompts and physical sequences, which can otherwise degrade prediction accuracy, we propose a dedicated modality alignment strategy that resolves representational mismatch and stabilizes long-term prediction. Extensive experiments across diverse flow scenarios demonstrate that LLM4Fluid functions as a robust and generalizable neural solver without retraining, achieving state-of-the-art accuracy while exhibiting powerful zero-shot and in-context learning capabilities. Code and datasets are publicly available at https://github.com/qisongxiao/LLM4Fluid.

In the literature, flows produced by synthetic jets (SJ) have been studied extensively through experiments and numeric simulations. The essential physics of such a complex system has been simplified successfully to Lumped-element models in a wide range of conditions. LE models effectively predict the pressure in the cavity and the velocity in the neck of SJ. But, this does not comprise the complete dynamics of SJ. As soon as the flow starts separating from the neck of the SJ device, vortices and jets form at some distance downstream. These structures are the result of loosening the flow boundaries. Despite such a dramatic change, predictions of LE models remain unverified by measurements of the fully developed jet. We compared predictions of momentum transfer using an LE model with measurements of size and velocity of a fully developed jet/vortex detached from an SJ. Our SJ device operated with air as an active fluid. Comparing measurements and predictions, we found a constant difference for the higher sound pressures. However, the predictions and the measurements follow similar trends. Additionally, we found that the decay rate of the flow regime given by the relationship between the Reynolds and the Strouhal numbers differs significantly when the flow is studied within the neck and downstream the cavity.

We consider the convected Helmholtz equation modeling linear acoustic propagation at a fixed frequency in a subsonic flow around a scattering object. The flow is supposed to be uniform in the exterior domain far from the object, and potential in the interior domain close to the object. Our key idea is the reformulation of the original problem using the Prandtl--Glauert transformation on the whole flow domain, yielding (i) the classical Helmholtz equation in the exterior domain and (ii) an anisotropic diffusive PDE with skew-symmetric first-order perturbation in the interior domain such that its transmission condition at the coupling boundary naturally fits the Neumann condition from the classical Helmholtz equation. Then, efficient off-the-shelf tools can be used to perform the BEM-FEM coupling, leading to two novel variational formulations for the convected Helmholtz equation. The first formulation involves one surface unknown and can be affected by resonant frequencies, while the second formulation avoids resonant frequencies and involves two surface unknowns. Numerical simulations are presented to compare the two formulations.

Generating new molecules is fundamental to advancing critical applications such as drug discovery and material synthesis. Flows can generate molecules effectively by inverting the encoding process, however, existing flow models either require artifactual dequantization or specific node/edge orderings, lack desiderata such as permutation invariance, or induce discrepancy between the encoding and the decoding steps that necessitates post hoc validity correction. We circumvent these issues with novel continuous normalizing E(3)-equivariant flows, based on a system of node ODEs coupled as a graph PDE, that repeatedly reconcile locally toward globally aligned densities. Our models can be cast as message-passing temporal networks, and result in superlative performance on the tasks of density estimation and molecular generation. In particular, our generated samples achieve state-of-the-art on both the standard QM9 and ZINC250K benchmarks.

Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied data distribution are expected to adhere to specific governing equations. We present a framework that unifies generative modeling and partial differential equation fulfillment by introducing a first-principle-based loss term that enforces generated samples to fulfill the underlying physical constraints. Our approach reduces the residual error by up to two orders of magnitude compared to previous work in a fluid flow case study and outperforms task-specific frameworks in relevant metrics for structural topology optimization. We also present numerical evidence that our extended training objective acts as a natural regularization mechanism against overfitting. Our framework is simple to implement and versatile in its applicability for imposing equality and inequality constraints as well as auxiliary optimization objectives.

Flow matching has recently emerged as a powerful alternative to diffusion models, providing a continuous-time formulation for generative modeling and representation learning. Yet, we show that this framework suffers from a fundamental instability in the low-noise regime. As noise levels approach zero, arbitrarily small perturbations in the input can induce large variations in the velocity target, causing the condition number of the learning problem to diverge. This ill-conditioning not only slows optimization but also forces the encoder to reallocate its limited Jacobian capacity toward noise directions, thereby degrading semantic representations. We provide the first theoretical analysis of this phenomenon, which we term the low-noise pathology, establishing its intrinsic link to the structure of the flow matching objective. Building on these insights, we propose Local Contrastive Flow (LCF), a hybrid training protocol that replaces direct velocity regression with contrastive feature alignment at small noise levels, while retaining standard flow matching at moderate and high noise. Empirically, LCF not only improves convergence speed but also stabilizes representation quality. Our findings highlight the critical importance of addressing low-noise pathologies to unlock the full potential of flow matching for both generation and representation learning.

A class of generative models that unifies flow-based and diffusion-based methods is introduced. These models extend the framework proposed in Albergo & Vanden-Eijnden (2023), enabling the use of a broad class of continuous-time stochastic processes called `stochastic interpolants' to bridge any two arbitrary probability density functions exactly in finite time. These interpolants are built by combining data from the two prescribed densities with an additional latent variable that shapes the bridge in a flexible way. The time-dependent probability density function of the stochastic interpolant is shown to satisfy a first-order transport equation as well as a family of forward and backward Fokker-Planck equations with tunable diffusion coefficient. Upon consideration of the time evolution of an individual sample, this viewpoint immediately leads to both deterministic and stochastic generative models based on probability flow equations or stochastic differential equations with an adjustable level of noise. The drift coefficients entering these models are time-dependent velocity fields characterized as the unique minimizers of simple quadratic objective functions, one of which is a new objective for the score of the interpolant density. We show that minimization of these quadratic objectives leads to control of the likelihood for generative models built upon stochastic dynamics, while likelihood control for deterministic dynamics is more stringent. We also discuss connections with other methods such as score-based diffusion models, stochastic localization processes, probabilistic denoising techniques, and rectifying flows. In addition, we demonstrate that stochastic interpolants recover the Schr\"odinger bridge between the two target densities when explicitly optimizing over the interpolant. Finally, algorithmic aspects are discussed and the approach is illustrated on numerical examples.

Denoising generative models, such as diffusion and flow-based models, produce high-quality samples but require many denoising steps due to discretization error. Flow maps, which estimate the average velocity between timesteps, mitigate this error and enable faster sampling. However, their training typically demands architectural changes that limit compatibility with pretrained flow models. We introduce Decoupled MeanFlow, a simple decoding strategy that converts flow models into flow map models without architectural modifications. Our method conditions the final blocks of diffusion transformers on the subsequent timestep, allowing pretrained flow models to be directly repurposed as flow maps. Combined with enhanced training techniques, this design enables high-quality generation in as few as 1 to 4 steps. Notably, we find that training flow models and subsequently converting them is more efficient and effective than training flow maps from scratch. On ImageNet 256x256 and 512x512, our models attain 1-step FID of 2.16 and 2.12, respectively, surpassing prior art by a large margin. Furthermore, we achieve FID of 1.51 and 1.68 when increasing the steps to 4, which nearly matches the performance of flow models while delivering over 100x faster inference.

Conditional flow matching (CFM) has emerged as a powerful framework for training continuous normalizing flows due to its computational efficiency and effectiveness. However, standard CFM often produces paths that deviate significantly from straight-line interpolations between prior and target distributions, making generation slower and less accurate due to the need for fine discretization at inference. Recent methods enhance CFM performance by inducing shorter and straighter trajectories but typically rely on computationally expensive mini-batch optimal transport (OT). Drawing insights from entropic optimal transport (EOT), we propose Weighted Conditional Flow Matching (W-CFM), a novel approach that modifies the classical CFM loss by weighting each training pair (x, y) with a Gibbs kernel. We show that this weighting recovers the entropic OT coupling up to some bias in the marginals, and we provide the conditions under which the marginals remain nearly unchanged. Moreover, we establish an equivalence between W-CFM and the minibatch OT method in the large-batch limit, showing how our method overcomes computational and performance bottlenecks linked to batch size. Empirically, we test our method on unconditional generation on various synthetic and real datasets, confirming that W-CFM achieves comparable or superior sample quality, fidelity, and diversity to other alternative baselines while maintaining the computational efficiency of vanilla CFM.

Flow Matching (FM) algorithm achieves remarkable results in generative tasks especially in robotic manipulation. Building upon the foundations of diffusion models, the simulation-free paradigm of FM enables simple and efficient training, but inherently introduces a train-inference gap. Specifically, we cannot assess the model's output during the training phase. In contrast, other generative models including Variational Autoencoder (VAE), Normalizing Flow and Generative Adversarial Networks (GANs) directly optimize on the reconstruction loss. Such a gap is particularly evident in scenarios that demand high precision, such as robotic manipulation. Moreover, we show that FM's over-pursuit of straight predefined paths may introduce some serious problems such as stiffness into the system. These motivate us to fine-tune FM via Maximum Likelihood Estimation of reconstructions - an approach made feasible by FM's underlying smooth ODE formulation, in contrast to the stochastic differential equations (SDEs) used in diffusion models. This paper first theoretically analyzes the relation between training loss and inference error in FM. Then we propose a method of fine-tuning FM via Maximum Likelihood Estimation of reconstructions, which includes both straightforward fine-tuning and residual-based fine-tuning approaches. Furthermore, through specifically designed architectures, the residual-based fine-tuning can incorporate the contraction property into the model, which is crucial for the model's robustness and interpretability. Experimental results in image generation and robotic manipulation verify that our method reliably improves the inference performance of FM.

Dynamic multi-objective optimization requires continuous tracking of moving Pareto fronts. Existing methods struggle with irregular mutations and data sparsity, primarily facing three challenges: the non-linear coupling of dynamic modes, negative transfer from outdated historical data, and the cold-start problem during environmental switches. To address these issues, this paper proposes a decoupled basis-vector-driven generative framework (DB-GEN). First, to resolve non-linear coupling, the framework employs the discrete wavelet transform to separate evolutionary trajectories into low-frequency trends and high-frequency details. Second, to mitigate negative transfer, it learns transferable basis vectors via sparse dictionary learning rather than directly memorizing historical instances. Recomposing these bases under a topology-aware contrastive constraint constructs a structured latent manifold. Finally, to overcome the cold-start problem, a surrogate-assisted search paradigm samples initial populations from this manifold. Pre-trained on 120 million solutions, DB-GEN performs direct online inference without retraining or fine-tuning. This zero-shot generation process executes in milliseconds, requiring approximately 0.2 seconds per environmental change. Experimental results demonstrate that DB-GEN improves tracking accuracy across various dynamic benchmarks compared to existing algorithms.

Invertible neural networks (INNs) are neural network architectures with invertibility by design. Thanks to their invertibility and the tractability of Jacobian, INNs have various machine learning applications such as probabilistic modeling, generative modeling, and representation learning. However, their attractive properties often come at the cost of restricting the layer designs, which poses a question on their representation power: can we use these models to approximate sufficiently diverse functions? To answer this question, we have developed a general theoretical framework to investigate the representation power of INNs, building on a structure theorem of differential geometry. The framework simplifies the approximation problem of diffeomorphisms, which enables us to show the universal approximation properties of INNs. We apply the framework to two representative classes of INNs, namely Coupling-Flow-based INNs (CF-INNs) and Neural Ordinary Differential Equations (NODEs), and elucidate their high representation power despite the restrictions on their architectures.

We verify a recent prediction (Eq. 3.50 in G. L. Eyink, Phys. Rev. X 11, 031054 (2021)) for the drag on an object moving through a fluid. In this prediction the velocity field is decomposed into a nonvortical (potential) and vortical contribution, and so is the associated drag force. In the Josephson-Anderson relation the vortical contribution of the drag force follows from the flux of vorticity traversing the streamlines of the corresponding potential flow. The potential component is directly determined by the plate acceleration and its added mass. The Josephson-Anderson relation is derived from the quantum description of superfluids, but remarkably applies to the classical fluid in our experiment. In our experiment a flat plate is accelerated through water using a robotic arm. This geometry is simple enough to allow analytic potential flow streamlines. The monitored plate position shows an oscillatory component of the acceleration, which adds an additional test of the Josephson-Anderson relation. The instantaneous velocity field is measured using particle image velocimetry. It enables us to evaluate Eq. 3.50 from [1] and compare its prediction to the measured drag force. We find excellent agreement, and, most remarkably find that the added mass contribution to the drag force still stands out after the flow has turned vortical. We finally comment on the requirements on the experimental techniques for evaluating the Josephson-Anderson relation.

We formulate a hierarchical rectified flow to model data distributions. It hierarchically couples multiple ordinary differential equations (ODEs) and defines a time-differentiable stochastic process that generates a data distribution from a known source distribution. Each ODE resembles the ODE that is solved in a classic rectified flow, but differs in its domain, i.e., location, velocity, acceleration, etc. Unlike the classic rectified flow formulation, which formulates a single ODE in the location domain and only captures the expected velocity field (sufficient to capture a multi-modal data distribution), the hierarchical rectified flow formulation models the multi-modal random velocity field, acceleration field, etc., in their entirety. This more faithful modeling of the random velocity field enables integration paths to intersect when the underlying ODE is solved during data generation. Intersecting paths in turn lead to integration trajectories that are more straight than those obtained in the classic rectified flow formulation, where integration paths cannot intersect. This leads to modeling of data distributions with fewer neural function evaluations. We empirically verify this on synthetic 1D and 2D data as well as MNIST, CIFAR-10, and ImageNet-32 data. Our code is available at: https://riccizz.github.io/HRF/.

Diffusion models can learn rich representations during data generation, showing potential for Self-Supervised Learning (SSL), but they face a trade-off between generative quality and discriminative performance. Their iterative sampling also incurs substantial computational and energy costs, hindering industrial and edge AI applications. To address these issues, we propose the Flow Matching-based Foundation Model (FlowFM), which jointly trains a representation encoder and a conditional flow matching generator. This decoupled design achieves both high-fidelity generation and effective recognition. By using flow matching to learn a simpler velocity field, FlowFM accelerates and stabilizes training, improving its efficiency for representation learning. Experiments on wearable sensor data show FlowFM reduces training time by 50.4\% compared to a diffusion-based approach. On downstream tasks, FlowFM surpassed the state-of-the-art SSL method (SSL-Wearables) on all five datasets while achieving up to a 51.0x inference speedup and maintaining high generative quality. The implementation code is available at https://github.com/Okita-Laboratory/jointOptimizationFlowMatching.

Flow-based generative models achieve state-of-the-art sample quality, but require the expensive solution of a differential equation at inference time. Flow map models, commonly known as consistency models, encompass many recent efforts to improve inference-time efficiency by learning the solution operator of this differential equation. Yet despite their promise, these models lack a unified description that clearly explains how to learn them efficiently in practice. Here, building on the methodology proposed in Boffi et. al. (2024), we present a systematic algorithmic framework for directly learning the flow map associated with a flow or diffusion model. By exploiting a relationship between the velocity field underlying a continuous-time flow and the instantaneous rate of change of the flow map, we show how to convert any distillation scheme into a direct training algorithm via self-distillation, eliminating the need for pre-trained teachers. We introduce three algorithmic families based on different mathematical characterizations of the flow map: Eulerian, Lagrangian, and Progressive methods, which we show encompass and extend all known distillation and direct training schemes for consistency models. We find that the novel class of Lagrangian methods, which avoid both spatial derivatives and bootstrapping from small steps by design, achieve significantly more stable training and higher performance than more standard Eulerian and Progressive schemes. Our methodology unifies existing training schemes under a single common framework and reveals new design principles for accelerated generative modeling. Associated code is available at https://github.com/nmboffi/flow-maps.

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.

Graph generation aims to sample discrete node and edge attributes while satisfying coupled structural constraints. Diffusion models for graphs often adopt largely factorized forward-noising, and many flow-matching methods start from factorized reference noise and coordinate-wise interpolation, so node-edge coupling is not encoded by the generative geometry and must be recovered implicitly by the core network, which can be brittle after discrete decoding. Bayesian Flow Networks (BFNs) evolve distribution parameters and naturally support discrete generation. But classical BFNs typically rely on factorized beliefs and independent channels, which limit geometric evidence fusion. We propose Variational Bayesian Flow Network (VBFN), which performs a variational lifting to a tractable joint Gaussian variational belief family governed by structured precisions. Each Bayesian update reduces to solving a symmetric positive definite linear system, enabling coupled node and edge updates within a single fusion step. We construct sample-agnostic sparse precisions from a representation-induced dependency graph, thereby avoiding label leakage while enforcing node-edge consistency. On synthetic and molecular graph datasets, VBFN improves fidelity and diversity, and surpasses baseline methods.

The multi-step denoising process in diffusion and Flow Matching models causes major efficiency issues, which motivates research on few-step generation. We present Solution Flow Models (SoFlow), a framework for one-step generation from scratch. By analyzing the relationship between the velocity function and the solution function of the velocity ordinary differential equation (ODE), we propose a Flow Matching loss and a solution consistency loss to train our models. The Flow Matching loss allows our models to provide estimated velocity fields for Classifier-Free Guidance (CFG) during training, which improves generation performance. Notably, our consistency loss does not require the calculation of the Jacobian-vector product (JVP), a common requirement in recent works that is not well-optimized in deep learning frameworks like PyTorch. Experimental results indicate that, when trained from scratch using the same Diffusion Transformer (DiT) architecture and an equal number of training epochs, our models achieve better FID-50K scores than MeanFlow models on the ImageNet 256x256 dataset.

Traditional theories of optimization cannot describe the dynamics of optimization in deep learning, even in the simple setting of deterministic training. The challenge is that optimizers typically operate in a complex, oscillatory regime called the "edge of stability." In this paper, we develop theory that can describe the dynamics of optimization in this regime. Our key insight is that while the *exact* trajectory of an oscillatory optimizer may be challenging to analyze, the *time-averaged* (i.e. smoothed) trajectory is often much more tractable. To analyze an optimizer, we derive a differential equation called a "central flow" that characterizes this time-averaged trajectory. We empirically show that these central flows can predict long-term optimization trajectories for generic neural networks with a high degree of numerical accuracy. By interpreting these central flows, we are able to understand how gradient descent makes progress even as the loss sometimes goes up; how adaptive optimizers "adapt" to the local loss landscape; and how adaptive optimizers implicitly navigate towards regions where they can take larger steps. Our results suggest that central flows can be a valuable theoretical tool for reasoning about optimization in deep learning.

Individual chemically active drops suspended in a surfactant solution were observed to self-propel spontaneously with straight, helical, or chaotic trajectories. To elucidate how these drops can exhibit such strikingly different dynamics and `decide' what to do, we propose a minimal axisymmetric model of a spherical active drop, and show that simple and linear interface properties can lead to both steady self-propulsion of the droplet as well as chaotic behavior. The model includes two different mobility mechanisms, namely, diffusiophoresis and the Marangoni effect, that convert self-generated gradients of surfactant concentration into the flow at the droplet surface. In turn, surface-driven flow initiates surfactant advection that is the only nonlinear mechanism and, thus, the only source of dynamical complexity in our model. Numerical investigation of the fully-coupled hydrodynamic and advection diffusion problems reveals that strong advection (e.g., large droplet size) may destabilize a steadily self-propelling drop; once destabilized, the droplet spontaneously stops and a symmetric extensile flow emerges. If advection is strengthened even further in comparison with molecular diffusion, the droplet may perform chaotic oscillations. Our results indicate that the thresholds of these instabilities depend heavily on the balance between diffusiophoresis and the Marangoni effect. Using linear stability analysis, we demonstrate that diffusiophoresis promotes the onset of high-order modes of monotonic instability of the motionless drop. We argue that diffusiophoresis has a similar effect on the instabilities of a moving drop.

We present a formulation of flow matching as variational inference, which we refer to as variational flow matching (VFM). Based on this formulation we develop CatFlow, a flow matching method for categorical data. CatFlow is easy to implement, computationally efficient, and achieves strong results on graph generation tasks. In VFM, the objective is to approximate the posterior probability path, which is a distribution over possible end points of a trajectory. We show that VFM admits both the CatFlow objective and the original flow matching objective as special cases. We also relate VFM to score-based models, in which the dynamics are stochastic rather than deterministic, and derive a bound on the model likelihood based on a reweighted VFM objective. We evaluate CatFlow on one abstract graph generation task and two molecular generation tasks. In all cases, CatFlow exceeds or matches performance of the current state-of-the-art models.

Normalizing Flows (NFs) have been established as a principled framework for generative modeling. Standard NFs consist of a forward process and a reverse process: the forward process maps data to noise, while the reverse process generates samples by inverting it. Typical NF forward transformations are constrained by explicit invertibility, ensuring that the reverse process can serve as their exact analytic inverse. Recent developments in TARFlow and its variants have revitalized NF methods by combining Transformers and autoregressive flows, but have also exposed causal decoding as a major bottleneck. In this work, we introduce Bidirectional Normalizing Flow (BiFlow), a framework that removes the need for an exact analytic inverse. BiFlow learns a reverse model that approximates the underlying noise-to-data inverse mapping, enabling more flexible loss functions and architectures. Experiments on ImageNet demonstrate that BiFlow, compared to its causal decoding counterpart, improves generation quality while accelerating sampling by up to two orders of magnitude. BiFlow yields state-of-the-art results among NF-based methods and competitive performance among single-evaluation ("1-NFE") methods. Following recent encouraging progress on NFs, we hope our work will draw further attention to this classical paradigm.

Diffusion models have revolutionized generative tasks through high-fidelity outputs, yet flow matching (FM) offers faster inference and empirical performance gains. However, current foundation FM models are computationally prohibitive for finetuning, while diffusion models like Stable Diffusion benefit from efficient architectures and ecosystem support. This work addresses the critical challenge of efficiently transferring knowledge from pre-trained diffusion models to flow matching. We propose Diff2Flow, a novel framework that systematically bridges diffusion and FM paradigms by rescaling timesteps, aligning interpolants, and deriving FM-compatible velocity fields from diffusion predictions. This alignment enables direct and efficient FM finetuning of diffusion priors with no extra computation overhead. Our experiments demonstrate that Diff2Flow outperforms na\"ive FM and diffusion finetuning particularly under parameter-efficient constraints, while achieving superior or competitive performance across diverse downstream tasks compared to state-of-the-art methods. We will release our code at https://github.com/CompVis/diff2flow.

We continue study of equilibrium of two species of 2d coulomb charges (or point vortices in 2d ideal fluid) started in Lv. Although for two species of vortices with circulation ratio -1 the relationship between the equilibria and the factorization/Darboux transformation of the Schrodinger operator was established a long ago, the question about similar relationship for the ratio -2 remained unanswered. Here we present the answer.

Editing real images using a pre-trained text-to-image (T2I) diffusion/flow model often involves inverting the image into its corresponding noise map. However, inversion by itself is typically insufficient for obtaining satisfactory results, and therefore many methods additionally intervene in the sampling process. Such methods achieve improved results but are not seamlessly transferable between model architectures. Here, we introduce FlowEdit, a text-based editing method for pre-trained T2I flow models, which is inversion-free, optimization-free and model agnostic. Our method constructs an ODE that directly maps between the source and target distributions (corresponding to the source and target text prompts) and achieves a lower transport cost than the inversion approach. This leads to state-of-the-art results, as we illustrate with Stable Diffusion 3 and FLUX. Code and examples are available on the project's webpage.

While the popularity of physics-informed neural networks (PINNs) is steadily rising, to this date PINNs have not been successful in simulating dynamical systems whose solution exhibits multi-scale, chaotic or turbulent behavior. In this work we attribute this shortcoming to the inability of existing PINNs formulations to respect the spatio-temporal causal structure that is inherent to the evolution of physical systems. We argue that this is a fundamental limitation and a key source of error that can ultimately steer PINN models to converge towards erroneous solutions. We address this pathology by proposing a simple re-formulation of PINNs loss functions that can explicitly account for physical causality during model training. We demonstrate that this simple modification alone is enough to introduce significant accuracy improvements, as well as a practical quantitative mechanism for assessing the convergence of a PINNs model. We provide state-of-the-art numerical results across a series of benchmarks for which existing PINNs formulations fail, including the chaotic Lorenz system, the Kuramoto-Sivashinsky equation in the chaotic regime, and the Navier-Stokes equations in the turbulent regime. To the best of our knowledge, this is the first time that PINNs have been successful in simulating such systems, introducing new opportunities for their applicability to problems of industrial complexity.

Information on liquid jet stream flow is crucial in many real world applications. In a large number of cases, these flows fall directly onto free surfaces (e.g. pools), creating a splash with accompanying splashing sounds. The sound produced is supplied by energy interactions between the liquid jet stream and the passive free surface. In this investigation, we collect the sound of a water jet of varying flowrate falling into a pool of water, and use this sound to predict the flowrate and flowrate trajectory involved. Two approaches are employed: one uses machine-learning models trained using audio features extracted from the collected sound to predict the flowrate (and subsequently the flowrate trajectory). In contrast, the second method directly uses acoustic parameters related to the spectral energy of the liquid-liquid interaction to estimate the flowrate trajectory. The actual flowrate, however, is determined directly using a gravimetric method: tracking the change in mass of the pooling liquid over time. We show here that the two methods agree well with the actual flowrate and offer comparable performance in accurately predicting the flowrate trajectory, and accordingly offer insights for potential real-life applications using sound.

Fluid-structure interaction is common in engineering and natural systems, where floating-body motion is governed by added mass, drag, and background flows. Modeling these dissipative dynamics is difficult: black-box neural models regress state derivatives with limited interpretability and unstable long-horizon predictions. We propose Floating-Body Hydrodynamic Neural Networks (FHNN), a physics-structured framework that predicts interpretable hydrodynamic parameters such as directional added masses, drag coefficients, and a streamfunction-based flow, and couples them with analytic equations of motion. This design constrains the hypothesis space, enhances interpretability, and stabilizes integration. On synthetic vortex datasets, FHNN achieves up to an order-of-magnitude lower error than Neural ODEs, recovers physically consistent flow fields. Compared with Hamiltonian and Lagrangian neural networks, FHNN more effectively handles dissipative dynamics while preserving interpretability, which bridges the gap between black-box learning and transparent system identification.

Continuous-time generative models, such as diffusion models, flow matching, and rectified flow, learn time-dependent vector fields but are typically trained with objectives that treat timesteps independently, leading to high estimator variance and inefficient sampling. Prior approaches mitigate this via explicit smoothness penalties, trajectory regularization, or modified probability paths and solvers. We introduce Temporal Pair Consistency (TPC), a lightweight variance-reduction principle that couples velocity predictions at paired timesteps along the same probability path, operating entirely at the estimator level without modifying the model architecture, probability path, or solver. We provide a theoretical analysis showing that TPC induces a quadratic, trajectory-coupled regularization that provably reduces gradient variance while preserving the underlying flow-matching objective. Instantiated within flow matching, TPC improves sample quality and efficiency across CIFAR-10 and ImageNet at multiple resolutions, achieving lower FID at identical or lower computational cost than prior methods, and extends seamlessly to modern SOTA-style pipelines with noise-augmented training, score-based denoising, and rectified flow.

We study in detail a one-dimensional lattice model of a continuum, conserved field (mass) that is transferred deterministically between neighbouring random sites. The model falls in a wider class of lattice models capturing the joint effect of random advection and diffusion and encompassing as specific cases, some models studied in the literature, like the Kang-Redner, Kipnis-Marchioro-Presutti, Takayasu-Taguchi, etc. The motivation for our setup comes from a straightforward interpretation as advection of particles in one-dimensional turbulence, but it is also related to a problem of synchronization of dynamical systems driven by common noise. For finite lattices, we study both the coalescence of an initially spread field (interpreted as roughening), and the statistical steady-state properties. We distinguish two main size-dependent regimes, depending on the strength of the diffusion term and on the lattice size. Using numerical simulations and mean-field approach, we study the statistics of the field. For weak diffusion, we unveil a characteristic hierarchical structure of the field. We also connect the model and the iterated function systems concept.

Hypothesis: Bacterial contamination of surfaces poses a major threat to public health. Designing effective antibacterial or self-cleaning surfaces requires understanding how bacteria-laden droplets interact with solid substrates and how readily they can be removed. We hypothesize that bacterial motility critically influences the early-stage surface interaction (i.e., surface adhesion) of bacteria-laden droplets, which cannot be captured by conventional contact angle goniometry. Experiments: Sessile droplets containing live and dead Escherichia coli (E. coli) were studied to probe their wetting and interfacial behavior. Contact angle goniometry was used to probe dynamic wetting, while a cantilever-deflection-based method was used to quantify adhesion. Internal flow dynamics were visualized using micro-particle image velocimetry (PIV) and analyzed statistically. Complementary sliding experiments on moderately wettable substrates were performed to assess contact line mobility under tilt. Findings: Despite lower surface tension, droplets containing live bacteria exhibited lower surface adhesion forces than their dead counterparts, with adhesion further decreasing at higher bacterial concentrations. Micro-PIV revealed that flagellated live E. coli actively resist evaporation-driven capillary flow via upstream migration, while at higher concentrations, collective dynamics emerge, producing spatially coherent bacterial motion despite temporal variability. These coordinated flows disrupt passive transport and promote depinning of the contact line, thereby reducing adhesion. Sliding experiments confirmed enhanced contact line mobility and frequent stick-slip motion in live droplets, even with lower receding contact angles and higher hysteresis. These findings provide mechanistic insight into droplet retention, informing the design of self-cleaning/antifouling surfaces.

Fast, geometry-generalizing surrogates for unsteady flow remain challenging. We present a time-dependent, geometry-aware Deep Operator Network that predicts velocity fields for moderate-Re flows around parametric and non-parametric shapes. The model encodes geometry via a signed distance field (SDF) trunk and flow history via a CNN branch, trained on 841 high-fidelity simulations. On held-out shapes, it attains sim 5% relative L2 single-step error and up to 1000X speedups over CFD. We provide physics-centric rollout diagnostics, including phase error at probes and divergence norms, to quantify long-horizon fidelity. These reveal accurate near-term transients but error accumulation in fine-scale wakes, most pronounced for sharp-cornered geometries. We analyze failure modes and outline practical mitigations. Code, splits, and scripts are openly released at: https://github.com/baskargroup/TimeDependent-DeepONet to support reproducibility and benchmarking.

Recent advances in diffusion/flow-matching policies have enabled imitation learning of complex, multi-modal action trajectories. However, they are computationally expensive because they sample a trajectory of trajectories: a diffusion/flow trajectory of action trajectories. They discard intermediate action trajectories, and must wait for the sampling process to complete before any actions can be executed on the robot. We simplify diffusion/flow policies by treating action trajectories as flow trajectories. Instead of starting from pure noise, our algorithm samples from a narrow Gaussian around the last action. Then, it incrementally integrates a velocity field learned via flow matching to produce a sequence of actions that constitute a single trajectory. This enables actions to be streamed to the robot on-the-fly during the flow sampling process, and is well-suited for receding horizon policy execution. Despite streaming, our method retains the ability to model multi-modal behavior. We train flows that stabilize around demonstration trajectories to reduce distribution shift and improve imitation learning performance. Streaming flow policy outperforms prior methods while enabling faster policy execution and tighter sensorimotor loops for learning-based robot control. Project website: https://streaming-flow-policy.github.io/

Deep generative models such as flow matching and diffusion models have shown great potential in learning complex distributions and dynamical systems, but often act as black-boxes, neglecting underlying physics. In contrast, physics-based simulation models described by ODEs/PDEs remain interpretable, but may have missing or unknown terms, unable to fully describe real-world observations. We bridge this gap with a novel grey-box method that integrates incomplete physics models directly into generative models. Our approach learns dynamics from observational trajectories alone, without ground-truth physics parameters, in a simulation-free manner that avoids scalability and stability issues of Neural ODEs. The core of our method lies in modelling a structured variational distribution within the flow matching framework, by using two latent encodings: one to model the missing stochasticity and multi-modal velocity, and a second to encode physics parameters as a latent variable with a physics-informed prior. Furthermore, we present an adaptation of the framework to handle second-order dynamics. Our experiments on representative ODE/PDE problems show that our method performs on par with or superior to fully data-driven approaches and previous grey-box baselines, while preserving the interpretability of the physics model. Our code is available at https://github.com/DMML-Geneva/VGB-DM.

We demonstrate several techniques to encourage practical uses of neural networks for fluid flow estimation. In the present paper, three perspectives which are remaining challenges for applications of machine learning to fluid dynamics are considered: 1. interpretability of machine-learned results, 2. bulking out of training data, and 3. generalizability of neural networks. For the interpretability, we first demonstrate two methods to observe the internal procedure of neural networks, i.e., visualization of hidden layers and application of gradient-weighted class activation mapping (Grad-CAM), applied to canonical fluid flow estimation problems -- (1) drag coefficient estimation of a cylinder wake and (2) velocity estimation from particle images. It is exemplified that both approaches can successfully tell us evidences of the great capability of machine learning-based estimations. We then utilize some techniques to bulk out training data for super-resolution analysis and temporal prediction for cylinder wake and NOAA sea surface temperature data to demonstrate that sufficient training of neural networks with limited amount of training data can be achieved for fluid flow problems. The generalizability of machine learning model is also discussed by accounting for the perspectives of inter/extrapolation of training data, considering super-resolution of wakes behind two parallel cylinders. We find that various flow patterns generated by complex interaction between two cylinders can be reconstructed well, even for the test configurations regarding the distance factor. The present paper can be a significant step toward practical uses of neural networks for both laminar and turbulent flow problems.

Continuous normalizing flows (CNFs) are an attractive generative modeling technique, but they have been held back by limitations in their simulation-based maximum likelihood training. We introduce the generalized conditional flow matching (CFM) technique, a family of simulation-free training objectives for CNFs. CFM features a stable regression objective like that used to train the stochastic flow in diffusion models but enjoys the efficient inference of deterministic flow models. In contrast to both diffusion models and prior CNF training algorithms, CFM does not require the source distribution to be Gaussian or require evaluation of its density. A variant of our objective is optimal transport CFM (OT-CFM), which creates simpler flows that are more stable to train and lead to faster inference, as evaluated in our experiments. Furthermore, we show that when the true OT plan is available, our OT-CFM method approximates dynamic OT. Training CNFs with CFM improves results on a variety of conditional and unconditional generation tasks, such as inferring single cell dynamics, unsupervised image translation, and Schr\"odinger bridge inference.

Continuous normalizing flows (CNFs) learn an ordinary differential equation to transform prior samples into data. Flow matching (FM) has recently emerged as a simulation-free approach for training CNFs by regressing a velocity model towards the conditional velocity field. However, on constrained domains, the learned velocity model may lead to undesirable flows that result in highly unnatural samples, e.g., oversaturated images, due to both flow matching error and simulation error. To address this, we add a boundary constraint term to CNFs, which leads to reflected CNFs that keep trajectories within the constrained domains. We propose reflected flow matching (RFM) to train the velocity model in reflected CNFs by matching the conditional velocity fields in a simulation-free manner, similar to the vanilla FM. Moreover, the analytical form of conditional velocity fields in RFM avoids potentially biased approximations, making it superior to existing score-based generative models on constrained domains. We demonstrate that RFM achieves comparable or better results on standard image benchmarks and produces high-quality class-conditioned samples under high guidance weight.

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.

In inhomogeneous turbulence, local interscale energy transfer is commonly diagnosed in Large Eddy Simulation (LES) using the subgrid-scale (SGS) production Π^{SGS}=-τ_{ij}S_{ij}, although its physical meaning is unclear near boundaries. An exact gauge identity is derived showing that Π^{SGS}=Π^{inc}+nabla!cdot!J, where Π^{inc} is a kernel-integrated increment-based transfer consistent with Kármán--Howarth--Monin--Hill formulations and J is a spatial transport current. The identity is verified using the exact Womersley solution and evaluated with DNS of turbulent channel flow. It is found that near walls nabla!cdot!J can dominate Π^{SGS}, implying that SGS production is not a unique proxy for local cascade in inhomogeneous LES diagnostics.

Flow maps enable high-quality image generation in a single forward pass. However, unlike iterative diffusion models, their lack of an explicit sampling trajectory impedes incorporating external constraints for conditional generation and solving inverse problems. We put forth Variational Flow Maps, a framework for conditional sampling that shifts the perspective of conditioning from "guiding a sampling path", to that of "learning the proper initial noise". Specifically, given an observation, we seek to learn a noise adapter model that outputs a noise distribution, so that after mapping to the data space via flow map, the samples respect the observation and data prior. To this end, we develop a principled variational objective that jointly trains the noise adapter and the flow map, improving noise-data alignment, such that sampling from complex data posterior is achieved with a simple adapter. Experiments on various inverse problems show that VFMs produce well-calibrated conditional samples in a single (or few) steps. For ImageNet, VFM attains competitive fidelity while accelerating the sampling by orders of magnitude compared to alternative iterative diffusion/flow models. Code is available at https://github.com/abbasmammadov/VFM

Simulations of turbulent flows in 3D are one of the most expensive simulations in computational fluid dynamics (CFD). Many works have been written on surrogate models to replace numerical solvers for fluid flows with faster, learned, autoregressive models. However, the intricacies of turbulence in three dimensions necessitate training these models with very small time steps, while generating realistic flow states requires either long roll-outs with many steps and significant error accumulation or starting from a known, realistic flow state - something we aimed to avoid in the first place. Instead, we propose to approach turbulent flow simulation as a generative task directly learning the manifold of all possible turbulent flow states without relying on any initial flow state. For our experiments, we introduce a challenging 3D turbulence dataset of high-resolution flows and detailed vortex structures caused by various objects and derive two novel sample evaluation metrics for turbulent flows. On this dataset, we show that our generative model captures the distribution of turbulent flows caused by unseen objects and generates high-quality, realistic samples amenable for downstream applications without access to any initial state.

Rectified flow models have become a de facto standard in image generation due to their stable sampling trajectories and high-fidelity outputs. Despite their strong generative capabilities, they face critical limitations in image editing tasks: inaccurate inversion processes for mapping real images back into the latent space, and gradient entanglement issues during editing often result in outputs that do not faithfully reflect the target prompt. Recent efforts have attempted to directly map source and target distributions via ODE-based approaches without inversion; however,these methods still yield suboptimal editing quality. In this work, we propose a flow decomposition-and-aggregation framework built upon an inversion-free formulation to address these limitations. Specifically, we semantically decompose the target prompt into multiple sub-prompts, compute an independent flow for each, and aggregate them to form a unified editing trajectory. While we empirically observe that decomposing the original flow enhances diversity in the target space, generating semantically aligned outputs still requires consistent guidance toward the full target prompt. To this end, we design a projection and soft-aggregation mechanism for flow, inspired by gradient conflict resolution in multi-task learning. This approach adaptively weights the sub-target velocity fields, suppressing semantic redundancy while emphasizing distinct directions, thereby preserving both diversity and consistency in the final edited output. Experimental results demonstrate that our method outperforms existing zero-shot editing approaches in terms of semantic fidelity and attribute disentanglement. The code is available at https://github.com/Harvard-AI-and-Robotics-Lab/SplitFlow.

Capillary-driven transport offers a simple, self-sustained alternative to externally pumped microfluidic systems, yet achieving precise control of such flows remains challenging. We experimentally and theoretically investigate capillary flow in rectangular microchannels when a liquid meniscus encounters a geometric step with varying channel width and height. Depending on the contact angle and step dimensions, the meniscus either pins or advances, defining distinct flow and no-flow regimes. Introducing a lateral offset between channel sidewalls provides an additional geometric control that enables reversible switching from a pinned to a flowing state, even for liquids with relatively high contact angles. We rationalize these transitions using numerical simulations and an energy-based scaling model that captures the balance between surface tension and Laplace pressure at the step. Finally, we demonstrate synchronization of capillary fronts in parallel microchannels by combining stepped and offset geometries. These results establish a simple, geometry-mediated mechanism for passive control and synchronization of capillary flows, expanding the design space for microfluidic systems.

Graph Neural Networks (GNNs) had been demonstrated to be inherently susceptible to the problems of over-smoothing and over-squashing. These issues prohibit the ability of GNNs to model complex graph interactions by limiting their effectiveness in taking into account distant information. Our study reveals the key connection between the local graph geometry and the occurrence of both of these issues, thereby providing a unified framework for studying them at a local scale using the Ollivier-Ricci curvature. Specifically, we demonstrate that over-smoothing is linked to positive graph curvature while over-squashing is linked to negative graph curvature. Based on our theory, we propose the Batch Ollivier-Ricci Flow, a novel rewiring algorithm capable of simultaneously addressing both over-smoothing and over-squashing.

We address effects of spin-orbit coupling (SOC), phenomenologically added to a two-component Bose-Einstein condensate composed of particles moving by Levy flights, in one- and two-dimensional (1D and 2D) settings. The corresponding system of coupled Gross-Pitaevskii equations includes fractional kinetic-energy operators, characterized by the Levy index, \alpha < 2 (the normal kinetic energy corresponds to \alpha = 2). The SOC terms, with strength \lambda, produce strong effects in the 2D case: they create families of stable solitons of the semi-vortex (SV) and mixed-mode (MM) types in the interval of 1 < \alpha < 2, where the supercritical collapse does not admit the existence of stable solitons in the absence of the SOC. At \lambda --> 0, amplitudes of these solitons vanish as (\lambda)^{1/(\alpha - 1)}.

We present an open-source Python library for simulating two-dimensional incompressible Kelvin-Helmholtz instabilities in stratified shear flows. The solver employs a fractional-step projection method with spectral Poisson solution via Fast Sine Transform, achieving second-order spatial accuracy. Implementation leverages NumPy, SciPy, and Numba JIT compilation for efficient computation. Four canonical test cases explore Reynolds numbers 1000--5000 and Richardson numbers 0.1--0.3: classical shear layer, double shear configuration, rotating flow, and forced turbulence. Statistical analysis using Shannon entropy and complexity indices reveals that double shear layers achieve 2.8times higher mixing rates than forced turbulence despite lower Reynolds numbers. The solver runs efficiently on standard desktop hardware, with 384times192 grid simulations completing in approximately 31 minutes. Results demonstrate that mixing efficiency depends on instability generation pathways rather than intensity measures alone, challenging Richardson number-based parameterizations and suggesting refinements for subgrid-scale representation in climate models.

Rectified Flow offers a simple and effective approach to high-quality generative modeling by learning a velocity field. However, we identify a limitation in directly modeling the velocity with an unconstrained neural network: the learned velocity often fails to satisfy certain boundary conditions, leading to inaccurate velocity field estimations that deviate from the desired ODE. This issue is particularly critical during stochastic sampling at inference, as the score function's errors are amplified near the boundary. To mitigate this, we propose a Boundary-enforced Rectified Flow Model (Boundary RF Model), in which we enforce boundary conditions with a minimal code modification. Boundary RF Model improves performance over vanilla RF model, demonstrating 8.01% improvement in FID score on ImageNet using ODE sampling and 8.98% improvement using SDE sampling.

We introduce rd-spiral, an open-source Python library for simulating 2D reaction-diffusion systems using pseudo-spectral methods. The framework combines FFT-based spatial discretization with adaptive Dormand-Prince time integration, achieving exponential convergence while maintaining pedagogical clarity. We analyze three dynamical regimes: stable spirals, spatiotemporal chaos, and pattern decay, revealing extreme non-Gaussian statistics (kurtosis >96) in stable states. Information-theoretic metrics show 10.7% reduction in activator-inhibitor coupling during turbulence versus 6.5% in stable regimes. The solver handles stiffness ratios >6:1 with features including automated equilibrium classification and checkpointing. Effect sizes (delta=0.37--0.78) distinguish regimes, with asymmetric field sensitivities to perturbations. By balancing computational rigor with educational transparency, rd-spiral bridges theoretical and practical nonlinear dynamics.

The Entropic Optimal Transport (EOT) problem and its dynamic counterpart, the Schrödinger bridge (SB) problem, play an important role in modern machine learning, linking generative modeling with optimal transport theory. While recent advances in discrete diffusion and flow models have sparked growing interest in applying SB methods to discrete domains, there is still no reliable way to evaluate how well these methods actually solve the underlying problem. We address this challenge by introducing a benchmark for SB on discrete spaces. Our construction yields pairs of probability distributions with analytically known SB solutions, enabling rigorous evaluation. As a byproduct of building this benchmark, we obtain two new SB algorithms, DLightSB and DLightSB-M, and additionally extend prior related work to construct the α-CSBM algorithm. We demonstrate the utility of our benchmark by evaluating both existing and new solvers in high-dimensional discrete settings. This work provides the first step toward proper evaluation of SB methods on discrete spaces, paving the way for more reproducible future studies.

We utilize generalized moving least squares (GMLS) to develop meshfree techniques for discretizing hydrodynamic flow problems on manifolds. We use exterior calculus to formulate incompressible hydrodynamic equations in the Stokesian regime and handle the divergence-free constraints via a generalized vector potential. This provides less coordinate-centric descriptions and enables the development of efficient numerical methods and splitting schemes for the fourth-order governing equations in terms of a system of second-order elliptic operators. Using a Hodge decomposition, we develop methods for manifolds having spherical topology. We show the methods exhibit high-order convergence rates for solving hydrodynamic flows on curved surfaces. The methods also provide general high-order approximations for the metric, curvature, and other geometric quantities of the manifold and associated exterior calculus operators. The approaches also can be utilized to develop high-order solvers for other scalar-valued and vector-valued problems on manifolds.

Diffusion models have greatly improved visual generation but are hindered by slow generation speed due to the computationally intensive nature of solving generative ODEs. Rectified flow, a widely recognized solution, improves generation speed by straightening the ODE path. Its key components include: 1) using the diffusion form of flow-matching, 2) employing boldsymbol v-prediction, and 3) performing rectification (a.k.a. reflow). In this paper, we argue that the success of rectification primarily lies in using a pretrained diffusion model to obtain matched pairs of noise and samples, followed by retraining with these matched noise-sample pairs. Based on this, components 1) and 2) are unnecessary. Furthermore, we highlight that straightness is not an essential training target for rectification; rather, it is a specific case of flow-matching models. The more critical training target is to achieve a first-order approximate ODE path, which is inherently curved for models like DDPM and Sub-VP. Building on this insight, we propose Rectified Diffusion, which generalizes the design space and application scope of rectification to encompass the broader category of diffusion models, rather than being restricted to flow-matching models. We validate our method on Stable Diffusion v1-5 and Stable Diffusion XL. Our method not only greatly simplifies the training procedure of rectified flow-based previous works (e.g., InstaFlow) but also achieves superior performance with even lower training cost. Our code is available at https://github.com/G-U-N/Rectified-Diffusion.

Conventional diffusion models typically relies on a fixed forward process, which implicitly defines complex marginal distributions over latent variables. This can often complicate the reverse process' task in learning generative trajectories, and results in costly inference for diffusion models. To address these limitations, we introduce Neural Flow Diffusion Models (NFDM), a novel framework that enhances diffusion models by supporting a broader range of forward processes beyond the fixed linear Gaussian. We also propose a novel parameterization technique for learning the forward process. Our framework provides an end-to-end, simulation-free optimization objective, effectively minimizing a variational upper bound on the negative log-likelihood. Experimental results demonstrate NFDM's strong performance, evidenced by state-of-the-art likelihood estimation. Furthermore, we investigate NFDM's capacity for learning generative dynamics with specific characteristics, such as deterministic straight lines trajectories. This exploration underscores NFDM's versatility and its potential for a wide range of applications.

Existing generative models for 3D shapes can synthesize high-fidelity and visually plausible shapes. For certain classes of shapes that have undergone an engineering design process, the realism of the shape is tightly coupled with the underlying physical properties, e.g., aerodynamic efficiency for automobiles. Since existing methods lack knowledge of such physics, they are unable to use this knowledge to enhance the realism of shape generation. Motivated by this, we propose a unified physics-based 3D shape generation pipeline, with a focus on industrial design applications. Specifically, we introduce a new flow matching model with explicit physical guidance, consisting of an alternating update process. We iteratively perform a velocity-based update and a physics-based refinement, progressively adjusting the latent code to align with the desired 3D shapes and physical properties. We further strengthen physical validity by incorporating a physics-aware regularization term into the velocity-based update step. To support such physics-guided updates, we build a shape-and-physics variational autoencoder (SP-VAE) that jointly encodes shape and physics information into a unified latent space. The experiments on three benchmarks show that this synergistic formulation improves shape realism beyond mere visual plausibility.

We establish a fundamental connection between score-based diffusion models and non-equilibrium thermodynamics by deriving performance limits based on entropy rates. Our main theoretical contribution is a lower bound on the negative log-likelihood of the data that relates model performance to entropy rates of diffusion processes. We numerically validate this bound on a synthetic dataset and investigate its tightness. By building a bridge to entropy rates - system, intrinsic, and exchange entropy - we provide new insights into the thermodynamic operation of these models, drawing parallels to Maxwell's demon and implications for thermodynamic computing hardware. Our framework connects generative modeling performance to fundamental physical principles through stochastic thermodynamics.

Transport maps can ease the sampling of distributions with non-trivial geometries by transforming them into distributions that are easier to handle. The potential of this approach has risen with the development of Normalizing Flows (NF) which are maps parameterized with deep neural networks trained to push a reference distribution towards a target. NF-enhanced samplers recently proposed blend (Markov chain) Monte Carlo methods with either (i) proposal draws from the flow or (ii) a flow-based reparametrization. In both cases, the quality of the learned transport conditions performance. The present work clarifies for the first time the relative strengths and weaknesses of these two approaches. Our study concludes that multimodal targets can be reliably handled with flow-based proposals up to moderately high dimensions. In contrast, methods relying on reparametrization struggle with multimodality but are more robust otherwise in high-dimensional settings and under poor training. To further illustrate the influence of target-proposal adequacy, we also derive a new quantitative bound for the mixing time of the Independent Metropolis-Hastings sampler.

In this work, we introduce Modulated Flows (ModFlows), a novel approach for color transfer between images based on rectified flows. The primary goal of the color transfer is to adjust the colors of a target image to match the color distribution of a reference image. Our technique is based on optimal transport and executes color transfer as an invertible transformation within the RGB color space. The ModFlows utilizes the bijective property of flows, enabling us to introduce a common intermediate color distribution and build a dataset of rectified flows. We train an encoder on this dataset to predict the weights of a rectified model for new images. After training on a set of optimal transport plans, our approach can generate plans for new pairs of distributions without additional fine-tuning. We additionally show that the trained encoder provides an image embedding, associated only with its color style. The presented method is capable of processing 4K images and achieves the state-of-the-art performance in terms of content and style similarity. Our source code is available at https://github.com/maria-larchenko/modflows

In this paper we consider a particular class of solutions of the Rayleigh-Boltzmann equation, known in the nonlinear setting as homoenergetic solutions, which have the form gleft( x,v,t right) =fleft( v-Lleft( tright)x,tright) where the matrix L(t) describes a shear flow deformation. We began this analysis in [22] where we rigorously proved the existence of a stationary non-equilibrium solution and established the different behaviour of the solutions for small and large values of the shear parameter, for cut-off collision kernels with homogeneity parameter 0leq gamma <1, including Maxwell molecules and hard potentials. In this paper, we concentrate in the case where the deformation term dominates the collision term for large times (hyperbolic-dominated regime). This occurs for collision kernels with gamma < 0 and in particular we focus on gamma in (-1,0). In such a hyperbolic-dominated regime, it appears challenging to provide a clear description of the long-term asymptotics of the solutions. Here we present a formal analysis of the long-time asymptotics for the distribution of velocities and provide the explicit form for the asymptotic profile. Additionally, we discuss the different asymptotic behaviour expected in the case of homogeneity gamma < -1. Furthermore, we provide a probabilistic interpretation describing a stochastic process consisting in a combination of collisions and shear flows. The tagged particle velocity {v(t)}_{tgeq 0} is a Markov process that arises from the combination of free flights in a shear flow along with random jumps caused by collisions.

Flow matching has emerged as a powerful generative modeling approach with flexible choices of source distribution. While Gaussian distributions are commonly used, the potential for better alternatives in high-dimensional data generation remains largely unexplored. In this paper, we propose a novel 2D simulation that captures high-dimensional geometric properties in an interpretable 2D setting, enabling us to analyze the learning dynamics of flow matching during training. Based on this analysis, we derive several key insights about flow matching behavior: (1) density approximation can paradoxically degrade performance due to mode discrepancy, (2) directional alignment suffers from path entanglement when overly concentrated, (3) Gaussian's omnidirectional coverage ensures robust learning, and (4) norm misalignment incurs substantial learning costs. Building on these insights, we propose a practical framework that combines norm-aligned training with directionally-pruned sampling. This approach maintains the robust omnidirectional supervision essential for stable flow learning, while eliminating initializations in data-sparse regions during inference. Importantly, our pruning strategy can be applied to any flow matching model trained with a Gaussian source, providing immediate performance gains without the need for retraining. Empirical evaluations demonstrate consistent improvements in both generation quality and sampling efficiency. Our findings provide practical insights and guidelines for source distribution design and introduce a readily applicable technique for improving existing flow matching models. Our code is available at https://github.com/kwanseokk/SourceFM.

Accurately predicting the future fluid is important to extensive areas, such as meteorology, oceanology and aerodynamics. However, since the fluid is usually observed from an Eulerian perspective, its active and intricate dynamics are seriously obscured and confounded in static grids, bringing horny challenges to the prediction. This paper introduces a new Lagrangian-guided paradigm to tackle the tanglesome fluid dynamics. Instead of solely predicting the future based on Eulerian observations, we propose the Eulerian-Lagrangian Dual Recurrent Network (EuLagNet), which captures multiscale fluid dynamics by tracking movements of adaptively sampled key particles on multiple scales and integrating dynamics information over time. Concretely, a EuLag Block is presented to communicate the learned Eulerian and Lagrangian features at each moment and scale, where the motion of tracked particles is inferred from Eulerian observations and their accumulated dynamics information is incorporated into Eulerian fields to guide future prediction. Tracking key particles not only provides a clear and interpretable clue for fluid dynamics but also makes our model free from modeling complex correlations among massive grids for better efficiency. Experimentally, EuLagNet excels in three challenging fluid prediction tasks, covering both 2D and 3D, simulated and real-world fluids.

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic processes to model approximate samples from these target densities. The main drawback of these approaches is that the training objective requires full trajectories to compute, resulting in sluggish credit assignment issues due to use of entire trajectories and a learning signal present only at the terminal time. In this work, we present Diffusion Generative Flow Samplers (DGFS), a sampling-based framework where the learning process can be tractably broken down into short partial trajectory segments, via parameterizing an additional "flow function". Our method takes inspiration from the theory developed for generative flow networks (GFlowNets), allowing us to make use of intermediate learning signals. Through various challenging experiments, we demonstrate that DGFS achieves more accurate estimates of the normalization constant than closely-related prior methods.

Flow-based latent generative models such as Stable Diffusion 3 are able to generate images with remarkable quality, even enabling photorealistic text-to-image generation. Their impressive performance suggests that these models should also constitute powerful priors for inverse imaging problems, but that approach has not yet led to comparable fidelity. There are several key obstacles: (i) the encoding into a lower-dimensional latent space makes the underlying (forward) mapping non-linear; (ii) the data likelihood term is usually intractable; and (iii) learned generative models struggle to recover rare, atypical data modes during inference. We present FLAIR, a novel training free variational framework that leverages flow-based generative models as a prior for inverse problems. To that end, we introduce a variational objective for flow matching that is agnostic to the type of degradation, and combine it with deterministic trajectory adjustments to recover atypical modes. To enforce exact consistency with the observed data, we decouple the optimization of the data fidelity and regularization terms. Moreover, we introduce a time-dependent calibration scheme in which the strength of the regularization is modulated according to off-line accuracy estimates. Results on standard imaging benchmarks demonstrate that FLAIR consistently outperforms existing diffusion- and flow-based methods in terms of reconstruction quality and sample diversity.

Flow-based generative models have been employed for sampling the Boltzmann distribution, but their application to high-dimensional systems is hindered by the significant computational cost of obtaining the Jacobian of the flow. To overcome this challenge, we introduce the flow perturbation method, which incorporates optimized stochastic perturbations into the flow. By reweighting trajectories generated by the perturbed flow, our method achieves unbiased sampling of the Boltzmann distribution with orders of magnitude speedup compared to both brute force Jacobian calculations and the Hutchinson estimator. Notably, it accurately sampled the Chignolin protein with all atomic Cartesian coordinates explicitly represented, which, to our best knowledge, is the largest molecule ever Boltzmann sampled in such detail using generative models.

Detector simulations are an exciting application of modern generative networks. Their sparse high-dimensional data combined with the required precision poses a serious challenge. We show how combining Conditional Flow Matching with transformer elements allows us to simulate the detector phase space reliably. Namely, we use an autoregressive transformer to simulate the energy of each layer, and a vision transformer for the high-dimensional voxel distributions. We show how dimension reduction via latent diffusion allows us to train more efficiently and how diffusion networks can be evaluated faster with bespoke solvers. We showcase our framework, CaloDREAM, on datasets 2 and 3 of the CaloChallenge.

Gravitational lensing is one of the most powerful probes of dark matter, yet creating high-fidelity lensed images at scale remains a bottleneck. Existing tools rely on ray-tracing or forward-modeling pipelines that, while precise, are prohibitively slow. We introduce FlowLensing, a Diffusion Transformer-based compact and efficient flow-matching model for strong gravitational lensing simulation. FlowLensing operates in both discrete and continuous regimes, handling classes such as different dark matter models as well as continuous model parameters ensuring physical consistency. By enabling scalable simulations, our model can advance dark matter studies, specifically for probing dark matter substructure in cosmological surveys. We find that our model achieves a speedup of over 200times compared to classical simulators for intensive dark matter models, with high fidelity and low inference latency. FlowLensing enables rapid, scalable, and physically consistent image synthesis, offering a practical alternative to traditional forward-modeling pipelines.

We propose a principled and effective framework for one-step generative modeling. We introduce the notion of average velocity to characterize flow fields, in contrast to instantaneous velocity modeled by Flow Matching methods. A well-defined identity between average and instantaneous velocities is derived and used to guide neural network training. Our method, termed the MeanFlow model, is self-contained and requires no pre-training, distillation, or curriculum learning. MeanFlow demonstrates strong empirical performance: it achieves an FID of 3.43 with a single function evaluation (1-NFE) on ImageNet 256x256 trained from scratch, significantly outperforming previous state-of-the-art one-step diffusion/flow models. Our study substantially narrows the gap between one-step diffusion/flow models and their multi-step predecessors, and we hope it will motivate future research to revisit the foundations of these powerful models.