Conditional Flow Matching

De novo protein generation has transformative potential in therapeutic design, enzyme engineering, and synthetic biology. While diffusion-based and flow matching approaches have achieved progress, they typically operate at single resolution and lack mechanisms for incorporating functional constraints. We introduce ProHiFlo, a hierarchical flow matching framework with three innovations: (1) coarse-to-fine generation that models backbone geometry before refining to all-atom coordinates, reducing computational cost while maintaining accuracy; (2) functional guidance leveraging pretrained predictors to steer generation toward desired properties without retraining; (3) adaptive SE(3)-equivariant architecture for efficient multi-scale processing. Experiments on unconditional generation, motif scaffolding, and functional design demonstrate state-ofthe-art performance while requiring 4 fewer sampling steps. On enzyme active site scaffolding, ProHiFlo achieves 58.9% success rate compared to 41.2% for RFDiffusion.

Flow matching models learn to transport samples from a simple prior distribution to a complex data distribution. When prior-data pairs are coupled via optimal transport (OT), the learned trajectories are straight and non-crossing, enabling fast, even single-step, generation. However, computing the OT coupling in high dimensions is intractable, and existing methods attempt to solve the OT problem, at the cost of persistent bias or significant overhead. Rather than solving for the OT coupling, we reformulate the problem. Once the prior is treated as a design choice rather than a fixed input, the OT coupling between prior and data is no longer unique. Many priors admit an OT-optimal identity coupling to the data, leaving us free to choose one that is also tractable to sample. We identify low-frequency projection of natural images as such a choice. The identity coupling between data and its low-frequency representation is empirically OT-optimal, the prior is structured enough to be sampled by a lightweight model at inference, and the remaining flow-matching task reduces to synthesizing high-frequency detail. Interpolating the prior with Gaussian noise further improves generation quality while preserving the OT coupling. The approach requires no modifications to the flow model itself, and integrates naturally with latent-space models, classifier-free guidance, and one-step generation frameworks. Across all benchmarks, our method reduces trajectory curvature by more than $2\times$ compared to existing flow matching methods, yielding better generation quality in the few-step regime.

Modern generative models possess a deep understanding of visual content, yet training them for image editing typically requires massive datasets of paired examples. This limits scalability, especially for video editing where collecting paired data is prohibitively expensive. We propose Bootstrap Your Generator (ByG), a general framework for unpaired training of flow matching editing models. It leverages the base model's knowledge without any external signal. Our approach pairs instruction-following cues extracted from the frozen model with cycle-consistency for structure preservation. To make this tractable, we propose to route gradients from downstream losses over clean predictions to noisy training states. We demonstrate state-of-the-art results on challenging data-scarce image and video editing scenarios. Extensive evaluations and user studies show that our method effectively generalizes to unseen domains and outperforms supervised baselines trained on millions of samples. Analysis reveals that our gradient routing bridges the train-inference gap, and extracting semantic cues from a base model provides a robust training signal that obviates the need for external reward models.

Flow matching has recently emerged as a powerful approach for imitation learning, enabling scalable, expressive, and multimodal motion policies. However, when modeling these policies as dynamical systems, incorporating formal stability guarantees into these generative models is a prerequisite to ensure safe and generalizable robot behaviors, which remains a significant challenge. This paper introduces Stable Flow Matching Dynamical Systems (SFMDS), a novel framework that bridges the gap between highly expressive generative modeling and formal stability guarantees. SFMDS parametrizes dynamical systems via flow matching while constraining the model to satisfy positive invariance and/or Lyapunov stability conditions. We propose two variants: a soft constraint based on a penalty term, and a hard structural constraint embedded directly into the model architecture. We further extend both formulations to Lie groups to robustly handle orientation trajectories. Experiments on benchmark datasets, in simulation, and on a humanoid robot show that SFMDS learns stable, scalable, and multimodal dynamical systems in low- and high-dimensional state spaces, enabling safe and expressive robot motion generation. SFMDS matches or outperforms state-of-the-art methods on unimodal datasets, while substantially improving performance on multimodal datasets, where competing approaches fail to capture multi-modal behaviors. Accompanying source code and video are available at: https://let-the-dynamics-flow.github.io/SFMDS/.

Organic crystal structure prediction (CSP) is a requirement for computational modelling of organic solids, but traditionally costs several CPU-years per molecule. Generative models such as OXtal dramatically reduce this cost by sampling stable organic crystal structures directly. However, OXtal forgoes explicit lattice parametrization in favour of modelling large crops of the bulk material with expensive triangle layers, which can incur a computational cost of minutes per molecule. In this paper, we reduce this to seconds with Clari, a large-scale flow matching model that generates redundancy-free unit cells and replaces triangle layers with pure pair-bias attention. Clari requires only atom types and bonds as input and does not need an RDKit-sanitizable input molecule, which expands its applicability to challenging chemistries such as fullerenes, metal complexes, and atom clusters. We further ablate key design choices such as auxiliary losses, timestep distributions, noise priors, and self-conditioning. On OXtal's test sets, we surpass OXtal's solve rate while obtaining a speedup of $15$-$30\times$. Because Clari also models explicit hydrogens, it supports inference-time scaling via direct energy ranking, without any decoration or relaxation step. When generating 150 crystals and selecting the top-30 by energy, we further improve solve rate while maintaining a speedup of $5$-$8\times$. We also introduce the CSD Teaching Subset as a new test split of diverse and complex molecules for future benchmarking. Our contributions enable CSP within seconds, making large-scale virtual screening of organic solids practical. Code is available at https://github.com/aspuru-guzik-group/clari.

Surrogate models for topology optimization (TO) exhibit highly variable out-of-distribution (OOD) generalization under distribution shifts such as changing loads or boundary conditions, yet the source of this variability remains unclear. We hypothesize that OOD performance is governed by how much information the conditioning signal preserves about the adjoint sensitivity (reduced gradient) that drives classical TO. Modeling the TO pipeline as a causal Markov chain, the Data Processing Inequality establishes that, under this abstraction, the sensitivity field is an information-theoretically optimal conditioning signal for topology prediction. However, computing exact adjoint sensitivities can be expensive or unavailable in practice; we observe that certain physical fields can approximate sensitivities through monotone transformations. To formalize this, we introduce \textbf{pseudo-sensitivities} to characterize which fields enable generalization versus those that are information-poor. We then show that a sensitivity-conditioned Bernoulli flow-matching generator empirically confirms these predictions: conditioning on sensitivities yields state-of-the-art OOD performance, while increasingly distant physical fields degrade toward raw parameter conditioning. Results hold across structural TO benchmarks under load shifts and our new CFD-TO dataset under boundary-condition shifts such as multi-outlet configurations. Code and datasets are available at https://tum-pbs.github.io/topotransformer/ .

Post-training via Group Relative Policy Optimization (GRPO) has emerged as a powerful paradigm for aligning flow-based generative models with human preferences. However, the iterative denoising nature of flow models incurs substantial costs when generating group rollouts for policy-gradient updates, compelling existing methods to train with extremely few denoising steps. This temporal sparsity severely restricts preference optimization: reward feedback can only reach a handful of stages per trajectory, leaving the vast majority of intermediate denoising steps without direct supervision and thus compromising alignment granularity. To address this, we propose Pave-GRPO, which reformulates the GRPO objective through Principled average velocity decomposition. Rather than generating expensive high-step rollouts, we maintain efficient few-step group sampling but decompose each coarse transition into an equivalent ensemble of finer sub-trajectories spanning multiple intermediate timesteps. This propagates reward feedback to a denser set of temporal stages for more comprehensive preference alignment without additional generation cost. This design offers two benefits: (i) zero-cost horizon expansion: through the direct reuse of piece-wise group samples and their associated rewards, Pave-GRPO significantly broadens the effective optimization scope under fixed sampling budgets; and (ii) comprehensive temporal supervision: by equivalently decomposing an instantaneous velocity target into a multi-timestep ensemble, it distributes reward signals across more intermediate stages of the denoising process, enabling finer-grained and more thorough preference optimization. Extensive experiments validate that Pave-GRPO effectively advances preference alignment across different reward settings, offering comprehensive performance enhancement.

Watch time has emerged as a pivotal metric for optimizing deep user engagement in short-video recommender systems. However, current methods of watch time prediction (WTP) suffer from inherent paradigm-specific limitations. Direct Regression faces mean-collapse due to unimodal Gaussian assumptions, while Ordinal Regression is hampered by quantization errors from rigid discretization. Similarly, Discrete Generative Regression struggles with high inference latency and heuristic vocabulary design. Beyond these specific flaws, a shared deficiency is the inability to capture the intrinsic multimodality and heterogeneity of User-Item Interaction Patterns. To address these challenges, we first revisit the WTP problem from a causal perspective and identify these user-specific patterns as structural confounders that modulate watch time outcomes, where identical interests manifest as distinct watch time outcomes conditioned on diverse user habits. Then, we formally propose a new (or the fourth) paradigm -- Continuous Generative Regression, and introduce FlowTime, a novel method utilizing a One-step Generative Variational Autoencoder. FlowTime effectively circumvents the latency of iterative denoising while maintaining the expressivity of continuous latent spaces. Furthermore, we design a Flow-based Personalized Prior that leverages NFs to warp a standard Gaussian prior into a complex, history-conditioned manifold, thereby enabling the adaptive modeling of multimodal interaction patterns. Finally, we build TimeRec, the first open-source WTP Library, alongside a novel personalization metric to establish a rigorous benchmarking standard. Extensive offline experiments and online A/B tests demonstrate FlowTime's significant superiority over SOTA methods.

Generative action policies based on diffusion or flow matching excel in behavior cloning, yet their iterative sampling is prohibitive for high-frequency robot control. While recent one-step formulations alleviate this latency, they inevitably discard the intermediate trajectory evolution that provides crucial action correction. Directly recovering this mechanism by explicitly estimating a training-time drifting field is mathematically ill-posed due to extreme conditional demonstration sparsity. We introduce Implicit Drifting Policy (IDP), a one-step imitation learning framework that brings the training-time correction of Drifting into policy learning without explicit vector field estimation. IDP extracts a conditional expert geometry from the local variation of observation-similar expert actions, and compares it against a global reference geometry to isolate condition-specific constraints. This local geometric structure adaptively weights a scalar potential objective. Combined with an expert-proximal terminal evaluation, IDP directly enforces manifold constraints on the one-step generator during training. Extensive evaluations across 2D, 3D, and real-world manipulation tasks show IDP effectively maintains adherence to valid action manifolds, improving upon explicit drifting methods and achieving competitive performance with strong one-step baselines.

We propose a method combining Multi-Agent Deep Reinforcement Learning (MARL) and eXplainable Deep Learning (XDL) to reduce drag in wall-bounded turbulent flows. Taking as a baseline the results of training agents directly targeting wall-shear stress and opposition control, three SHAP-guided approaches are compared. In the first, the reward is computed from SHAP attributions of a U-net predicting the future velocity field; in the second, from SHAP attributions of a U-net predicting the skin-friction coefficient; in the third, from a combination of SHAP attributions of two U-nets predicting the skin-friction coefficient and the wall pressure fluctuations, respectively. The combined SHAP strategy based on skin-friction coefficient and wall-pressure fluctuations achieves the best overall performance, achieving a DR of 34.44% and a NES of 34.01% with only 0.43% normalized input power. Relative to opposition control, drag reduction and net energy saving increase by 49.41% and 48.52%, respectively. Compared with the direct wall-shear-stress baseline, the proposed strategy simultaneously improves performance while reducing the normalized actuation cost from 5.90% to 0.43%. Analysis of the results reveals that the energetically efficient policy is consistent with pressure-gated actuation, activating predominantly at near-zero wall pressure, and operates on a temporal timescale comparable to the lifetime of the near-wall turbulent structures.

Open-vocabulary object detection (OVD) has achieved remarkable progress through large-scale vision-language pre-training. Existing methods, however, typically formulate OVD as a discriminative prediction problem, where decoder queries are either static or initialized from encoder features, thus limiting their diversity and flexibility. In this paper, we introduce a generative perspective by modeling decoder query generation as a continuous transport process in latent space. We propose FlowOVD, a text-conditioned query generation framework based on rectified flow that progressively transforms text-agnostic queries into text-guided queries. By introducing continuous latent query dynamics into a vision-language model (VLM) based detector, our method avoids heuristic discrete query construction and enables more expressive semantic alignment for open-vocabulary detection. Without requiring additional training data, FlowOVD achieves 49.5 AP on COCO and 31.5 AP on LVIS, outperforming GroundingDINO by +1.2 AP (+2.5 %) and +4.1 AP (+15.0 %), respectively. The larger gain on the challenging long-tailed LVIS benchmark further highlights the effectiveness of continuous query generation for open-vocabulary generalization.

Generative machine learning is an increasingly important complement to dynamical downscaling for producing high-resolution precipitation projections, with diffusion models currently the leading approach. Flow matching is a related generative framework that has recently achieved strong results across image, video and other domains, and shown early promise for downscaling. We train a flow matching model to map daily precipitation from 8 km to 2 km over a convective-scale domain centred on Singapore, and benchmark it against CPMGEM, a score-based diffusion model. Flow matching achieves consistently better spatial skill: higher fractions skill score at every precipitation threshold and neighbourhood scale tested, and tighter structure and amplitude components of the SAL score with comparable location skill. However, flow matching underestimates the upper tail of the precipitation distribution, resulting in a dry bias in the climatological mean. These results suggest that flow matching is a competitive generative framework for convective-scale precipitation downscaling, particularly well suited to capturing spatial structure.

Vector Symbolic Algebras (VSAs) enable robust neurosymbolic reasoning by encoding symbolic information into high-dimensional distributed representations. For continuous domains, Spatial Semantic Pointers (SSPs) extend this framework by mapping variables onto continuous toroidal manifolds. However, standard approaches like Flow Matching assume a flat Euclidean geometry, which fails to account for the geometric constraints imposed on valid SSP states. We demonstrate that this assumption fails for SSPs: Euclidean linear interpolants ``cut through" the manifold's interior, destroying the phase and magnitude structure required for accurate decoding. To resolve this, we employ Geodesic Flow Matching, adapting Riemannian transport dynamics to strictly restrict the denoising flow to the SSP toroidal manifold. We validate this approach in a Spiking Neural SLAM system, showing that manifold-aware cleanup stabilizes path integration against drift. The method achieves a 72% reduction in tracking error and enables a 40% increase in neural efficiency compared to competitive baselines. Code is available at https://github.com/kremHabashy/CleanupSSP .

Reconstructing the complete geometry of a scene from a single RGB image remains challenging - especially when inferring hidden structures where visual evidence is incomplete. We introduce VolFill, a generative framework that predicts the 3D structure of the complete scene rather than relying on traditional pixel-aligned regression. Our method utilizes a hybrid 3D VAE to compress sparse truncated unsigned distance function grids into a compact latent space, paired with a latent Diffusion Transformer that denoises this representation to recover the complete scene. We condition the generation on geometry foundation models, leveraging rich spatial priors for robust reasoning. Unlike existing methods limited by per-ray constraints or unstructured point-cloud queries, VolFill provides a structured representation that supports direct surface extraction and occupancy queries at scale. Extensive experiments on the SCRREAM and NRGB-D datasets demonstrate that our approach significantly outperforms current baselines, providing a robust foundation for holistic spatial understanding.

Inference-time reward alignment steers pretrained diffusion and flow-based generative models to satisfy user-specified rewards without retraining. Recently, Sequential Monte Carlo (SMC) has emerged as a powerful framework for this task by iteratively filtering and propagating multiple particles. However, we show that standard SMC-based methods often suffer from poor performance because they initialize particles from a standard prior, whereas high-reward regions in complex reward landscapes are extremely rare. Further, we show that even recent reward-aware initial sampling approaches remain vulnerable to getting trapped in local modes, as complex reward landscapes are often multi-modal. To overcome these limitations, we propose PATHS (PArallel Tempering for High-complexity reward Sampling), a novel initialization method that couples multiple sampling chains through parallel tempering. PATHS maintains a ladder of reward-tempered chains and periodically performs Metropolis swaps, enabling efficient exploration across flattened reward landscapes, thereby mitigating the mode-trapping issues. Our analysis reveals that this mechanism substantially enhances the finite-budget exploration of rare, high-reward regions that are typically challenging to sample. Experiments on layout-to-image and quantity-aware generation show that PATHS achieves consistent gains in alignment quality, particularly on complex prompts.

Geometry-aware generative models and novel view synthesis approaches have shown strong potential in visual fidelity and consistency. In parallel, equivariant representation learning has emerged as a powerful framework for constructing latent spaces where analytically known group transformations could act directly, capturing geometric structure in data and enhancing both interpretability and generalization in novel view synthesis. However, we identify that existing approaches often suffer from latent misalignment, a discrepancy between the intended group action and the actually required transformations in the latent space. Consequently, the learned latents often fail to consistently preserve the equivariant relations imposed by the underlying group symmetry. To address this, we propose Residual Latent Flow, a flow-based framework that corrects the misaligned latents, thereby improving compliance with the underlying equivariance relation. Our comprehensive experiments show that our method significantly reduces latent misalignment and improves novel view synthesis quality, under rotation groups SO(n).

While the rapid adoption of multimodal generative models offers immense potential, it has also increased the risks of harmful content synthesis, deepfakes, and copyright infringements. To address these challenges, concept erasure has emerged as a prospective safeguard. However, as the field gradually transitions from U-Net-based diffusion models to Rectified Flow Transformers, erasure research has struggled to keep pace. In this work, we introduce GEM, a simple but highly effective erasure framework for Rectified Flow models. As part of our contribution, we establish a principled bridge between trajectory-based unlearning grounded in Generative Flow Networks and classic teacher-guided erasure: we translate trajectory-based signals into a teacher-guided flow-matching setup that unifies the strengths of both paradigms. Concretely, a teacher provides complementary attraction and repulsion signals that we combine into a single geometric guidance objective, yielding targeted suppression of unwanted concepts while preserving benign generation.

Adapting generative foundation models, in particular diffusion and flow models, to optimize given reward functions (e.g., binding affinity) while satisfying constraints (e.g., molecular synthesizability) is fundamental for their adoption in real-world scientific discovery applications such as molecular design or protein engineering. While recent works have introduced scalable methods for reward-guided fine-tuning of such models via reinforcement learning and control schemes, it remains an open problem how to algorithmically trade-off reward maximization and constraint satisfaction in a reliable and predictable manner. Motivated by this challenge, we first present a rigorous framework for Constrained Generative Optimization, which brings an optimization viewpoint to the introduced adaptation problem and retrieves the relevant task of constrained generation as a sub-case. Then, we introduce Constrained Flow Optimization (CFO), an algorithm that automatically and provably balances reward maximization and constraint satisfaction by reducing the original problem to sequential fine-tuning via established, scalable methods. We provide convergence guarantees for constrained generative optimization and constrained generation via CFO. Ultimately, we present an experimental evaluation of CFO on both synthetic, yet illustrative, settings, and a molecular design task. Across these evaluations, CFO achieves consistent increases in reward while ensuring high constraint satisfaction, showcasing its practical utility for constrained generative optimization.

Critical networking workflows require high-fidelity packet captures (PCAPs) for testing, security analysis, and protocol validation, not just statistical flow-level summaries. Recent packet generators have demonstrated protocol-constrained PCAP synthesis, but they universally decode directly to raw packet fields. That interface entangles learned behavioral choices with deterministic protocol consequences, which forces packet realization to depend on post-hoc heuristic repair. We identify this decode interface as the fundamental bottleneck and present TraceCodec, a state-aware neural codec for stateful multi-flow traces. TraceCodec lifts each packet into a timed packet action with explicit flow slots and transport cues, then learns a continuous per-packet latent. A deterministic compiler lowers decoded actions back to PCAPs, owning endpoint assignment, TCP state, legality constraints, and packet rendering. The latent layer exposes a generator-facing sequence space, so downstream traffic models can operate on packet-action latents rather than raw header fields. On CICIDS2017 Monday, TraceCodec matches packet count, protocol composition, and flow population to within 0.03%. Raw-field baselines under the same non-repair policy distort flow counts and TCP state by orders of magnitude. Structural diagnostics show that TraceCodec preserves TCP state transitions and multi-flow interleaving that raw-field decoders fragment. This work establishes a new foundation for high-fidelity packet-trace generation.

Score-based and flow-based generative models exhibit remarkable expressive capacity in capturing complex distributions, and have been extensively deployed in tasks ranging from image generation to reinforcement learning. Nevertheless, these models suffer from prolonged inference latency, which imposes a significant computational bottleneck in RL with iterative sampling. To overcome this limitation, we propose a new framework named Moment Matching Q-Learning (MoMa QL), which utilizes a technique from statistical hypothesis testing known as maximum mean discrepancy (MMD) that intend to match all orders of statistics between the original and target distribution. By enforcing strong regularization on all moment statistics, this algorithm guarantees distribution-level convergence for conditional score function and remains stable under various hyperparameters. Empirically, we show that our method MoMa QL is more computationally efficient with a comparable if not competitive performance in various D4RL tasks. Remarkably, by accelerating the action sampling process for flow-based policies, MoMa QL demonstrates superior performance in offline-to-online RL tasks because of faster and stronger adaptability for online interactive finetuning.

Generative modeling provides a powerful framework for learning data distributions. These models initially relied on probabilistic methods such as Gaussian Processes (GP) for uncertainty-aware predictions and shifted towards larger trainable models to learn more complex distributions. In this work, we introduce Random Process (RP) Flow, a Flow Matching-based framework that represents the vector field as a neural implicit function. Unlike modern generative methods, our setting involves a single observed field, from which only sparse measurements are available. RP Flow uses Random Fourier Features to learn an implicit signal representation that can be queried at any arbitrary location from a limited set of observations, while encoding uncertainty through ensemble sampling. We propose constructing a Bayesian posterior by GP regression in the source space to generate high-quality samples. Our empirical results demonstrate that this framework generates realistic samples along with calibrated uncertainty estimates, even under challenging conditions such as high frequency, high sparsity, or high dimensionality. These findings position RP Flow as a milestone towards generative models for reconstruction tasks where data is scarce and uncertainty must remain traceable.

We introduce a continuous-time generative modeling framework, motivated by the Chow-Rashevskii theorem, that builds expressive flows from a small set of fixed vector fields and learned scalar controls. Instead of learning an unconstrained high-dimensional vector field, our framework constructs the velocity by modulating fixed vector fields with learned scalar control functions. When the fixed fields are bracket-generating, their Lie algebra spans the ambient space, providing a mechanism for expressive transport with only a small number of learned control channels and offering a parameter-efficient geometric alternative to standard vector-field parameterizations. This decoupled formulation yields a structured and interpretable generative model in which the number of learned scalar output channels can be chosen independently of the ambient dimension. We formulate an expressivity principle showing that, under suitable controllability and well-posedness assumptions, such controlled flows can transport a source distribution to a target distribution. We train the resulting model using a continuous-normalizing-flow likelihood objective and present proof-of-concept experiments on synthetic distributions.

We present ProgVLA, a compact vision-language-action (VLA) model designed for reliable robot manipulation under tight compute and memory budgets. The model specifically focuses on efficiently processing long multi-modal sequences by maintaining an explicit representation of task progress over extended horizons. To this end, ProgVLA integrates two key components. First, a multi-modal encoder with a two-stage Perceiver resampling scheme compresses variable-length visual, language, and proprioceptive streams into a fixed set of control-ready context tokens, substantially reducing sequence length while preserving cross-modal grounding. Second, an auxiliary set of progress heads is trained with offline reinforcement learning (RL) objectives to jointly learn critics over normalized remaining-horizon targets. This provides the policy with an internal estimate of task progress and enables advantage- and success-weighted flow-matching imitation learning. On two well-established multi-task robot manipulation benchmarks, a 0.1B-parameter ProgVLA model reaches success rates that are competitive with, and on long-horizon and harder task tiers exceed, substantially larger pretrained baselines. Ablations indicate that the learned context resampler and task-adaptive visual fine-tuning are the largest single contributors, while progress-aware training provides a consistent additional gain that is concentrated on long-horizon and multi-object tasks. We further validate the approach in real-world toy-kitchen environments.

Generative models have emerged as a powerful paradigm for solving physics systems and modeling complex spatiotemporal dynamics. However, achieving high physical accuracy without incurring high computational cost remains a fundamental challenge, as existing approaches face a critical speed-fidelity trade-off. In this work, we introduce Recursive Flow Matching (RecFM), a generative framework for forecasting complex spatiotemporal dynamics. RecFM enforces self-consistency to align trajectories across discretization scales, reducing discretization errors and improving performance across metrics for physics-based tasks. To our knowledge, this is the first method to achieve high-fidelity one- and few-step (2-4 step) dynamic generation for scientific systems with performance comparable to state-of-the-art multi-step solvers. Across challenging scientific benchmarks, RecFM achieves up to a 20$\times$ speedup over leading diffusion-based emulators while improving predictive accuracy. Furthermore, RecFM reduces mean squared error by over 15% compared to vanilla flow matching, offering a scalable and efficient solution for real-time scientific emulation.

We introduce AdvantageFlow, a forward-process reinforcement learning algorithm for rectified flow models. Unlike Flow-GRPO, which optimizes the reverse process, we optimize an advantage-weighted forward-process prediction loss. This optimization problem is unstable when advantages are negative and the loss becomes non-convex. We stabilize it by rollout policy regularization, which reduces variance and arises from fitting a local reward-improving target distribution. We evaluate AdvantageFlow on image generation tasks with Stable Diffusion 3.5 Medium. It outperforms both Flow-GRPO and a state-of-the-art forward-process RL baseline based on negative-aware fine-tuning.

The generation of accurate 3D molecular conformations is a pivotal challenge in computational chemistry and drug discovery. Recently, diffusion and flow matching models have achieved remarkable success. However, there is a critical misalignment between their mathematical formulation and the physical reality of molecules. Existing approaches predominantly treat molecules as unstructured point clouds in Cartesian space, overlooking the intrinsic hierarchical mechanics where bond lengths and bond angles are relatively stiff, whereas torsion angles constitute the dominant flexible degrees of freedom. This lack of manifold awareness forces models to relearn fundamental geometric constraints from scratch, often leading to physically implausible intermediate structures. To address this, we propose GO-Flow that aligns generative modeling with molecular geometry via manifold decomposition. Instead of forcing motion through Euclidean space, GO-Flow decomposes the generation process into three physically motivated subspaces: translation space with linear optimal transport, rotation space with geodesic flows on $SO(3)$, and conformation space with entropic optimal transport. This decomposition injects geometric inductive biases and makes the generative paths better aligned with molecular degrees of freedom. When combined with equivariant neural architectures, it encourages rotation-consistent generation and improves geometric validity. Extensive experiments on GEOM-Drugs and GEOM-QM9 demonstrate that GO-Flow achieves state-of-the-art generation quality. Notably, by learning straighter probability paths on the correct manifolds naturally, our method enables high-fidelity sampling with as few as 50 steps, effectively bridging the gap between structural precision and computational efficiency.

Concept erasure has emerged as a key research direction for ensuring safe and ethical image synthesis in Text-to-Image (T2I) models. While existing studies have explored concept erasure across multiple concepts, they typically assume only a single target concept per image, a limitation increasingly exposed by modern flow-based T2I models, which can generate complex scenes with multiple concepts simultaneously. To address this gap, we introduce compositional multi-concept erasure, a new task that aims to simultaneously remove multiple target concepts within a single scene. We propose CoME-Bench, a benchmark for evaluating compositional multi-concept erasure, which covers both intra- and cross-category scenarios. We further propose Mosaic, a novel framework for multi-concept erasure in flow-based T2I models, which exploits the spatial locality of target concepts in the vector field by dynamically constructing concept-specific masks and selectively blending them without additional optimization. Extensive experiments demonstrate that Mosaic effectively removes multiple target concepts in complex compositional scenes while preserving non-target contexts.

Reconstructing PDE solutions from sparse observations is a core challenge in scientific computing. We present FM4PDE, a flow-matching generative framework that learns the joint distribution of PDE coefficients (or initial states) and solutions (or final states), enabling both forward simulation and inverse recovery with limited paired data. At inference, sampling is guided by a composite loss that enforces agreement with sparse measurements and reduces the PDE residual; we support deterministic, stochastic, and hybrid samplers. We provide error guarantees for these guided procedures. For the deterministic optimizer, a coercivity condition ensures trajectory boundedness and a phase-wise contraction yields logarithmic complexity in the target accuracy. For the stochastic sampler, we introduce adaptive guidance and assume dissipativity of the velocity field to obtain uniform moment bounds independent of the noise-floor parameter. This leads to polynomial-time error bounds, and a matching lower bound shows constant guidance induces an unavoidable positive bias, motivating adaptivity. A hybrid deterministic-stochastic analysis is also provided. Experiments on static and time-dependent benchmark PDEs demonstrate competitive accuracy and faster inference than diffusion-based generative models.

Recent advances in generative models highlight the power of geometry-aware modeling in manifold-constrained settings. Yet, for natural images, the field remains confined to Euclidean assumptions, failing to exploit the potential of intrinsic geometric structures within the data. In this work, we investigate the geometry of natural images and observe that semantic information is predominantly encoded in directional components, while norm components can be approximated by the global average. This property holds across both RGB and latent spaces, suggesting that natural images can be effectively modeled on a hypersphere. Building on this finding, we introduce Spherical Optimal Transport Flow Matching (SOT-CFM), which utilizes angular distance, and Spherical Flow Matching (SFM), which constrains dynamics directly on the manifold. Our experiments demonstrate that these geometry-aware methods achieve superior performance against Euclidean baselines. Ultimately, this work provides a novel perspective that bridges the gap between Riemannian manifold-based modeling and natural image generation.

Existing work on population dynamics inference often focuses on flows arising from vector fields that are the gradients of scalar potentials. Among all admissible flows that are compatible with the population dynamics, gradient flows are optimal in a specific sense: they minimize kinetic energy. The selection of fields based on different criteria corresponds to a gauge freedom when determining population dynamics, which we leverage in this work. We propose Non-Gradient Inference Flows (NGIF), an algorithm to infer non-gradient population dynamics using a weak formulation of the continuity equation. This allows us to parameterize general vector fields and choose other selection criteria beyond minimal kinetic energy. We demonstrate on a variety of low- and high-dimensional physics problems that this more general approach improves distributional accuracy over gradient-restricted baselines and better captures non-potential transport.

Numerous modern applications in signal processing and medical imaging necessitate acquiring high-dimensional signals under tight resource constraints. Traditional sampling theory suggests that accurate signal reconstruction requires a number of measurements proportional to the signal's ambient dimension, a requirement often too expensive or impractical. Compressed sensing challenges this notion by demonstrating that sparse signals can be recovered with fewer measurements, provided the measurement operator meets certain conditions. This proof-of-concept study presents a task-aware flow-based generative framework -- a reformulation of the conventional Flow Matching training paradigm with a flow model trained to optimize subsampling in compressed sensing applications. We establish the fundamental feasibility of the proposed framework of learning subsampling masks that substantially enhance the performance of compressed sensing for image classification, image reconstruction, and MRI acceleration. For the image reconstruction task, our method demonstrated state-of-the-art performance, achieving Peak Signal-to-Noise Ratio of 25.17 dB at the subsampling rate of 5% on the CelebA dataset and 29.24 dB when reconstructing $8\times$ accelerated MRI measurements (fastMRI dataset) with the minimal computational overhead. These results highlight the effectiveness of task-conditioning within generative flow models and reveal a promising direction for representation learning strategies. Overall, the proposed framework offers a unified, flexible approach to designing data- and task-driven sensing schemes that can be potentially adapted to a broad range of inverse problems.

Diffusion and flow matching have emerged as expressive policy classes in reinforcement learning, but their reliance on multi-step denoising imposes substantial computational overhead at inference time, which is particularly problematic in online RL. MeanFlow offers a promising alternative by learning an average velocity field that maps noise to data in a single network evaluation. However, MeanFlow typically requires samples from the target distribution to construct its target velocity field, which are unavailable in online RL. We propose Score-Based One-step MeanFlow Policy Optimization (SOM), an actor-critic algorithm that resolves this by constructing the target velocity field directly from the Q-function via score estimation and a probability flow ODE, thereby concentrating probability mass on high-value modes. In the fully online RL setting, SOM achieves state-of-the-art performance on locomotion tasks with a single generation step, while substantially reducing both training and inference time compared to prior diffusion- and flow-matching-based policies.

Embodied trajectories, such as the executable motion sequences of robotic manipulators, underwater vehicles, and mobile robots, are a fundamental output of embodied AI. Modern generative models often treat them as a dense, monolithic signal generated point by point, fitting an intricate high-dimensional posterior while leaving the data's latent structure unmodeled, the same sample inefficiency long identified by the structured generative model literature. We argue that a compositional latent structure is a natural choice: many embodied tasks share recurring motion fragments that can be made explicit as a finite repertoire of reusable motion primitives, and compositional units naturally align with subtask boundaries to support task decomposition. Existing compositional generators, however, compose in a latent space and rely on post-hoc decoding to relate sampled units to actual trajectory segments. We instead compose directly in the physical trajectory space through a flow-matching framework with two coupled designs. Motion-Primitive Dictionary Learning equips each atom with a learnable length mask and binary starting indicators so the atom itself is the primitive, reused verbatim wherever it is placed. Structural Sparse Flow Matching with Geometric Constraints then generates a binary placement matrix using duration-aware tokenization and a differentiable geometric loss that enforces spatial continuity and temporal contiguity where adjacent primitives meet. On Open X-Embodiment and 3DMoTraj, the framework attains state-of-the-art accuracy and reduces the FDE/ADE ratio from 1.8 to 1.07, improving ADE by 19.2% and FDE by 21.0% over the strongest baseline.

Generating high-quality time-series data is challenging because real-world signals often exhibit multimodal patterns and multiscale dynamics, including oscillations and high-frequency variations. Flow Matching (FM) offers an efficient alternative to diffusion models, but practical implementations typically rely on a single finite-capacity global vector-field estimator. In such heterogeneous temporal distributions, distinct regimes may pass through nearby flow states while requiring incompatible conditional velocities. A monolithic estimator trained with the standard $\ell_2$ velocity-matching objective may therefore learn an overly smoothed approximation of the local transport field. This estimator-level smoothing can attenuate branch-specific dynamics, leading to spectral distortion and poor mode coverage. To address this, we propose PrismFlow, a new FM method with Koopman-inspired dynamical experts. Each expert learns residual corrections in a latent space where local nonlinear temporal evolution can be approximated by linear transitions. We further propose a confidence-aware Winner-Take-All (WTA) objective that updates only the expert best aligned with each sample while masking gradients to the others, encouraging mode-specific specialization. During sampling, the selected expert adds a residual dynamical correction to the global transport field, preserving FM stability while recovering fine-grained and high-frequency temporal structures. Across various benchmarks, PrismFlow effectively mitigates the spectral contraction in standard FM and achieves state-of-the-art performance, with a 15.6% gain in Context-FID and a 38.6% improvement in Discriminative Score, while remaining robust in low-data settings and effective for forecasting and imputation.

We propose Flow Mismatching, an unsupervised anomaly detection method that deliberately avoids reconstruction-based paradigms. Instead, we treat flow matching as geometric dynamics and leverage a key insight: anomalies occur at places where the learned normal flow disagrees with the geometric path toward a test image. Given a flow matching model trained only on normal images, we probe its learned velocity field along affine paths from Gaussian noise to a target image. Along each path, we compare the model-predicted velocity, which follows normal generative dynamics, with the geometric velocity toward the target, which includes any anomalous content. Anomalies induce strong local disagreement between these velocities. Aggregating the mismatch over different time steps and multiple paths yields pixel-wise heatmaps and image-level scores without test-time optimization, feature memories, or additional calibration. Our analysis shows that the population mismatch decomposes into an irreducible denoising term and a Fisher-divergence term between the test-path and normal-path score functions, which identifies the score-gap component that drives anomaly separation and explains the effectiveness of robust path aggregation. Extensive experiments on MVTec-AD and VisA demonstrate superior performance compared with SOTA reconstruction-based and recent flow matching-based approaches.

We analyze finite-particle drifting models for one-step generative modeling. For a conservative velocity given by the difference of the kernel-smoothed data and model scores, a joint-entropy identity yields continuous-time bounds for the smoothed Fisher discrepancy and the squared particle velocity. The finite-particle correction involves reciprocal kernel density estimates. We give local-occupancy conditions and exact expectation bounds, and show that these expectations diverge for full-support initial densities in a shrinking-bandwidth regime. Keeping the bandwidth dependence of the quadrature constants explicit yields a conditional root residual-velocity rate of $N^{-1/(d+4)}$ under uniform regularity, with a corresponding rate under weaker quadrature growth conditions. We also analyze the original displacement field with the exact Laplace kernel. A companion kernel gives a weighted coercivity estimate that accommodates the unbounded empirical scale and the kernel's nondifferentiability. Localization controls the particle velocity, while relative scale alignment absorbs the mismatch into dissipation. Both analyses quantify the size of an additional drift correction under explicit regularity and stability assumptions.

Single-cell RNA sequencing (scRNA-seq) provides high-dimensional profiles of cellular states, enabling data-driven modeling of cellular dynamics over time. In practice, time-resolved scRNA-seq is collected at only a few discrete time points as unpaired snapshot populations, leaving substantial temporal gaps. This motivates trajectory inference at unmeasured time points. Existing methods mainly follow two directions, optimal-transport (OT) alignment provides distribution-level matching between observed snapshots, while continuous-time generative models support forecasting via learned dynamics. However, two challenges remain: (i) unpaired snapshots render local transitions between adjacent time points ambiguous, leading to unstable supervision; and (ii) long-horizon prediction relies on repeated integration, where small modeling errors compound and cause distribution drift. To address these challenges, we propose single-cell Flow Matching (scFM), a latent generative framework based on coupling-conditioned flow matching. First, we compute entropically regularized OT couplings between adjacent snapshots and use them to construct soft, weighted flow-matching targets for learning time-dependent velocity fields. Second, we learn bidirectional velocity fields and leverage their consistency to refine couplings and improve temporal coherence under sparse supervision. Third, we introduce distribution-level alignment and latent dynamic regularization to anchor long rollouts and mitigate drift. Experiments on real-world time-series scRNA-seq datasets show that scFM consistently improves distributional prediction performance for both temporal interpolation and extrapolation. Moreover, scFM yields more accurate trajectory reconstruction and temporally coherent visualizations where intermediate time points are absent, indicating a more faithful recovery of underlying temporal gene expression dynamics.

Flow matching with $x$-prediction -- regressing the clean data point rather than the ambient velocity -- is known to exploit low-dimensional manifold structure effectively in pixel space \cite{li2025back}. We ask whether a pretrained representation space, while containing a low-dimensional data manifold of comparable intrinsic dimensionality, offers a distribution more favorable for flow-matching learning. Comparing pixel, SD-VAE, and DINOv2 features along four geometric axes, we find that pixel and DINOv2 share nearly identical intrinsic dimensionalities (both $\hat{d}\!\approx\!33$) yet DINOv2 exhibits $7.3\times$ higher effective rank, $35\times$ better covariance conditioning, $11.5\times$ lower excess kurtosis, and $1.7\times$ lower on-manifold interpolation error; SD-VAE latents are consistently intermediate, indicating that the advantage stems from representation-learning objectives rather than mere compression. These statistical properties render the flow-matching regression well-conditioned and remove the need for the specialized prediction heads or Riemannian transport used by prior DINOv2 diffusion methods. We propose the \emph{Representation Image Transformer} (RiT): a vanilla Diffusion Transformer trained by $x$-prediction on frozen DINOv2 features, augmented only by a dimension-aware noise schedule and joint \texttt{[CLS]}-patch modeling. On ImageNet $256{\times}256$, RiT attains FID 1.45 without guidance and 1.14 with classifier-free guidance, outperforming DiT$^\text{DH}$-XL with $19\%$ fewer parameters (676M vs.\ 839M). The resulting ODE is efficiently solvable at coarse discretizations: with classifier-free guidance, $5$ Heun steps already reach FID 2.0 and $10$ steps reach 1.25, without distillation or consistency training. Code at https://github.com/lezhang7/RiT.

Phylogenetic trees are hybrid objects: branch lengths vary continuously, while topologies change discretely through edge contractions and expansions. Billera-Holmes-Vogtmann (BHV) tree space provides a canonical geometry for this structure, representing each resolved topology as a Euclidean orthant and topological changes as motion across shared lower-dimensional boundaries. We introduce PhylaFlow, a hybrid flow-matching model that learns posterior-basin transport in BHV tree space. PhylaFlow is trained on BHV geodesic paths from random starting trees to short-run posterior samples, coupling continuous branch-length motion within orthants with learned boundary events and discrete topology transitions. We evaluate the learned geometry operationally: if the flow reaches posterior-relevant regions, finite-budget Bayesian refinement initialized from, or guided by, its terminal trees should recover posterior-supported topologies more efficiently. Across DS1-DS8 phylogenetic posterior benchmarks, PhylaFlow substantially reduces initial Tree-KL relative to classical initializers. After finite-budget MrBayes refinement, direct PhylaFlow improves early and intermediate topology-recovery trajectories on most datasets, while split-guided PhylaFlow-MCMC obtains the strongest hard-case results. The best PhylaFlow variant outperforms short-warmup on seven of eight datasets and PhyloGFN on five of eight under the same refinement budget. In a joint sequence-conditioned experiment, sequence embeddings steer posterior split recovery, although exact posterior topology recovery remains preliminary. These results show that hybrid flow matching can learn actionable transport in BHV tree space and provide a geometry-aware proposal mechanism for Bayesian phylogenetic inference.

Inference-time guided sampling steers state-of-the-art diffusion and flow models without fine-tuning by interpreting the generation process as a controllable trajectory. This provides a simple and flexible way to inject external constraints (e.g., cost functions or pre-trained verifiers) for controlled generation. However, existing methods often fail when composing multiple constraints simultaneously, which leads to deviations from the true data manifold. In this work, we identify root causes of this off-manifold drift and find that the approximation error scales severely with gradient misalignment. Building on these findings, we propose Conflict-Aware Additive Guidance ($g^\text{car}$), a lightweight and learnable method, which actively rectifies off-manifold drift by dynamically detecting and resolving gradient conflicts. We validate $g^\text{car}$ across diverse domains, ranging from synthetic datasets and image editing to generative decision-making for planning and control. Our results demonstrate that $g^\text{car}$ effectively rectifies off-manifold drift, surpassing baselines in generation fidelity while using light compute. Code is available at https://github.com/yuxuehui/CAR-guidance.

LLM agents today communicate via text, which incurs considerable latency and information loss due to the need to autoregressively decode the sharer model's state and encode at the receiver model. Recent work such as Cache-to-Cache (C2C; Fu et al., 2026) seeks to exchange KV caches by learning adapters that translate sharer KV matrices to the receiver model. However, the adapters are large and expensive to train, and translate individual tokens, which requires the target context to be identical. This is unsuitable for agent communication, where the LLMs have differing context. We introduce Latent Cache Flow (LCF). To address efficiency, we observe that keys and values can be jointly translated and compressed, reducing the adapter to about 4% of C2C's size. To address differing context, we design the adapter to transmit a summary of new information that the target model does not have. Our early experiments show that a pruned 13 MB LCF adapter can be more accurate than C2C at 956 MB in shared-context settings; for different contexts, LCF improves F1 by 7.5% and Exact Match by 23% while 8.5 times faster than text-based communication.

Diffusion and flow-based generative models dominate visual synthesis, with guidance aligning samples to user input and improving perceptual quality. However, Classifier-Free Guidance (CFG) and extrapolation-based methods are heuristic linear combinations of velocities/scores that ignore the generative manifold geometry, breaking probability conservation and driving samples off the learned manifold under strong guidance. We analyse guidance through the continuity equation and show its effect decomposes into a divergence term and a score-parallel term defined invariantly across parameterisations. We prove the divergence term blows up structurally as sampling approaches the data manifold, motivating a time-dependent schedule alongside score-parallel attenuation. The resulting plug-and-play rule, Adaptive Manifold Guidance (AdaMaG), bounds both terms at no additional inference cost. Finally, we show that most empirical heuristics for reducing saturation or improving generation quality correspond directly to the two terms in our decomposition. Across image generation benchmarks, AdaMaG improves realism, reduces hallucinations, and induces controlled desaturation in high-guidance regimes.

Standard generative models struggle with heavy-tailed data: Lipschitz architectures cannot produce power-law tails from Gaussian noise, and interpolating between heavy-tailed data and Gaussians is ill-posed. We propose a simple fix: apply the soft-log transform $φ(x) = \mathrm{sign}(x) \cdot \log(1 + |x|)$ coordinate-wise to data before training, then exponentiate samples after generation. A Hill diagnostic decides per-coordinate whether to transform, leaving light-tailed margins untouched at no added complexity. This compresses heavy tails into a range where standard flow matching succeeds, without heavy-tailed base distributions or architectural modifications. We provide theoretical intuition for why this works: the log-transform maps Pareto tails to exponentials, and the induced dynamics implement a form of tail annealing via power transformations. On a 144-configuration multivariate benchmark (3 copulas, $d$ up to 100, 4 tail indices), Log-FM dominates specialized baselines on $W_1$, CVaR$_{99}$, and extreme-quantile metrics, and is the only method with zero severe divergences across 2{,}880 runs.

For practical use, diffusion- or flow-based generative models must be aligned with task-specific rewards, such as prompt fidelity or aesthetic preference. That alignment is challenging because the reward is defined for clean output images, but the alignment procedure requires value function estimates at noisy intermediate latents. Existing methods resort to Tweedie-style or Monte Carlo approximations, trading off estimator bias against computational cost: Tweedie estimates are efficient but biased, while Monte Carlo estimates are more accurate but require expensive rollouts. A natural alternative would be a learned value function, but it remains an open question how to effectively train a strong and general value model specifically for noisy latents. Here, we propose StitchVM, a model stitching framework that efficiently transfers reward models pretrained for clean images to the noisy latent regime. StitchVM starts from an existing, truncated pixel-space reward model and attaches a frozen diffusion backbone to it as its head. From the pixel-space model, the resulting hybrid retains a carefully pretrained, robust reward capability; from the diffusion backbone, it inherits its native ability to handle noisy latents. The stitching procedure is exceptionally lightweight, e.g., stitching and finetuning CLIP ViT-L and SD 3.5 Medium takes only 10 GPU-hours. By lifting powerful pixel-space reward models to latent space, StitchVM opens up a new style of diffusion alignment: instead of rough, yet costly per-sample approximation of the value function, the correct function for the actual, noisy latents is constructed once and then amortized over many samples and iterations. We show that this approach yields improvements across a broad range of downstream steering and post-training methods: DPS becomes $3.2\times$ faster while halving peak GPU memory, and DiffusionNFT becomes $2.3\times$ faster.

This paper tackles the task of learning to generate signals over triangle meshes in a triangulation-agnostic manner, meaning the trained model can be applied to different meshes and triangulations effectively. Practically, the paper adapts the flow matching (FM) paradigm to a mesh-based, triangulation-agnostic setting. Theoretically, it proposes a specific noise distribution which is triangulation agnostic, to be used inside the FM model's denoising process. While noise distributions are usually trivial to devise for, e.g., images, devising a triangulation-agnostic distribution proves to be a much more difficult task. We formulate a mathematical definition of triangulation agnosticism of distributions, via their spectrum. We then show that a discretization of a specific Gaussian random field called a Matérn process holds these desired properties, and provides a simple and efficient sampling algorithm. We use it as our noise model, and adapt FM to the triangulation-agnostic setting by using a state-of-the-art approach for learning signals on meshes in the gradient domain -- PoissonNet -- as the denoiser. We conduct experiments on elaborate tasks such as sampling elastic rest states, and generating poses of humanoids. Our method is shown to be capable of producing highly realistic results for meshes of over one million triangles, significantly exceeding the state-of-the-art in quality and diversity.

Recovering world space 4D motion of two interacting hands from egocentric video is a fundamental capability for supervising robot policy learning, where wrist trajectories track the end-effector and finger articulations specify the grasp pose. Two major challenges arise in this setting: hands frequently leave the camera view for extended periods due to head motion, and persistent hand-object interactions cause severe occlusions of one or both hands. Existing methods uniformly condition on noisy hand motion observations without accounting for their per-frame reliability, leading to substantial performance degradation. Our key insight is that accurate world space hand motion estimation is tightly coupled with the quality of per-frame hand observations. To this end, we decompose the quality of hand motion observations extracted from an off-the-shelf hand pose estimator into four channels: wrist global translation and finger articulations for both hands. We propose StableHand, a quality-aware flow-matching framework conditioned on these four-channel quality signals, which are predicted by a learned quality network. We naturally incorporate the quality signals into the flow-matching process through a per-channel forward schedule, a quality-adjusted velocity target, AdaLN modulation of the DiT denoiser, and a quality-aware ODE initialization. This unified generative process preserves high-quality observations while reconstructing unreliable ones using a learned bimanual motion prior. Experiments on HOT3D and ARCTIC, two egocentric benchmarks featuring long missing-hand spans and persistent hand-object occlusions, show that StableHand achieves state-of-the-art performance across all reported metrics, reducing W-MPJPE by 20-25% compared to the strongest baseline, with the largest gains on heavily occluded ARCTIC sequences.

Many dynamical systems can be described in terms of structured flows combining source/sink behavior, cyclic dynamics, and topology-constrained transport. These features arise across a wide range of physical, engineered, and data-driven systems. The objective of this work is to establish a unified perspective on such systems, to identify modeling approaches that balance expressivity, interpretability, computational complexity, and data requirements, and to investigate how highly expressive models can be used to uncover the dominant mechanisms underlying observed dynamics. Starting from the Helmholtz-Hodge decomposition of continuous vector fields, we review the recently proposed Graph Vector Field (GVF) framework and its discrete representation on simplicial complexes. We then introduce a hierarchy of alternative approaches, including parametric conditional models, linear graph dynamical systems, and reduced Hodge representations. Finally, we propose a verification and validation methodology based on benchmark datasets from well-understood physical systems and on systematic model-reduction and ablation studies. The resulting family of structured-flow models within a common framework, ranging from low-dimensional parametric representations to full GVF formulations, supports a diagnostic methodology in which gradient, curl, harmonic, and topological contributions are systematically assessed through ablation studies. This process enables the identification of dominant mechanisms underlying the observed dynamics and guides the construction of simplified models tailored to the available data and operational constraints. By separating structural verification, behavioral verification, and domain-specific validation, the proposed approach provides a foundation for scalable and interpretable analysis of complex dynamical systems across multiple application domains.

Accurate simulation of fluid flow in porous media is challenging due to complex pore-space geometries and the computational cost of solving the Navier-Stokes equations. This difficulty is particularly important when repeated simulations are required, as standard numerical solvers may converge slowly in intricate porous domains. We present a neural-network-based framework for predicting pore-scale velocity fields directly from sample geometry. The method uses a convolutional encoder-decoder architecture with skip connections to preserve spatial detail while extracting multi-scale features. Physical consistency is encouraged through a custom loss function combining velocity reconstruction with incompressibility, no-flow conditions inside solids, periodicity constraints, and agreement with the global tortuosity index. We analyze the influence of the corresponding loss weights and quantify the contribution of individual loss components to prediction accuracy. Several CNN backbones are evaluated to identify architectures providing accurate and robust predictions. The generalization ability of the trained model is tested on samples outside the training distribution, including changes in obstacle geometry, boundary conditions, porosity, and realistic porous structures. Finally, we demonstrate a practical use of the predicted velocity fields as initial conditions for Lattice-Boltzmann simulations. This warm-start strategy accelerates solver convergence, reducing the number of iterations in over 90% of tested cases.

We develop a unified theoretical framework for data-free one-step sampling from unnormalized target distributions based on Wasserstein gradient flows. For a broad class of standard f-divergence objectives, we show that the induced velocity field admits the universal form $\mathbf{V}(x)=w(r(x))\,β(x)$, where $β(x)=\nabla \log (p(x)/q(x))$ is shared across objectives and $w$ is determined solely by the choice of divergence. This decomposition shows that standard f-divergence drifts share the same asymptotic target distribution $p$ and differ primarily in how they redistribute transient repair effort across under-covered regions. To formalize this distinction, we derive a one-step regional-response theory for a soft under-coverage functional and obtain a compression--elasticity identity that links divergence choice to the geometry of mass transport into under-covered regions. We further extend the framework beyond the f-divergence family to the Log-Variance (LV) divergence, analyze how the reference distribution alters the resulting drift structure, and motivate a practical LV-inspired surrogate for data-free training. Based on this theory, we instantiate the framework with a KDE-based implementation and describe a complementary normalizing-flow route, enabling one-step inference after training. Experiments on multimodal Gaussian-mixture benchmarks are consistent with the theoretical predictions and demonstrate effective one-step sampling on these targets.

Digital twins (DTs) rely on continuous synchronization between physical systems and their virtual counterparts through online parameter estimation under uncertainty. In many practical settings, however, this task is challenged by low observability, weak excitation, nonlinear dynamics, and noisy or biased measurements. In this work, we develop a new mathematical framework that integrates Weighted Flow Matching (WFM) generative modeling with physics-informed nonlinear filtering to enhance parameter estimation in DTs. WFM relies on dynamic reweighting of training samples, which guides the generative model toward parameter regimes most informative of the evolving system state. This generative component is tightly coupled with a physics-informed filtering architecture based on the Unscented Kalman Filter (UKF), yielding a unified DT framework that combines data-driven probability transport with physically consistent state and parameter estimation. The effectiveness of the new integrated framework is demonstrated within a spacecraft DT architecture, where stable moment of inertia estimation is achieved under uncertain and noisy sensing, with significant performance improvements over established approaches such as Extended Kalman Filtering (EKF) and Ensemble Kalman Filtering (EnKF). These results highlight the potential of weighted generative modeling as a core mechanism for real-time DT synchronization in operational and mission-critical systems.

Learning permutations is fundamental to sorting, ranking, and matching, but existing differentiable methods based on entropy-regularized Sinkhorn produce a single softened solution and collapse under ambiguity. We present PermFlow, a conditional flow matching framework that operates directly on the affine subspace of matrices with unit row and column sums. A closed-form tangent-space projector preserves these constraints exactly along every trajectory, by construction rather than through iterative correction, and a nearest-target coupling routes distinct noisy initializations toward distinct valid permutations. The result is a model that captures multimodal permutation distributions rather than collapsing them to a single mode. On a visual sorting task with blended-digit ambiguity and a symmetric linear assignment problem, PermFlow achieves high accuracy on unambiguous inputs and recovers both valid permutations under ambiguity, where Sinkhorn-based baselines structurally fail.

For a fixed flow-based generative model under a small inference budget, sample quality can depend strongly on where the sampler spends its few function evaluations. Flow matching and Schrödinger bridges define probability paths, yet their inference grids are usually heuristic or inherited from one-endpoint diffusion. We derive a conditional-marginal entropy-rate objective for bridge-aware discretization, separating endpoint-conditioned bridge geometry from marginal flow evolution, and use it to build a training-free entropic inference-time scheduler from first principles. For Gaussian Brownian bridges this rate is closed-form and U-shaped, motivating boundary-heavy nonuniform grids. On trained two-dimensional bridge/flow models, the estimated profile recovers the predicted shape and improves 10-step ODE-Heun MMD over linear by 18.1%, with a paired 22.7% SDE-Heun improvement in the same low-NFE sweep. On EDM/CIFAR-10, the entropic time-discretization gives the best tested five-step FID (186.3 \pm 4.0 versus 200.5 \pm 2.9 for linear and 238.0 \pm 5.3 for cosine). On AlphaFlow protein generation, entropic conditional-marginal (cond-marg) scheduling shows advantage in low-NFE regimes on both CAMEO22 and ATLAS benchmarks. These results support entropy-rate scheduling as a practical low-budget allocation signal for high-dimensional bridge and flow samplers.

The source distribution in conditional flow matching is a design parameter that can be calibrated to data, not a default isotropic prior. We exploit this in Multi-Fidelity Flow Matching (MFFM), a cascade refinement framework for parametric PDE solutions: the source is calibrated to the empirical low-to-high-fidelity residual scale with local Gaussian-blur correlation, and the velocity network is conditioned on the low-fidelity solution. Conditioning makes the residual refinement problem substantially easier than unconditional field generation, while residual-calibrated source noise improves the flow-matching training geometry. A multi-resolution cascade applies the same construction independently between adjacent fidelities. After level-wise flow-matching pretraining, we fine-tune the composed cascade end-to-end with a deterministic one-step rollout, which makes one velocity evaluation per cascade level the optimized operating point at inference. The result is a learned analog of multigrid refinement that reaches the finest grid in $L$ deterministic network evaluations per query. We validate MFFM on eight benchmarks: two super-resolution problems and six spatiotemporal forecasting tasks from PDEBench, The Well, and the FNO Navier--Stokes dataset.

Visuomotor policies aim to learn complex manipulation tasks from expert demonstrations. However, generating smooth and coherent trajectories remains challenging, as it requires balancing proximal precision with distal foresight. Existing approaches typically focus on optimizing intra-chunk action distributions, often neglecting the inter-chunk coherence. Consequently, inter-chunk discontinuities significantly impede the learning of coherent long-horizon actions. To overcome this limitation and achieve a synergetic balance between precision and foresight, we propose FocalPolicy, a foresight-aware visuomotor policy that combines Frequency-Optimized Chunking with Locally Anchored flow matching. We introduce a foresight composite objective that supervises time-domain alignment within the proximal actions while regularizing frequency-domain structure over multiple future action chunks to improve cross-chunk coherence. To efficiently learn complex action distributions, we design locally anchored sampling to enhance target signal propagation efficiency during consistency flow matching training. Extensive experiments demonstrate that FocalPolicy outperforms existing approaches and confirm the generalizability of our modules to other baselines. Project website: https://focalpolicy.github.io/

Classifier-free guidance (CFG) is the primary control over how strongly text semantics move a flow-based sampler, yet standard practice holds its scale fixed across the entire ODE trajectory. This is a fundamental mismatch: early steps are noise-dominated and carry weak semantic signal, while late steps commit image structure and demand stronger directional commitment; more critically, the value of any guidance strength depends on whether the guided velocity is consistent with the model's current dynamics or working against them. We propose \textit{Velocity-Adaptive Guidance Scale} (VAGS), a training-free replacement that multiplies the nominal scale by a bounded factor combining a temporal signal-level term with the cosine similarity between task-relevant velocity fields. For inversion-free editing, VAGS measures the alignment between source- and target-guided velocities, so edit strength at each step reflects local compatibility between preservation and transformation. For generation, VAGS-Gen uses the alignment between unconditional and conditional velocities as the analogous signal. Neither variant requires fine-tuning, auxiliary networks, or extra forward passes, and fixed CFG is recovered as a special case. On PIE-Bench and DIV2K for editing, and COCO17, CUB-200, and Flickr30K for generation, VAGS consistently improves structural fidelity and generation quality over fixed CFG and recent training-free guidance variants. The code is publicly available at https://github.com/Harvard-AI-and-Robotics-Lab/Velocity_Adaptive_Guidance_Scale.

Flow matching trains a neural velocity field by regression against a target velocity associated with a prescribed probability path connecting a simple initial distribution to the data distribution. A central design choice is the path itself. Existing constructions, including rectified and optimal-transport-based paths, transport samples along straight lines between coupled endpoints and thus cover only a narrow class of dynamics. We observe that this corresponds to the simplest case of the least-action principle in classical mechanics, in which the kinetic Lagrangian yields free-particle straight-line trajectories. Building on this observation, we propose Lagrangian flow matching, a physics-based framework in which the probability path and velocity field are determined by minimizing the action of a general Lagrangian subject to the continuity equation and the prescribed endpoints. We show that this dynamic problem admits an equivalent static optimal transport (OT) formulation, yielding a family of simulation-free training objectives that recover OT-based flow matching as the kinetic special case and the trigonometric variance-preserving diffusion path as the harmonic-oscillator case. More general Lagrangians give rise to new probability paths and velocity fields, and numerical experiments show that they induce meaningful changes in the learned dynamics while remaining competitive with existing conditional flow matching models.

In GFlowNets and variational inference, it has been shown that the mean square error between target and model log probabilities is an effective, low variance, surrogate loss for training generative models. This loss has the property that when evaluated \emph{on-policy} its gradients correspond to those of the KL divergence, while \emph{off-policy} it remains a valid loss with the same global minimizer. In this work, we demonstrate that this construction can be extended to the whole family of $f$-divergences, leading to a family of losses whose on-policy gradients are that of the corresponding $f$-divergence, but retain the same global minimizer off-policy. Specifically, we show that the on-policy gradients lead to a one to one correspondence between translation invariant loss functions on the target and model log probabilities, and $f$-divergences. This equivalence allows us to design new surrogate loss functions for tuning a wide class of generative models that inherit the properties of the corresponding $f$-divergence, such as being more mode covering, whilst being applicable to off-policy data. We apply our losses on a range of tasks, including classic synthetic examples, SynFlowNets for molecule discovery, and asynchronous large language model (LLM) tuning, demonstrating that our models retain their predicted properties on- and off-policy in a wide class of generative models.

Latent flow matching for image generation usually transports Gaussian noise to variational autoencoder latents along linear paths. Both endpoints, however, concentrate in thin spherical shells, and a Euclidean chord leaves those shells even when preprocessing aligns their radii. By decomposing each latent token into radial and angular components, we show through component-swap probes that decoded perceptual and semantic content is carried predominantly by direction, with radius contributing much less. We therefore project data latents onto a fixed token radius, use the radial projection of Gaussian noise as the spherical prior, finetune the decoder with the encoder frozen, and replace linear interpolation with spherical linear interpolation. The resulting geodesic paths stay on the sphere at every timestep, and their velocity targets are purely angular by construction. Under matched training, the method consistently improves class-conditional ImageNet-256 FID across different image tokenizers, leaves the diffusion architecture unchanged, and requires no auxiliary encoder or representation-alignment objective.

While Flow Matching theoretically guarantees constant-velocity trajectories, we identify a critical breakdown in high-dimensional practice: the Velocity Deficit. We show that the MSE objective systematically underestimates velocity magnitude, causing generated samples to fail to reach the data manifold-a phenomenon we term Integration Lag. To rectify this, we propose Initial Energy Injection, instantiated via two complementary methods: the training-based Magnitude-Aware Flow Matching (MAFM) and the training-free Scale Schedule Corrector (SSC). Both are grounded in our discovery of a crucial asymmetry: velocity contraction causes harmful kinetic stagnation at the trajectory's start, yet acts as a beneficial denoising mechanism at its end. Empirically, SSC yields significant efficiency gains with zero retraining and just one line of code. On ImageNet-1k (256x256), it improves FID by 44.6% (from 13.68 to 7.58) and achieves a 5x speedup, enabling a 50-step generator (FID 7.58) to beat a 250-step baseline (FID 8.65). Furthermore, our methods generalize to Text-to-Image tasks and high-resolution generation, improving FID on MS-COCO by ~22%.

Flow Language Models (FLMs) are a recently introduced class of language models which adapt continuous flow matching for one-hot encoded token sequences. Their denoisers have a special structure absent from generic continuous diffusion models: each block of the denoising mean is a posterior marginal distribution over the clean token at that position. Standard DDPM-style samplers collapse these marginals to a single conditional-mean endpoint and bridge toward this simplex-valued point, which is generally not a valid one-hot sequence. We argue that the natural sampler for an FLM is instead posterior-predictive. At each reverse step, we sample a clean one-hot endpoint from the factorized posterior defined by the FLM token marginals, and then sample the next continuous state from the analytic Ornstein--Uhlenbeck bridge conditioned on that endpoint. The method is training-free, uses the same model evaluations as standard sampling, and gives a principled interface for token-level decoding controls such as temperature scaling and nucleus truncation. We show that, under exact posterior marginals, the endpoint approximation error is exactly the conditional multi-information among token positions. The induced one-step bridge kernel preserves all token-wise posterior-predictive marginals and loses only the residual cross-position dependence. Finally, we prove a Girsanov path-space comparison showing that the marginal-conditioned bridge has a no-larger denoising-error term than the frozen conditional-mean bridge, with strict improvement whenever intermediate coordinate-wise bridge observations reveal additional information about the clean token. Experiments with FLMs show that the sampler improves the quality--diversity tradeoff. Code is available at: github.com/imbirik/mcb.