Daily Papers

Multi-turn instruction following capability constitutes a core competency of large language models (LLMs) in real-world applications. Existing evaluation benchmarks predominantly focus on fine-grained constraint satisfaction and domain-specific capability assessment, yet overlook the crucial structural dependency between dialogue turns that distinguishes multi-turn from single-turn interactions. This structural dependency not only reflects user intent but also establishes a second dimension for instruction following evaluation beyond constraint satisfaction. To address this gap, we propose StructFlowBench, a multi-turn instruction following benchmark with structural flow modeling. The benchmark innovatively defines a structural flow framework comprising six fundamental inter-turn relationships, which not only introduces novel structural constraints for model evaluation but also serves as generation parameters for creating customized dialogue flows tailored to specific scenarios. Adopting established LLM-based automatic evaluation methodologies, we conduct systematic evaluations of 13 leading open-source and closed-source LLMs. Experimental results reveal significant deficiencies in current models' comprehension of multi-turn dialogue structures. The code is available at https://github.com/MLGroupJLU/StructFlowBench.

Recent inversion-free, flow-based image editing methods such as FlowEdit leverages a pre-trained noise-to-image flow model such as Stable Diffusion 3, enabling text-driven manipulation by solving an ordinary differential equation (ODE). While the lack of exact latent inversion is a core advantage of these methods, it often results in unstable editing trajectories and poor source consistency. To address this limitation, we propose {\em FlowAlign}, a novel inversion-free flow-based framework for consistent image editing with optimal control-based trajectory control. Specifically, FlowAlign introduces source similarity at the terminal point as a regularization term to promote smoother and more consistent trajectories during the editing process. Notably, our terminal point regularization is shown to explicitly balance semantic alignment with the edit prompt and structural consistency with the source image along the trajectory. Furthermore, FlowAlign naturally supports reverse editing by simply reversing the ODE trajectory, highliting the reversible and consistent nature of the transformation. Extensive experiments demonstrate that FlowAlign outperforms existing methods in both source preservation and editing controllability.

Flow matching (FM) enables high-fidelity generation, while self-supervised learning (SSL) speech models provide hierarchical representations spanning acoustic and phonetic levels. However, existing FM-based speech enhancement (SE) methods operate primarily in the spectral domain, treating SSL features only as external conditions rather than modeling directly in the SSL latent space. To fully exploit the structural richness of SSL representations, we propose PhASE-Flow, an FM-based SE framework that operates entirely in the SSL space. It models the conditional distribution of clean acoustic representations given phonetic ones, reconstructing the waveform via a neural vocoder. Experiments show that PhASE-Flow outperforms state-of-the-art baselines in perceptual quality and intelligibility. Notably, it achieves competitive performance with only four sampling steps, enabling highly efficient inference. Audio demos are available at https://anonymous.4open.science/w/phase-flow_demo-E6E1/.

Text-driven video editing aims to modify video content according to natural language instructions. While recent training-free approaches have made progress by leveraging pre-trained diffusion models, they typically rely on inversion-based techniques that map input videos into the latent space, which often leads to temporal inconsistencies and degraded structural fidelity. To address this, we propose FlowDirector, a novel inversion-free video editing framework. Our framework models the editing process as a direct evolution in data space, guiding the video via an Ordinary Differential Equation (ODE) to smoothly transition along its inherent spatiotemporal manifold, thereby preserving temporal coherence and structural details. To achieve localized and controllable edits, we introduce an attention-guided masking mechanism that modulates the ODE velocity field, preserving non-target regions both spatially and temporally. Furthermore, to address incomplete edits and enhance semantic alignment with editing instructions, we present a guidance-enhanced editing strategy inspired by Classifier-Free Guidance, which leverages differential signals between multiple candidate flows to steer the editing trajectory toward stronger semantic alignment without compromising structural consistency. Extensive experiments across benchmarks demonstrate that FlowDirector achieves state-of-the-art performance in instruction adherence, temporal consistency, and background preservation, establishing a new paradigm for efficient and coherent video editing without inversion.

Multi-server MCP agents create an information-flow control problem: faithful tool composition can turn individually benign read/write permissions into cross-boundary credential propagation -- a structural side effect of workflow topology, not necessarily malicious model behavior. We present MCPHunt, to our knowledge the first controlled benchmark that isolates non-adversarial, verbatim credential propagation across multi-server MCP trust boundaries, with three methodological contributions: (1) canary-based taint tracking that reduces propagation detection to objective string matching; (2) an environment-controlled coverage design with risky, benign, and hard-negative conditions that validates pipeline soundness and controls for credential-format confounds; (3) CRS stratification that disentangles task-mandated propagation (faithful execution of verbatim-transfer instructions) from policy-violating propagation (credentials included despite the option to redact). Across 3,615 main-benchmark traces from 5 models spanning 147 tasks and 9 mechanism families, policy-violating propagation rates reach 11.5--41.3% across all models. This propagation is pathway-specific (25x cross-mechanism range) and concentrated in browser-mediated data flows; hard-negative controls provide evidence that production-format credentials are not necessary -- prompt-directed cross-boundary data flow is sufficient. A prompt-mitigation study across 3 models reduces policy-violating propagation by up to 97% while preserving 80.5% utility, but effectiveness varies with instruction-following capability -- suggesting that prompt-level defenses alone may not suffice. Code, traces, and labeling pipeline are released under MIT and CC BY 4.0.

Representational analysis explores how input data of a neural system are encoded in high dimensional spaces of its distributed neural activations, and how we can compare different systems, for instance, artificial neural networks and brains, on those grounds. While existing methods offer important insights, they typically do not account for local intrinsic geometrical properties within the high-dimensional representation spaces. To go beyond these limitations, we explore Ollivier-Ricci curvature and Ricci flow as tools to study the alignment of representations between humans and artificial neural systems on a geometric level. As a proof-of-principle study, we compared the representations of face stimuli between VGG-Face, a human-aligned version of VGG-Face, and corresponding human similarity judgments from a large online study. Using this discrete geometric framework, we were able to identify local structural similarities and differences by examining the distributions of node and edge curvature and higher-level properties by detecting and comparing community structure in the representational graphs.

Molecule generation is advancing rapidly in chemical discovery and drug design. Flow matching methods have recently set the state of the art (SOTA) in unconditional molecule generation, surpassing score-based diffusion models. However, diffusion models still lead in property-guided generation. In this work, we introduce PropMolFlow, a novel approach for property-guided molecule generation based on geometry-complete SE(3)-equivariant flow matching. Integrating five different property embedding methods with a Gaussian expansion of scalar properties, PropMolFlow outperforms previous SOTA diffusion models in conditional molecule generation across various properties while preserving the stability and validity of the generated molecules, consistent with its unconditional counterpart. Additionally, it enables faster inference with significantly fewer time steps compared to baseline models. We highlight the importance of validating the properties of generated molecules through DFT calculations performed at the same level of theory as the training data. Specifically, our analysis identifies properties that require DFT validation and others where a pretrained SE(3) geometric vector perceptron regressors provide sufficiently accurate predictions on generated molecules. Furthermore, we introduce a new property metric designed to assess the model's ability to propose molecules with underrepresented property values, assessing its capacity for out-of-distribution generalization. Our findings reveal shortcomings in existing structural metrics, which mistakenly validate open-shell molecules or molecules with invalid valence-charge configurations, underscoring the need for improved evaluation frameworks. Overall, this work paves the way for developing targeted property-guided generation methods, enhancing the design of molecular generative models for diverse applications.

Image super-resolution (ISR) has witnessed remarkable progress with diffusion models and flow matching. The dominant text-to-image (T2I) based approaches leverage large-scale foundation models as generative priors, achieving impressive perceptual quality but at the cost of massive model sizes and prohibitive training expenses. Recent flow-matching-based vision-only approaches have made significant strides; however, they adopt standard flow formulations that transport from a pure Gaussian prior to the data distribution, discarding the rich structural information already present in the low-quality (LQ) input. Furthermore, existing single-step acceleration techniques often forfeit the model's multi-step inference capability. In this paper, we propose Residual Flow Matching for Image Super-Resolution (RFMSR), a vision-only framework that centers the source distribution at the LQ latent, reducing transport distance and preserving structural priors throughout the flow trajectory. We further introduce a two-phase training strategy: Phase I pretrains the velocity field via conditional flow matching, while Phase II applies end-to-end supervision to the single-step prediction while retaining the velocity loss across all timesteps, achieving high-quality single-step generation without sacrificing multi-step refinement. Extensive experiments demonstrate that RFMSR achieves comparable or even superior perceptual quality compared to state-of-the-art (SOTA) methods. The source code is available at https://github.com/Faze-Hsw/RFMSR.

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.

Deep research is an inherently challenging task that demands both breadth and depth of thinking. It involves navigating diverse knowledge spaces and reasoning over complex, multi-step dependencies, which presents substantial challenges for agentic systems. To address this, we propose FlowSearch, a multi-agent framework that actively constructs and evolves a dynamic structured knowledge flow to drive subtask execution and reasoning. FlowSearch is capable of strategically planning and expanding the knowledge flow to enable parallel exploration and hierarchical task decomposition, while also adjusting the knowledge flow in real time based on feedback from intermediate reasoning outcomes and insights. FlowSearch achieves state-of-the-art performance on both general and scientific benchmarks, including GAIA, HLE, GPQA and TRQA, demonstrating its effectiveness in multi-disciplinary research scenarios and its potential to advance scientific discovery. The code is available at https://github.com/Alpha-Innovator/InternAgent.

Structure-based drug design (SBDD) aims to efficiently discover high-affinity ligands within vast chemical spaces. However, current generative models struggle with objective misalignment and rigid sampling budgets. We present MolFORM, a fast multi-modal flow matching framework for discrete atom types and continuous coordinates. Crucially, to bridge the gap between generative capability and biochemical objectives, we introduce two distinct post-training strategies: (1) Direct Preference Optimization (DPO), which performs offline alignment using ranked preference pairs; and (2) an online reinforcement learning paradigm that optimizes the generative flow directly on the forward process. Both strategies effectively navigate the chemical space toward high-affinity regions. MolFORM achieves state-of-the-art results on the CrossDocked2020 benchmark (Vina Score -7.60, Diversity 0.75), demonstrating that incorporating preference alignment mechanisms-whether via offline optimization or online reinforcement-is crucial for steering generative models toward high-affinity binding regions. The source code for MolFORM is publicly available at https://github.com/daiheng-zhang/SBDD-MolFORM.

Standard flow matching scales well but typically relies on an unstructured source distribution, limiting its ability to learn interpretable latent structure. Latent-variable models, by contrast, capture structure but often sacrifice generative quality. We bridge this gap by proposing Structured Coupling for Flow Matching (SCFM), a cooperative framework that augments flow matching with structured latent representation learning. By introducing structured latent variables and exogenous noise into the source, SCFM jointly learns a structured prior (via latent variable modeling) and a continuous transport map (via flow matching). It uses a shared time-dependent recognition network for both latent variable model variational inference and intermediate-time flow velocity estimation. This yields a structurally informed yet unconditional, simulation-free flow model, where the latent variable model can also assist flow sampling. Empirically, SCFM facilitates unsupervised latent representation learning for clustering, disentanglement and downstream tasks, while remaining competitive with flow matching in sample quality, showing that meaningful structure can be learned without sacrificing generative fidelity.

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.

Infographics are an aesthetic visual representation of information following specific design principles of human perception. Designing infographics can be a tedious process for non-experts and time-consuming, even for professional designers. With the help of designers, we propose a semi-automated infographic framework for general structured and flow-based infographic design generation. For novice designers, our framework automatically creates and ranks infographic designs for a user-provided text with no requirement for design input. However, expert designers can still provide custom design inputs to customize the infographics. We will also contribute an individual visual group (VG) designs dataset (in SVG), along with a 1k complete infographic image dataset with segmented VGs in this work. Evaluation results confirm that by using our framework, designers from all expertise levels can generate generic infographic designs faster than existing methods while maintaining the same quality as hand-designed infographics templates.

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.

Agentic LLM frameworks that rely on prompted orchestration, where the model itself determines workflow transitions, often suffer from hallucinated routing, infinite loops, and non-reproducible execution. We introduce GraphBit, an engine-orchestrated framework that defines workflows explicitly and deterministically as a directed acyclic graph (DAG). Unlike prompted orchestration, agents in GraphBit operate as typed functions, while a Rust-based engine governs routing, state transitions, and tool invocation, ensuring reproducibility and auditability. The engine supports parallel branch execution, conditional control flow over structured state predicates, and configurable error recovery. A three-tier memory architecture consisting of ephemeral scratch space, structured state, and external connectors isolates context across stages, preventing cascading context bloat that degrades reasoning in long-running pipelines. Across GAIA benchmark tasks spanning zero-tool, document-augmented, and web-enabled workflows, GraphBit outperforms six existing frameworks, achieving the highest accuracy (67.6 percent), zero framework-induced hallucinations, the lowest latency (11.9 ms overhead), and the highest throughput. Ablation studies demonstrate that each memory tier contributes measurably to performance, with deterministic execution providing the greatest gains on tool-intensive tasks representative of real-world deployments.

Recent flow matching models for text-to-image generation have achieved remarkable quality, yet their integration with reinforcement learning for human preference alignment remains suboptimal, hindering fine-grained reward-based optimization. We observe that the key impediment to effective GRPO training of flow models is the temporal uniformity assumption in existing approaches: sparse terminal rewards with uniform credit assignment fail to capture the varying criticality of decisions across generation timesteps, resulting in inefficient exploration and suboptimal convergence. To remedy this shortcoming, we introduce TempFlow-GRPO (Temporal Flow GRPO), a principled GRPO framework that captures and exploits the temporal structure inherent in flow-based generation. TempFlow-GRPO introduces two key innovations: (i) a trajectory branching mechanism that provides process rewards by concentrating stochasticity at designated branching points, enabling precise credit assignment without requiring specialized intermediate reward models; and (ii) a noise-aware weighting scheme that modulates policy optimization according to the intrinsic exploration potential of each timestep, prioritizing learning during high-impact early stages while ensuring stable refinement in later phases. These innovations endow the model with temporally-aware optimization that respects the underlying generative dynamics, leading to state-of-the-art performance in human preference alignment and standard text-to-image benchmarks.

Addressing a structural-engineering request requires more than a single answer; it requires a chain of interdependent artifacts: interpreted requirements, a computable model, validation records, solver outputs, code-check records, and a final report. Evaluations centered on question answering or script generation rarely verify this complete evidence chain and may therefore reward fluent outputs even when the underlying engineering workflow is incomplete, internally inconsistent, or non-executable. To address this limitation, we present StructureClaw, an artifact-centered workbench in which LLM agents operate through governed engineering skills, typed tools, shared artifact state, and local analysis backends. We also introduce StructureClaw-Bench, an executable benchmark of 150 controlled scenarios spanning standard workflow execution, interactive robustness, and multimodal structural-model reconstruction. A scenario succeeds only when all required artifact- and execution-level assertions pass in a single run. Across ten agent-model configurations, each evaluated on the same 50 standard cases, the average Success Rate rises from 56.8% with the generic-skill baseline to 88.6% with the full automatic workflow. The interactive and multimodal evaluations identify two prominent remaining challenges: safe handling of invalid numerical inputs and fixture-consistent reconstruction of structural models. These findings show that artifact-centered evaluation can expose workflow-level failures that are difficult to identify from final responses alone, providing a more rigorous basis for evaluating and improving structural-engineering agents. The code and benchmark are available at https://github.com/structureclaw/structureclaw.

Flow-based methods have achieved significant success in various generative modeling tasks, capturing nuanced details within complex data distributions. However, few existing works have exploited this unique capability to resolve fine-grained structural details beyond generation tasks. This paper presents a flow-inspired framework for representation learning. First, we demonstrate that a rectified flow trained using independent coupling is zero everywhere at t=0.5 if and only if the source and target distributions are identical. We term this property the zero-flow criterion. Second, we show that this criterion can certify conditional independence, thereby extracting sufficient information from the data. Third, we translate this criterion into a tractable, simulation-free loss function that enables learning amortized Markov blankets in graphical models and latent representations in self-supervised learning tasks. Experiments on both simulated and real-world datasets demonstrate the effectiveness of our approach. The code reproducing our experiments can be found at: https://github.com/probabilityFLOW/zfe.

Automated analysis for engineering structures offers considerable potential for boosting efficiency by minimizing repetitive tasks. Although AI-driven methods are increasingly common, no systematic framework yet leverages Large Language Models (LLMs) for automatic structural analysis. To address this gap, we propose a novel framework that integrates LLMs with structural analysis software. LLMs serve as the core engine: they parse structural descriptions from text and translate them into executable Python scripts. Moreover, the framework integrates the generative capabilities of LLMs with code-based finite element (FE) tools like OpenSeesPy. It employs domain-specific prompt design and in-context learning strategies to enhance the LLM's problem-solving capabilities and generative stability, enabling fully automated structural analysis from descriptive text to model outputs. In our experiments, we introduce a well-curated small-scale benchmark dataset of 20 structural analysis word problems (SAWPs) with ground-truth solutions and evaluate the performance of different LLMs within our framework in solving these SAWPs. The role of system instructions, crafted by structural engineers, is also investigated to understand their impact on LLM-driven structural analysis. Additionally, the generative stability of our framework is examined. Through multiple validation experiments on the benchmark, our results demonstrate that the proposed framework can substantially increase the level of automation in solving SAWPs compared to traditional methods. Quantitatively, the framework, built on GPT-4o, achieved 100% accuracy, surpassing GPT-4 (85%), Gemini 1.5 Pro (80%), and Llama-3.3 (30%) on the test examples. Furthermore, integrating domain-specific instructions enhanced performance by 30% on problems with asymmetrical structural configurations.

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.

The discovery of extremal structures in mathematics requires navigating vast and nonconvex landscapes where analytical methods offer little guidance and brute-force search becomes intractable. We introduce FlowBoost, a closed-loop generative framework that learns to discover rare and extremal geometric structures by combining three components: (i) a geometry-aware conditional flow-matching model that learns to sample high-quality configurations, (ii) reward-guided policy optimization with action exploration that directly optimizes the generation process toward the objective while maintaining diversity, and (iii) stochastic local search for both training-data generation and final refinement. Unlike prior open-loop approaches, such as PatternBoost that retrains on filtered discrete samples, or AlphaEvolve which relies on frozen Large Language Models (LLMs) as evolutionary mutation operators, FlowBoost enforces geometric feasibility during sampling, and propagates reward signal directly into the generative model, closing the optimization loop and requiring much smaller training sets and shorter training times, and reducing the required outer-loop iterations by orders of magnitude, while eliminating dependence on LLMs. We demonstrate the framework on four geometric optimization problems: sphere packing in hypercubes, circle packing maximizing sum of radii, the Heilbronn triangle problem, and star discrepancy minimization. In several cases, FlowBoost discovers configurations that match or exceed the best known results. For circle packings, we improve the best known lower bounds, surpassing the LLM-based system AlphaEvolve while using substantially fewer computational resources.

Large language model (LLM)-based agents are widely deployed in user-facing services but remain error-prone in new tasks, tend to repeat the same failure patterns, and show substantial run-to-run variability. Fixing failures via environment-specific training or manual patching is costly and hard to scale. To enable self-evolving agents in user-facing service environments, we propose WISE-Flow, a workflow-centric framework that converts historical service interactions into reusable procedural experience by inducing workflows with prerequisite-augmented action blocks. At deployment, WISE-Flow aligns the agent's execution trajectory to retrieved workflows and performs prerequisite-aware feasibility reasoning to achieve state-grounded next actions. Experiments on ToolSandbox and τ^2-bench show consistent improvement across base models.

Diffusion models achieve strong generative performance but often rely on large datasets that may include sensitive content. This challenge is compounded by the models' tendency to memorize training data, raising privacy concerns. SFBD (Lu et al., 2025) addresses this by training on corrupted data and using limited clean samples to capture local structure and improve convergence. However, its iterative denoising and fine-tuning loop requires manual coordination, making it burdensome to implement. We reinterpret SFBD as an alternating projection algorithm and introduce a continuous variant, SFBD flow, that removes the need for alternating steps. We further show its connection to consistency constraint-based methods, and demonstrate that its practical instantiation, Online SFBD, consistently outperforms strong baselines across benchmarks.

The dominant paradigm for building LLM based agents is the Agent Loop, an iterative cycle where a single language model decides what to do next by reading an ever growing context window. This paradigm has three structural weaknesses: implicit dependencies between steps, unbounded recovery loops, and mutable execution history that complicates debugging. We characterize the Agent Loop as a single ready unit scheduler: at any moment, at most one executable unit is active, and the choice of which unit to activate comes from opaque LLM inference rather than an inspectable policy. This perspective places Agent Loops and graph based execution engines on a single semantic continuum. We propose SGH, Structured Graph Harness, which lifts control flow from implicit context into an explicit static DAG. SGH makes three commitments: execution plans are immutable within a plan version, planning execution and recovery are separated into three layers, and recovery follows a strict escalation protocol. These choices trade some expressiveness for controllability, verifiability, and implementability. Our contributions are fourfold: a scheduler unified framework that applies classical scheduling theory to LLM agent execution and identifies challenges introduced by non deterministic LLM nodes; a trade off analysis of controllability, expressiveness, and implementability across 70 surveyed systems; a formal specification including a node state machine with termination and soundness guarantees; and an attributable experimental framework with a seven group design for future validation. This is a position paper and design proposal. We provide a theoretical framework, design analysis, and experimental protocol, not a production implementation or empirical results.

Deep generative models have shown promise for modeling metal-organic frameworks (MOFs), but existing approaches (1) rely on coarse-grained representations that assume fixed bond lengths and angles, and (2) neglect the MOF-adsorbate interactions, which are critical for downstream applications. We introduce AtomMOF, a scalable flow-based model built on an all-atom Diffusion Transformer that maps 2D molecular graphs of building blocks and adsorbates directly to equilibrium 3D structures without imposing structural constraints. We further present scaling laws for porous crystal generation, indicating predictable performance gains with increased model capacity, and introduce Feynman-Kac steering guided by machine-learned interatomic potentials to improve geometric validity and sampling stability. On the (MOF-only) BW dataset, AtomMOF increases the match rate by 35.00% and reduces RMSD by 32.64%. On the ODAC25 dataset (MOF-adsorbate), AtomMOF is substantially more sample-efficient than grand canonical Monte Carlo in recovering adsorption configurations and can identify candidates with lower adsorption energies than the reference dataset. Code is available at https://github.com/nayoung10/AtomMOF.

Structure-Based molecule optimization (SBMO) aims to optimize molecules with both continuous coordinates and discrete types against protein targets. A promising direction is to exert gradient guidance on generative models given its remarkable success in images, but it is challenging to guide discrete data and risks inconsistencies between modalities. To this end, we leverage a continuous and differentiable space derived through Bayesian inference, presenting Molecule Joint Optimization (MolJO), the gradient-based SBMO framework that facilitates joint guidance signals across different modalities while preserving SE(3)-equivariance. We introduce a novel backward correction strategy that optimizes within a sliding window of the past histories, allowing for a seamless trade-off between explore-and-exploit during optimization. MolJO achieves state-of-the-art performance on CrossDocked2020 benchmark (Success Rate 51.3%, Vina Dock -9.05 and SA 0.78), more than 4x improvement in Success Rate compared to the gradient-based counterpart, and 2x "Me-Better" Ratio as much as 3D baselines. Furthermore, we extend MolJO to a wide range of optimization settings, including multi-objective optimization and challenging tasks in drug design such as R-group optimization and scaffold hopping, further underscoring its versatility. Code is available at https://github.com/AlgoMole/MolCRAFT.

Human motion generation is often learned in Euclidean spaces, although valid motions follow structured non-Euclidean geometry. We present Riemannian Motion Generation (RMG), a unified framework that represents motion on a product manifold and learns dynamics via Riemannian flow matching. RMG factorizes motion into several manifold factors, yielding a scale-free representation with intrinsic normalization, and uses geodesic interpolation, tangent-space supervision, and manifold-preserving ODE integration for training and sampling. On HumanML3D, RMG achieves state-of-the-art FID in the HumanML3D format (0.043) and ranks first on all reported metrics under the MotionStreamer format. On MotionMillion, it also surpasses strong baselines (FID 5.6, R@1 0.86). Ablations show that the compact T+R (translation + rotations) representation is the most stable and effective, highlighting geometry-aware modeling as a practical and scalable route to high-fidelity motion generation.

Inversion-free image editing using flow-based generative models challenges the prevailing inversion-based pipelines. However, existing approaches rely on fixed Gaussian noise to construct the source trajectory, leading to biased trajectory dynamics and causing structural degradation or quality loss. To address this, we introduce SNR-Edit, a training-free framework achieving faithful Latent Trajectory Correction via adaptive noise control. Mechanistically, SNR-Edit uses structure-aware noise rectification to inject segmentation constraints into the initial noise, anchoring the stochastic component of the source trajectory to the real image's implicit inversion position and reducing trajectory drift during source--target transport. This lightweight modification yields smoother latent trajectories and ensures high-fidelity structural preservation without requiring model tuning or inversion. Across SD3 and FLUX, evaluations on PIE-Bench and SNR-Bench show that SNR-Edit delivers performance on pixel-level metrics and VLM-based scoring, while adding only about 1s overhead per image.

Discrete image tokenizers have emerged as a key component of modern vision and multimodal systems, providing a sequential interface for transformer-based architectures. However, most existing approaches remain primarily optimized for reconstruction and compression, often yielding tokens that capture local texture rather than object-level semantic structure. Inspired by the incremental and compositional nature of human communication, we introduce COMmunication inspired Tokenization (COMiT), a framework for learning structured discrete visual token sequences. COMiT constructs a latent message within a fixed token budget by iteratively observing localized image crops and recurrently updating its discrete representation. At each step, the model integrates new visual information while refining and reorganizing the existing token sequence. After several encoding iterations, the final message conditions a flow-matching decoder that reconstructs the full image. Both encoding and decoding are implemented within a single transformer model and trained end-to-end using a combination of flow-matching reconstruction and semantic representation alignment losses. Our experiments demonstrate that while semantic alignment provides grounding, attentive sequential tokenization is critical for inducing interpretable, object-centric token structure and substantially improving compositional generalization and relational reasoning over prior methods.

Building Task-Oriented Dialogue (TOD) systems that generalize across different tasks remains a challenging problem. Data-driven approaches often struggle to transfer effectively to unseen tasks. While recent schema-based TOD frameworks improve generalization by decoupling task logic from language understanding, their reliance on neural or generative models often obscures how task schemas influence behaviour and hence impair interpretability. In this work, we introduce a novel framework, CoDial (Code for Dialogue), at the core of which is converting a predefined task schema to a structured heterogeneous graph and then to programmatic LLM guardrailing code, such as NVIDIA's Colang. The pipeline enables efficient and interpretable alignment of dialogue policies during inference. We introduce two paradigms for LLM guardrailing code generation, CoDial_{free} and CoDial_{structured}, and propose a mechanism that integrates human feedback to iteratively improve the generated code. Empirically, CoDial achieves state-of-the-art (SOTA) performance on the widely used benchmark datasets, while providing inherent interpretability in the design. We additionally demonstrate CoDial's iterative improvement via manual and LLM-aided feedback, making it a practical tool for human-guided alignment of LLMs in unseen domains.

We introduce **SWE-Flow**, a novel data synthesis framework grounded in Test-Driven Development (TDD). Unlike existing software engineering data that rely on human-submitted issues, **SWE-Flow** automatically infers incremental development steps directly from unit tests, which inherently encapsulate high-level requirements. The core of **SWE-Flow** is the construction of a Runtime Dependency Graph (RDG), which precisely captures function interactions, enabling the generation of a structured, step-by-step *development schedule*. At each step, **SWE-Flow** produces a partial codebase, the corresponding unit tests, and the necessary code modifications, resulting in fully verifiable TDD tasks. With this approach, we generated 16,061 training instances and 2,020 test instances from real-world GitHub projects, creating the **SWE-Flow-Eval** benchmark. Our experiments show that fine-tuning open model on this dataset significantly improves performance in TDD-based coding. To facilitate further research, we release all code, datasets, models, and Docker images at [Github](https://github.com/Hambaobao/SWE-Flow).

All-atom generative modeling of 3D biomolecular complexes has emerged as the dominant paradigm for predicting the structure of proteins and protein-ligand systems. Generating structures at the atomic level of fidelity, however, typically requires expensive iterative diffusion rollouts, making both conventional deployment and inference-time search techniques computationally costly. In this paper, we introduce the Denoiser Cofolding All-Atom Flowmap (DeCAF) framework for distilling state-of-the-art all-atom cofolding models into all-atom flow maps that produce high-quality samples in only a few inference steps. We build DeCAF on a denoiser-based formulation of flow maps with endpoint losses that naturally support SE(3) rigid alignment, which we show is critical for training accurate models. We further derive a simple change of variables that lets DeCAF operate in the σ-space noise schedule of EDM-style architectures, enabling direct distillation from pretrained cofolding diffusion models. Equipped with DeCAF's flowmap lookahead, we introduce a purpose-built inference-time framework that improves sampling through reward-guided search. Empirically, DeCAF-Boltz statistically improves over Boltz-1x in both accuracy (RMSD) and physical validity scores of protein-ligand poses at strict NFE budgets on the challenging Runs N' Poses, while also showing a more optimal Pareto frontier across all inference compute budgets on PoseBusters. Distilling the state-of-the-art Pearl cofolding model, DeCAF-Pearl outperforms diffusion-based cofolding models and matches its teacher on success rate while using 5x fewer NFEs. We release our code at https://github.com/genesistherapeutics/decaf.

Text-based image segmentation aims to delineate object boundaries within an image from text prompts, offering higher flexibility and broader application scope compared to traditional fixed-category segmentation tasks. Recent studies have shown that diffusion models (e.g., Stable Diffusion) can provide rich multimodal semantic features, leading to studies of using diffusion models as feature extractors for segmentation tasks. Such methods, however, inherit the generative natures of diffusion models that are harmful to discriminative segmentation tasks. In response, we propose RLFSeg, a novel framework that leverages Rectified Flow to learn direct mapping from the image to the segmentation mask within the latent space. The model is thus freed from the noise-denoise process and the need to optimize the time step of diffusion models, resulting in substantially better performance than previous diffusion-based methods, especially on zero-shot scenarios. By introducing label refinement and an Adaptive One-Step Sampling strategy, the model achieves higher accuracy even on a single inference step. The framework redirects a pretrained generative model to the discriminative segmentation task with zero modification to model structure, thus reveals promising application potential and significant research value.

Large Language Model (LLM) personas with explicit specifications of attributes, background, and behavioural tendencies are increasingly used to simulate human conversations for tasks such as user modeling, social reasoning, and behavioural analysis. Ensuring that persona-grounded simulations faithfully reflect human conversational behaviour is therefore critical. However, current evaluation practices largely rely on LLM-as-a-judge approaches, offering limited grounding in observable human behavior and producing opaque scalar scores. We address this gap by proposing Eval4Sim, an evaluation framework that measures how closely simulated conversations align with human conversational patterns across three complementary dimensions. Adherence captures how effectively persona backgrounds are implicitly encoded in generated utterances, assessed via dense retrieval with speaker-aware representations. Consistency evaluates whether a persona maintains a distinguishable identity across conversations, computed through authorship verification. Naturalness reflects whether conversations exhibit human-like flow rather than overly rigid or optimized structure, quantified through distributions derived from dialogue-focused Natural Language Inference. Unlike absolute or optimization-oriented metrics, Eval4Sim uses a human conversational corpus (i.e., PersonaChat) as a reference baseline and penalizes deviations in both directions, distinguishing insufficient persona encoding from over-optimized, unnatural behaviour. Although demonstrated on PersonaChat, the applicability of Eval4Sim extends to any conversational corpus containing speaker-level annotations.

Existing 3D editing methods rely on computationally intensive scene-by-scene iterative optimization and suffer from multi-view inconsistency. We propose an effective and feed-forward 3D editing framework based on the TRELLIS generative backbone, capable of modifying 3D models from a single editing view. Our framework addresses two key issues: adapting training-free 2D editing to structured 3D representations, and overcoming the bottleneck of appearance fidelity in compressed 3D features. To ensure geometric consistency, we introduce Voxel FlowEdit, an edit-driven flow in the sparse voxel latent space that achieves globally consistent 3D deformation in a single pass. To restore high-fidelity details, we develop a normal-guided single to multi-view generation module as an external appearance prior, successfully recovering high-frequency textures. Experiments demonstrate that our method enables fast, globally consistent, and high-fidelity 3D model editing.

Generative Flow Networks (GFlowNets) have recently emerged as a suitable framework for generating diverse and high-quality molecular structures by learning from rewards treated as unnormalized distributions. Previous works in this framework often restrict exploration by using predefined molecular fragments as building blocks, limiting the chemical space that can be accessed. In this work, we introduce Atomic GFlowNets (A-GFNs), a foundational generative model leveraging individual atoms as building blocks to explore drug-like chemical space more comprehensively. We propose an unsupervised pre-training approach using drug-like molecule datasets, which teaches A-GFNs about inexpensive yet informative molecular descriptors such as drug-likeliness, topological polar surface area, and synthetic accessibility scores. These properties serve as proxy rewards, guiding A-GFNs towards regions of chemical space that exhibit desirable pharmacological properties. We further implement a goal-conditioned finetuning process, which adapts A-GFNs to optimize for specific target properties. In this work, we pretrain A-GFN on a subset of ZINC dataset, and by employing robust evaluation metrics we show the effectiveness of our approach when compared to other relevant baseline methods for a wide range of drug design tasks. The code is accessible at https://github.com/diamondspark/AGFN.

Crystalline materials are a fundamental component in next-generation technologies, yet modeling their distribution presents unique computational challenges. Of the plausible arrangements of atoms in a periodic lattice only a vanishingly small percentage are thermodynamically stable, which is a key indicator of the materials that can be experimentally realized. Two fundamental tasks in this area are to (a) predict the stable crystal structure of a known composition of elements and (b) propose novel compositions along with their stable structures. We present FlowMM, a pair of generative models that achieve state-of-the-art performance on both tasks while being more efficient and more flexible than competing methods. We generalize Riemannian Flow Matching to suit the symmetries inherent to crystals: translation, rotation, permutation, and periodic boundary conditions. Our framework enables the freedom to choose the flow base distributions, drastically simplifying the problem of learning crystal structures compared with diffusion models. In addition to standard benchmarks, we validate FlowMM's generated structures with quantum chemistry calculations, demonstrating that it is about 3x more efficient, in terms of integration steps, at finding stable materials compared to previous open methods.

Text image super-resolution (Text-SR) requires more than visually plausible detail synthesis: slight errors in stroke topology may alter character identity and break readability. Existing methods improve text fidelity with stronger recognition-based or generative priors, yet they still face two unresolved challenges under severe degradation: the text condition extracted from low-quality inputs can itself be unreliable, and a plausible global prior does not fully determine fine-grained stroke boundaries. We present PRISM, a single-step diffusion-based Text-SR framework that addresses these two challenges through Flow-Matching Prior Rectification (FMPR) and a Structure-guided Uncertainty-aware Residual Encoder (SURE). FMPR constructs a privileged training-time prior from paired low-quality/high-quality latents and learns a flow matching that transports degraded embeddings toward this restoration-oriented prior space, yielding more accurate and reliable global text guidance. SURE further predicts uncertainty-aware structural residuals to selectively absorb reliable local boundary evidence while suppressing ambiguous stroke cues. Together, these components enable explicit global prior rectification and local structure refinement within a single diffusion restoration pass. Experiments on both synthetic and real-world benchmarks show that PRISM achieves state-of-the-art performance with millisecond-level inference. Our dataset and code will be available at https://github.com/faithxuz/PRISM.

We present protein autoregressive modeling (PAR), the first multi-scale autoregressive framework for protein backbone generation via coarse-to-fine next-scale prediction. Using the hierarchical nature of proteins, PAR generates structures that mimic sculpting a statue, forming a coarse topology and refining structural details over scales. To achieve this, PAR consists of three key components: (i) multi-scale downsampling operations that represent protein structures across multiple scales during training; (ii) an autoregressive transformer that encodes multi-scale information and produces conditional embeddings to guide structure generation; (iii) a flow-based backbone decoder that generates backbone atoms conditioned on these embeddings. Moreover, autoregressive models suffer from exposure bias, caused by the training and the generation procedure mismatch, and substantially degrades structure generation quality. We effectively alleviate this issue by adopting noisy context learning and scheduled sampling, enabling robust backbone generation. Notably, PAR exhibits strong zero-shot generalization, supporting flexible human-prompted conditional generation and motif scaffolding without requiring fine-tuning. On the unconditional generation benchmark, PAR effectively learns protein distributions and produces backbones of high design quality, and exhibits favorable scaling behavior. Together, these properties establish PAR as a promising framework for protein structure generation.

Token-level credit assignment remains a key obstacle for reinforcement learning (RL) in large language models (LLMs), where RL recipes typically treat all tokens equally, failing to distinguish decisive reasoning steps from routine formatting or fluent filler. Recent attempts leverage model-internal signals to assign finer-grained credit, but these are often point-wise heuristics that ignore the global structure of information propagation. We propose FlowTracer, an RL framework that traces answer-targeted reasoning flow on an attention-induced directed acyclic graph in which nodes correspond to tokens and edge capacities come from aggregated attention weights and derives token credit from this global structure. The edge capacities are reweighted to retain only the influence that can reach the answer region, while enforcing local flow conservation so intermediate tokens neither lose nor gain effective mass due to path length or irrelevant branches. On this graph, FlowTracer extracts an information-flow backbone connecting the question to the answer and scores tokens by flow throughput, revealing high-impact hubs and aggregation checkpoints that mediate long-range dependencies. These derived importances are used to shape token-level rewards, enabling learning signals to focus precisely on the tokens that route information toward (or away from) correct answers and delivering consistent performance gains across a range of reasoning tasks.

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.

Reconstructing and tracking dynamic 3D scenes remains a fundamental challenge in computer vision. Existing approaches often decouple geometry from motion: multi-view reconstruction methods assume static scenes, while dynamic tracking frameworks rely on explicit camera pose estimation or separate motion models. We propose Flow4R, a unified framework that treats camera-space scene flow as the central representation linking 3D structure, object motion, and camera motion. Flow4R predicts a minimal per-pixel property set-3D point position, scene flow, pose weight, and confidence-from two-view inputs using a Vision Transformer. This flow-centric formulation allows local geometry and bidirectional motion to be inferred symmetrically with a shared decoder in a single forward pass, without requiring explicit pose regressors or bundle adjustment. Trained jointly on static and dynamic datasets, Flow4R achieves state-of-the-art performance on 4D reconstruction and tracking tasks, demonstrating the effectiveness of the flow-central representation for spatiotemporal scene understanding.

I introduce a novel mathematical framework integrating topological dynamics, operator algebras, and ergodic geometry to study lattices of asynchronous metric dynamical systems. Each node in the lattice carries an internal flow represented by a one-parameter family of operators, evolving on its own time scale. I formalize stratified state spaces capturing multiple levels of synchronized behavior, define an asynchronous evolution metric that quantifies phase-offset distances between subsystems, and characterize emergent coherent topologies arising when subsystems synchronize. Within this framework, I develop formal operators for the evolution of each subsystem and give precise conditions under which phase-aligned synchronization occurs across the lattice. The main results include: (1) the existence and uniqueness of coherent (synchronized) states under a contractive coupling condition, (2) stability of these coherent states and criteria for their emergence as a collective phase transition in a continuous operator topology, and (3) the influence of symmetries, with group-invariant coupling leading to flow-invariant synchrony subspaces and structured cluster dynamics. Proofs are given for each theorem, demonstrating full mathematical rigor. In a final section, I discuss hypothetical applications of this framework to symbolic lattice systems (e.g. subshifts), to invariant group actions on dynamical lattices, and to operator fields over stratified manifolds in the spirit of noncommutative geometry. Throughout, I write in the first person to emphasize the exploratory nature of this work. The paper avoids any reference to cosmology or observers, focusing instead on clean, formal mathematics suitable for a broad array of dynamical systems.

We present FrameFlow, a method for fast protein backbone generation using SE(3) flow matching. Specifically, we adapt FrameDiff, a state-of-the-art diffusion model, to the flow-matching generative modeling paradigm. We show how flow matching can be applied on SE(3) and propose modifications during training to effectively learn the vector field. Compared to FrameDiff, FrameFlow requires five times fewer sampling timesteps while achieving two fold better designability. The ability to generate high quality protein samples at a fraction of the cost of previous methods paves the way towards more efficient generative models in de novo protein design.

We introduce a framework for generating highly multimodal datasets with explicitly calculable mutual information between modalities. This enables the construction of benchmark datasets that provide a novel testbed for systematic studies of mutual information estimators and multimodal self-supervised learning techniques. Our framework constructs realistic datasets with known mutual information using a flow-based generative model and a structured causal framework for generating correlated latent variables.

Existing alignment methods share a common topology of information flow, where reward information is collected from humans, modeled with preference learning, and used to tune language models. However, this shared topology has not been systematically characterized, nor have its alternatives been thoroughly explored, leaving the problems of low data efficiency and unreliable generalization unaddressed. As a solution, we introduce a theoretical framework for investigating reward generalization in reinforcement learning from human feedback (RLHF), focusing on the topology of information flow at both macro and micro levels. At the macro level, we portray the RLHF information flow as an autoencoding process over behavior distributions, formalizing the RLHF objective of distributional consistency between human preference and model behavior. At the micro level, we present induced Bayesian networks as a theory of reward generalization in RLHF, introducing fine-grained dataset topologies into generalization bounds. Combining analysis on both levels, we propose reward modeling from tree-structured preference information. It is shown to reduce reward uncertainty by up to Theta(log n/loglog n) times compared to baselines, where n is the dataset size. Validation on three NLP tasks shows that our tree-based reward model achieves an average win rate of 65% against baseline methods, thus improving reward generalization for free via topology design.

Language-model agent systems commonly rely on reactive prompting, in which a single instruction guides the model through an open-ended sequence of reasoning and tool-use steps, leaving control flow and intermediate state implicit and making agent behavior potentially difficult to control. Orchestration frameworks such as LangGraph, DSPy, and CrewAI impose greater structure through explicit workflow definitions, but tightly couple workflow logic with Python, making agents difficult to maintain and modify. In this paper, we introduce AgentSPEX, an Agent SPecification and EXecution Language for specifying LLM-agent workflows with explicit control flow and modular structure, along with a customizable agent harness. AgentSPEX supports typed steps, branching and loops, parallel execution, reusable submodules, and explicit state management, and these workflows execute within an agent harness that provides tool access, a sandboxed virtual environment, and support for checkpointing, verification, and logging. Furthermore, we provide a visual editor with synchronized graph and workflow views for authoring and inspection. We include ready-to-use agents for deep research and scientific research, and we evaluate AgentSPEX on 7 benchmarks. Finally, we show through a user study that AgentSPEX provides a more interpretable and accessible workflow-authoring paradigm than a popular existing agent framework.

Recent advances in large language models (LLMs) have given rise to powerful coding agents, making it possible for code assistants to evolve into code engineers. However, existing methods still face significant challenges in achieving high-fidelity document-to-codebase synthesis--such as scientific papers to code--primarily due to a fundamental conflict between information overload and the context bottlenecks of LLMs. In this work, we introduce DeepCode, a fully autonomous framework that fundamentally addresses this challenge through principled information-flow management. By treating repository synthesis as a channel optimization problem, DeepCode seamlessly orchestrates four information operations to maximize task-relevant signals under finite context budgets: source compression via blueprint distillation, structured indexing using stateful code memory, conditional knowledge injection via retrieval-augmented generation, and closed-loop error correction. Extensive evaluations on the PaperBench benchmark demonstrate that DeepCode achieves state-of-the-art performance, decisively outperforming leading commercial agents such as Cursor and Claude Code, and crucially, surpassing PhD-level human experts from top institutes on key reproduction metrics. By systematically transforming paper specifications into production-grade implementations comparable to human expert quality, this work establishes new foundations for autonomous scientific reproduction that can accelerate research evaluation and discovery.

Flow-matching methods for 3D shape assembly learn point-wise velocity fields that transport parts toward assembled configurations, yet they receive no explicit guidance about which cross-part interactions should drive the motion. We introduce TORA, a topology-first representation alignment framework that distills relational structure from a frozen pretrained 3D encoder into the flow-matching backbone during training. We first realize this via simple instantiation, token-wise cosine matching, which injects the learned geometric descriptors from the teacher representation. We then extend to employ a Centered Kernel Alignment (CKA) loss to match the similarity structure between student and teacher representations for enhanced topological alignment. Through systematic probing of diverse 3D encoders, we show that geometry- and contact-centric teacher properties, not semantic classification ability, govern alignment effectiveness, and that alignment is most beneficial at later transformer layers where spatial structure naturally emerges. TORA introduces zero inference overhead while yielding two consistent benefits: faster convergence (up to 6.9times) and improved accuracy in-distribution, along with greater robustness under domain shift. Experiments on five benchmarks spanning geometric, semantic, and inter-object assembly demonstrate state-of-the-art performance, with particularly pronounced gains in zero-shot transfer to unseen real-world and synthetic datasets. Project page: https://nahyuklee.github.io/tora.

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.

We propose PROSE-FD, a zero-shot multimodal PDE foundational model for simultaneous prediction of heterogeneous two-dimensional physical systems related to distinct fluid dynamics settings. These systems include shallow water equations and the Navier-Stokes equations with incompressible and compressible flow, regular and complex geometries, and different buoyancy settings. This work presents a new transformer-based multi-operator learning approach that fuses symbolic information to perform operator-based data prediction, i.e. non-autoregressive. By incorporating multiple modalities in the inputs, the PDE foundation model builds in a pathway for including mathematical descriptions of the physical behavior. We pre-train our foundation model on 6 parametric families of equations collected from 13 datasets, including over 60K trajectories. Our model outperforms popular operator learning, computer vision, and multi-physics models, in benchmark forward prediction tasks. We test our architecture choices with ablation studies.

Flow-based 3D generation models typically require dozens of sampling steps during inference. Though few-step distillation methods, particularly Consistency Models (CMs), have achieved substantial advancements in accelerating 2D diffusion models, they remain under-explored for more complex 3D generation tasks. In this study, we propose a novel framework, MDT-dist, for few-step 3D flow distillation. Our approach is built upon a primary objective: distilling the pretrained model to learn the Marginal-Data Transport. Directly learning this objective needs to integrate the velocity fields, while this integral is intractable to be implemented. Therefore, we propose two optimizable objectives, Velocity Matching (VM) and Velocity Distillation (VD), to equivalently convert the optimization target from the transport level to the velocity and the distribution level respectively. Velocity Matching (VM) learns to stably match the velocity fields between the student and the teacher, but inevitably provides biased gradient estimates. Velocity Distillation (VD) further enhances the optimization process by leveraging the learned velocity fields to perform probability density distillation. When evaluated on the pioneer 3D generation framework TRELLIS, our method reduces sampling steps of each flow transformer from 25 to 1 or 2, achieving 0.68s (1 step x 2) and 0.94s (2 steps x 2) latency with 9.0x and 6.5x speedup on A800, while preserving high visual and geometric fidelity. Extensive experiments demonstrate that our method significantly outperforms existing CM distillation methods, and enables TRELLIS to achieve superior performance in few-step 3D generation.

We present Muses, the first training-free method for fantastic 3D creature generation in a feed-forward paradigm. Previous methods, which rely on part-aware optimization, manual assembly, or 2D image generation, often produce unrealistic or incoherent 3D assets due to the challenges of intricate part-level manipulation and limited out-of-domain generation. In contrast, Muses leverages the 3D skeleton, a fundamental representation of biological forms, to explicitly and rationally compose diverse elements. This skeletal foundation formalizes 3D content creation as a structure-aware pipeline of design, composition, and generation. Muses begins by constructing a creatively composed 3D skeleton with coherent layout and scale through graph-constrained reasoning. This skeleton then guides a voxel-based assembly process within a structured latent space, integrating regions from different objects. Finally, image-guided appearance modeling under skeletal conditions is applied to generate a style-consistent and harmonious texture for the assembled shape. Extensive experiments establish Muses' state-of-the-art performance in terms of visual fidelity and alignment with textual descriptions, and potential on flexible 3D object editing. Project page: https://luhexiao.github.io/Muses.github.io/.

We propose a unified, few-step generative modeling framework based on cumulative flow maps for long-range transport in probability space, inspired by flow-map techniques for physical transport and dynamics. At its core is a cumulative-flow abstraction that connects local, instantaneous updates with finite-time transport, enabling generative models to reason about global state transitions. This perspective yields a unified few-step framework built on cumulative transport and cumulative parameterization that applies broadly to existing diffusion- and flow-based models without being tied to a specific prediction instantiation. Our formulation supports few-step and even one-step generation while preserving synthesis quality, requiring only minimal changes to time embeddings and training objectives, and no increase in model capacity. We demonstrate its effectiveness across diverse tasks, including image generation, geometric distribution modeling, joint prediction, and SDF generation, with reduced inference cost.

We introduce BCAT, a PDE foundation model designed for autoregressive prediction of solutions to two dimensional fluid dynamics problems. Our approach uses a block causal transformer architecture to model next frame predictions, leveraging previous frames as contextual priors rather than relying solely on sub-frames or pixel-based inputs commonly used in image generation methods. This block causal framework more effectively captures the spatial dependencies inherent in nonlinear spatiotemporal dynamics and physical phenomena. In an ablation study, next frame prediction demonstrated a 3.5x accuracy improvement over next token prediction. BCAT is trained on a diverse range of fluid dynamics datasets, including incompressible and compressible Navier-Stokes equations across various geometries and parameter regimes, as well as the shallow-water equations. The model's performance was evaluated on 6 distinct downstream prediction tasks and tested on about 8K trajectories to measure robustness on a variety of fluid dynamics simulations. BCAT achieved an average relative error of 1.18% across all evaluation tasks, outperforming prior approaches on standard benchmarks. With fine-tuning on a turbulence dataset, we show that the method adapts to new settings with more than 40% better accuracy over prior methods.

Large language model (LLM)-based systems are becoming increasingly popular for solving tasks by constructing executable workflows that interleave LLM calls, information retrieval, tool use, code execution, memory updates, and verification. This survey reviews recent methods for designing and optimizing such workflows, which we treat as agentic computation graphs (ACGs). We organize the literature based on when workflow structure is determined, where structure refers to which components or agents are present, how they depend on each other, and how information flows between them. This lens distinguishes static methods, which fix a reusable workflow scaffold before deployment, from dynamic methods, which select, generate, or revise the workflow for a particular run before or during execution. We further organize prior work along three dimensions: when structure is determined, what part of the workflow is optimized, and which evaluation signals guide optimization (e.g., task metrics, verifier signals, preferences, or trace-derived feedback). We also distinguish reusable workflow templates, run-specific realized graphs, and execution traces, separating reusable design choices from the structures actually deployed in a given run and from realized runtime behavior. Finally, we outline a structure-aware evaluation perspective that complements downstream task metrics with graph-level properties, execution cost, robustness, and structural variation across inputs. Our goal is to provide a clear vocabulary, a unified framework for positioning new methods, a more comparable view of existing body of literature, and a more reproducible evaluation standard for future work in workflow optimizations for LLM agents.

Structural modeling is a fundamental component of computational engineering science, in which even minor physical inconsistencies or specification violations may invalidate downstream simulations. The potential of large language models (LLMs) for automatic generation of modeling code has been demonstrated. However, non-executable or physically inconsistent outputs remain prevalent under stringent engineering constraints. A framework for physics-consistent automatic building modeling is therefore proposed, integrating domain knowledge construction, constraint-oriented model alignment, and verification-driven evaluation. CivilInstruct is introduced as a domain-specific dataset that formalizes structural engineering knowledge and constraint reasoning to enable simulation-ready model generation. A two-stage fine-tuning strategy is further employed to enforce constraint satisfaction and application programming interface compliance, substantially reducing hallucinated and non-conforming outputs. MBEval is presented as a verification-driven benchmark that evaluates executability and structural dynamics consistency through closed-loop validation. Experimental results show consistent improvements over baselines across rigorous verification metrics. Our code is available at https://github.com/Jovanqing/AutoBM.

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

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 suggest a new multi-modal algorithm for joint inference of paired structurally aligned samples with Rectified Flow models. While some existing methods propose a codependent generation process, they do not view the problem of joint generation from a structural alignment perspective. Recent work uses Score Distillation Sampling to generate aligned 3D models, but SDS is known to be time-consuming, prone to mode collapse, and often provides cartoonish results. By contrast, our suggested approach relies on the joint transport of a segment in the sample space, yielding faster computation at inference time. Our approach can be built on top of an arbitrary Rectified Flow model operating on the structured latent space. We show the applicability of our method to the domains of image, video, and 3D shape generation using state-of-the-art baselines and evaluate it against both editing-based and joint inference-based competing approaches. We demonstrate a high degree of structural alignment for the sample pairs obtained with our method and a high visual quality of the samples. Our method improves the state-of-the-art for image and video generation pipelines. For 3D generation, it is able to show comparable quality while working orders of magnitude faster.

Multi-agent systems built on large language models (LLMs) require many coordination choices that are difficult to fix a priori: which skill protocol to invoke, which agent role should perform a subtask, which model to bind to each role, how roles should interact, when to use retrieval or verification, and when to omit a step entirely. These choices interact with task regime and operational constraints, so static pipelines and one-off model comparisons provide only a limited view of the design space. This paper introduces AgensFlow, an open-source framework that treats multi-agent coordination as an online policy-learning problem under partial observability. The framework makes coordination decisions observable and learnable from repeated trajectories, rather than treating skill, role, model, topology, and evaluation choices as fixed pipeline design. AgensFlow is evaluated on two corpora: distributed-systems incident tasks and security-advisory tasks. The evaluation shows three main results: learned routing reaches a higher-quality operating point than a fixed pipeline baseline on coordination-heavy classes; skip:X isolates topology compression as a meaningful part of the substrate; and warm-started policy graphs can reduce exploration cost while preserving plateau quality. Overall, the results support that learned, auditable routing can improve coordination-heavy multi-agent workflows over static wiring.

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.

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.

Diffusion models excel in high-quality generation but suffer from slow inference due to iterative sampling. While recent methods have successfully transformed diffusion models into one-step generators, they neglect model size reduction, limiting their applicability in compute-constrained scenarios. This paper aims to develop small, efficient one-step diffusion models based on the powerful rectified flow framework, by exploring joint compression of inference steps and model size. The rectified flow framework trains one-step generative models using two operations, reflow and distillation. Compared with the original framework, squeezing the model size brings two new challenges: (1) the initialization mismatch between large teachers and small students during reflow; (2) the underperformance of naive distillation on small student models. To overcome these issues, we propose Annealing Reflow and Flow-Guided Distillation, which together comprise our SlimFlow framework. With our novel framework, we train a one-step diffusion model with an FID of 5.02 and 15.7M parameters, outperforming the previous state-of-the-art one-step diffusion model (FID=6.47, 19.4M parameters) on CIFAR10. On ImageNet 64times64 and FFHQ 64times64, our method yields small one-step diffusion models that are comparable to larger models, showcasing the effectiveness of our method in creating compact, efficient one-step diffusion models.

Aligning generative flow models on continuous spaces via online reinforcement learning is constrained by intractable trajectory likelihoods. Existing density-approximated policy gradient methods rely on stochastic SDE samplers to construct tractable transition kernels, which introduce training-inference inconsistencies and necessitates Classifier-Free Guidance (CFG). While implicit frameworks such as DiffusionNFT directly optimize forward-process velocity fields, its heuristic fixed-magnitude corrections prevent optimization strength from relative intra-group quality. We propose Flow Advantage-Weighted Rectification (FlowAWR), a paradigm that recasts continuous generative policy optimization as supervised regression toward a theoretically optimal velocity field. Starting from the optimal policy of a KL-constrained reward maximization, FlowAWR derives the optimal velocity field that admits a magnitude-aware, advantage-weighted rectification form, yielding SDE-free optimization and CFG-free generation. In comparative evaluations on SD3.5-Medium, FlowAWR achieves improved alignment performance alongside a 2times to 5times convergence acceleration over DiffusionNFT (e.g., reaching a 24.12 PickScore in 1.2k steps, versus 23.82 in 2.0k steps for DiffusionNFT and 23.50 in >4k steps for FlowGRPO). Under multi-reward constraints, FlowAWR sustains generation quality, satisfying structural rules while maintaining stable out-of-domain performance.

Machine learning (ML) is increasingly used in structural engineering and design, yet its broader adoption is hampered by the lack of openly accessible datasets of structural systems. We introduce BridgeNet, a publicly available graph-based dataset of 20,000 form-found bridge structures aimed at enabling Graph ML and multi-modal learning in the context of conceptual structural design. Each datapoint consists of (i) a pin-jointed equilibrium wireframe model generated with the Combinatorial Equilibrium Modeling (CEM) form-finding method, (ii) a volumetric 3D mesh obtained through force-informed materialization, and (iii) rendered images from two canonical camera angles. The resulting dataset is modality-rich and application-agnostic, supporting tasks such as CEM-specific edge classification and parameter inference, surrogate modeling of form-finding, cross-modal reconstruction between graphs, meshes and images, and generative structural design. BridgeNet addresses a key bottleneck in data-driven applications for structural engineering and design by providing a dataset that facilitates the development of new ML-based approaches for equilibrium bridge structures.

Aligning text-to-image flow matching models with human preferences via direct reward backpropagation is sample-efficient but hampered by two well-known pathologies: activations cannot be stored across the full sampling trajectory at modern model scale, and chained Jacobian products across steps inflate the reward gradient as it travels back to early indices. Connector-based methods, such as LeapAlign, address these issues by replacing the full backward trajectory with a short pinned path, highlighting a useful decoupling between sampling and optimization. However, the quality of the resulting gradient depends on how accurately this short path approximates the full rollout, especially over long intervals. We propose FlowBP, a unified surrogate-trajectory framework that treats the backward trajectory itself as the design object. FlowBP keeps a no-gradient cached rollout for sampling, then builds a lightweight backward surrogate from cached and selectively re-forwarded velocities. This view separates four choices: the reward-model input, active set, integration weights, and bridge coupling, and recovers prior direct-gradient methods as particular settings. Within this framework, we instantiate three variants: FlowBP-Sparse uses sparse Euler reconstruction, FlowBP-Bridge adds controlled bridge coupling, and FlowBP-Lagrange raises the order of leap quadrature. All three bound memory by the active-set size and limit gradient chaining to at most one Jacobian factor. Across SD3.5-M, FLUX.1-dev, and FLUX.2-Klein-base on preference, quality, and compositional metrics, the three variants improve over direct-gradient baselines on most metrics.

At the core of modern generative modeling frameworks, including diffusion models, score-based models, and flow matching, is the task of transforming a simple prior distribution into a complex target distribution through stochastic paths in probability space. Schrödinger bridges provide a unifying principle underlying these approaches, framing the problem as determining an optimal stochastic bridge between marginal distribution constraints with minimal-entropy deviations from a pre-defined reference process. This guide develops the mathematical foundations of the Schrödinger bridge problem, drawing on optimal transport, stochastic control, and path-space optimization, and focuses on its dynamic formulation with direct connections to modern generative modeling. We build a comprehensive toolkit for constructing Schrödinger bridges from first principles, and show how these constructions give rise to generalized and task-specific computational methods.

Structural vibrations are a source of unwanted noise in engineering systems like cars, trains or airplanes. Minimizing these vibrations is crucial for improving passenger comfort. This work presents a novel design optimization approach based on guided flow matching for reducing vibrations by placing beadings (indentations) in plate-like structures. Our method integrates a generative flow matching model and a surrogate model trained to predict structural vibrations. During the generation process, the flow matching model pushes towards manufacturability while the surrogate model pushes to low-vibration solutions. The flow matching model and its training data implicitly define the design space, enabling a broader exploration of potential solutions as no optimization of manually-defined design parameters is required. We apply our method to a range of differentiable optimization objectives, including direct optimization of specific eigenfrequencies through careful construction of the objective function. Results demonstrate that our method generates diverse and manufacturable plate designs with reduced structural vibrations compared to designs from random search, a criterion-based design heuristic and genetic optimization. The code and data are available from https://github.com/ecker-lab/Optimizing_Vibrating_Plates.

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.

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

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.

Recent LLM-based agents have closed substantial portions of the scientific discovery loop in software-only machine-learning research, in chemistry, and in biology. Extending the same loop to high-fidelity physical simulators is harder, because solver completion does not imply physical validity and many failure modes appear only in field-level imagery rather than in solver logs. We present AI CFD Scientist, an open-source AI scientist for computational fluid dynamics (CFD) that, to our knowledge, is the first to span literature-grounded ideation, validated execution, vision-based physics verification, source-code modification, and figure-grounded writing within a single inspectable workflow. Three coupled pathways cover parameter sweeps within a fixed solver, case-local C++ library compilation for new physical models, and open-ended hypothesis search against a reference comparator, all running on OpenFOAM through Foam-Agent. At the center of the framework is a vision-language physics-verification gate that inspects rendered flow fields before any result is accepted, rerun, or written into a manuscript. On five tasks under a shared GPT-5.5 backbone, AI CFD Scientist autonomously discovers a Spalart-Allmaras runtime correction that reduces lower-wall Cf RMSE against DNS by 7.89% on the periodic hill at Reh=5600; under matched LLM cost, two strong general AI-scientist baselines (ARIS, DeepScientist) execute partial CFD workflows but lack the domain-specific validity gates needed to convert runs into defensible scientific claims; and a controlled planted-failure ablation shows that the vision-language gate detects 14 of 16 silent failures missed by solver-level checks. Code, prompts, and run artifacts are released at https://github.com/csml-rpi/cfd-scientist.

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).

Neural surrogates and operator networks for solving partial differential equation (PDE) problems have attracted significant research interest in recent years. However, most existing approaches are limited in their ability to generalize solutions across varying non-parametric geometric domains. In this work, we address this challenge in the context of Polyethylene Terephthalate (PET) bottle buckling analysis, a representative packaging design problem conventionally solved using computationally expensive finite element analysis (FEA). We introduce a hybrid DeepONet-Transolver framework that simultaneously predicts nodal displacement fields and the time evolution of reaction forces during top load compression. Our methodology is evaluated on two families of bottle geometries parameterized by two and four design variables. Training data is generated using nonlinear FEA simulations in Abaqus for 254 unique designs per family. The proposed framework achieves mean relative L^{2} errors of 2.5-13% for displacement fields and approximately 2.4% for time-dependent reaction forces for the four-parameter bottle family. Point-wise error analyses further show absolute displacement errors on the order of 10^{-4}-10^{-3}, with the largest discrepancies confined to localized geometric regions. Importantly, the model accurately captures key physical phenomena, such as buckling behavior, across diverse bottle geometries. These results highlight the potential of our framework as a scalable and computationally efficient surrogate, particularly for multi-task predictions in computational mechanics and applications requiring rapid design evaluation.

Identifying the intent of a citation in scientific papers (e.g., background information, use of methods, comparing results) is critical for machine reading of individual publications and automated analysis of the scientific literature. We propose structural scaffolds, a multitask model to incorporate structural information of scientific papers into citations for effective classification of citation intents. Our model achieves a new state-of-the-art on an existing ACL anthology dataset (ACL-ARC) with a 13.3% absolute increase in F1 score, without relying on external linguistic resources or hand-engineered features as done in existing methods. In addition, we introduce a new dataset of citation intents (SciCite) which is more than five times larger and covers multiple scientific domains compared with existing datasets. Our code and data are available at: https://github.com/allenai/scicite.

MeanFlow (MF) has recently been established as a framework for one-step generative modeling. However, its ``fastforward'' nature introduces key challenges in both the training objective and the guidance mechanism. First, the original MF's training target depends not only on the underlying ground-truth fields but also on the network itself. To address this issue, we recast the objective as a loss on the instantaneous velocity v, re-parameterized by a network that predicts the average velocity u. Our reformulation yields a more standard regression problem and improves the training stability. Second, the original MF fixes the classifier-free guidance scale during training, which sacrifices flexibility. We tackle this issue by formulating guidance as explicit conditioning variables, thereby retaining flexibility at test time. The diverse conditions are processed through in-context conditioning, which reduces model size and benefits performance. Overall, our improved MeanFlow (iMF) method, trained entirely from scratch, achieves 1.72 FID with a single function evaluation (1-NFE) on ImageNet 256times256. iMF substantially outperforms prior methods of this kind and closes the gap with multi-step methods while using no distillation. We hope our work will further advance fastforward generative modeling as a stand-alone paradigm.

Controllable diffusion methods have substantially expanded the practical utility of diffusion models, but they are typically developed as isolated, backbone-specific systems with incompatible training pipelines, parameter formats, and runtime hooks. This fragmentation makes it difficult to reuse infrastructure across tasks, transfer capabilities across backbones, or compose multiple controls within a single generation pipeline. We present Diffusion Templates, a unified and open plugin framework that decouples base-model inference from controllable capability injection. The framework is organized around three components: Template models that map arbitrary task-specific inputs to an intermediate capability representation, a Template cache that functions as a standardized interface for capability injection, and a Template pipeline that loads, merges, and injects one or more Template caches into the base diffusion runtime. Because the interface is defined at the systems level rather than tied to a specific control architecture, heterogeneous capability carriers such as KV-Cache and LoRA can be supported under the same abstraction. Based on this design, we build a diverse model zoo spanning structural control, brightness adjustment, color adjustment, image editing, super-resolution, sharpness enhancement, aesthetic alignment, content reference, local inpainting, and age control. These case studies show that Diffusion Templates can unify a broad range of controllable generation tasks while preserving modularity, composability, and practical extensibility across rapidly evolving diffusion backbones. All resources will be open sourced, including code, models, and datasets.

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.

We develop and counterfactually evaluate a resolution-aware risk-design framework (PIRAP) for perpetual futures whose underlying tracks a single binary prediction-market probability through resolution. The framework specifies six components: an index estimator combining mid-price, depth-weighted mid, and time-decayed VWAP; jump-aware tiered margin sized against bounded-event terminal-collapse magnitude; leverage compression schedule contracting toward resolution; resolution-aware funding rule with boundary-aware correction; a multi-stage halt protocol; and an eligibility framework. Two formal non-portability propositions establish that standard basis-only funding paired with continuous-vol static margin fails on bounded-event underlyings. Empirical evaluation uses Polymarket's PMXT v2 archive for 2026-04-21 to 2026-04-27 (13,298-market analysis sample passing adequacy gates from 61,087 ingested; 13,115 resolved within the empirical window for E3). E1 evaluates two pre-registered stylized facts; E2 conducts counterfactual replay across three engine configurations; E3 isolates the resolution-zone protocol's contribution. Results are mixed. Five pre-registered floors: stylized-fact floors (boundary depth asymmetry, terminal-jump magnitude) PASS; welfare-side directional floors (final-hour liquidation -6%, drawdown -5.1% pooled, median PnL +14%) two FAIL one PASS; E3 mechanic floors (final-hour liquidation -80% by halt construction PASS; bad-debt frequency +2.4% FAIL). Three of five materiality floors fail: the framework as specified does not validate deployment, but the empirical record establishes a halt-versus-margin scope distinction (halt addresses execution-channel risk; terminal-jump bad-debt remains margin-side) and documents a pre-emption trade-off constraining the dynamic-margin component. The paper concludes with structural recommendations and explicit non-deployable status.

Given an unconditional generative model and a predictor for a target property (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. As a highly efficient technique for steering generative models toward flexible outcomes, training-free guidance has gained increasing attention in diffusion models. However, existing methods only handle data in continuous spaces, while many scientific applications involve both continuous and discrete data (referred to as multimodality). Another emerging trend is the growing use of the simple and general flow matching framework in building generative foundation models, where guided generation remains under-explored. To address this, we introduce TFG-Flow, a novel training-free guidance method for multimodal generative flow. TFG-Flow addresses the curse-of-dimensionality while maintaining the property of unbiased sampling in guiding discrete variables. We validate TFG-Flow on four molecular design tasks and show that TFG-Flow has great potential in drug design by generating molecules with desired properties.

Designing metal-organic frameworks (MOFs) with novel chemistries is a longstanding challenge due to their large combinatorial space and complex 3D arrangements of the building blocks. While recent deep generative models have enabled scalable MOF generation, they assume (1) a fixed set of building blocks and (2) known local 3D coordinates of building blocks. However, this limits their ability to (1) design novel MOFs and (2) generate the structure using novel building blocks. We propose a two-stage MOF generation framework that overcomes these limitations by modeling both chemical and geometric degrees of freedom. First, we train an SMILES-based autoregressive model to generate metal and organic building blocks, paired with a cheminformatics toolkit for 3D structure initialization. Second, we introduce a flow matching model that predicts translations, rotations, and torsional angles to assemble the blocks into valid 3D frameworks. Our experiments demonstrate improved reconstruction accuracy, the generation of valid, novel, and unique MOFs, and the ability to create novel building blocks. Our code is available at https://github.com/nayoung10/MOFFlow-2.

Recently, several works tackled the video editing task fostered by the success of large-scale text-to-image generative models. However, most of these methods holistically edit the frame using the text, exploiting the prior given by foundation diffusion models and focusing on improving the temporal consistency across frames. In this work, we introduce a framework that is object-centric and is designed to control both the object's appearance and, notably, to execute precise and explicit structural modifications on the object. We build our framework on a pre-trained image-conditioned diffusion model, integrate layers to handle the temporal dimension, and propose training strategies and architectural modifications to enable shape control. We evaluate our method on the image-driven video editing task showing similar performance to the state-of-the-art, and showcasing novel shape-editing capabilities. Further details, code and examples are available on our project page: https://helia95.github.io/vase-website/

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.

Generating high-quality time series data has emerged as a critical research topic due to its broad utility in supporting downstream time series mining tasks. A major challenge lies in modeling the intrinsic stochasticity of temporal dynamics, as real-world sequences often exhibit random fluctuations and localized variations. While diffusion models have achieved remarkable success, their generation process is computationally inefficient, often requiring hundreds to thousands of expensive function evaluations per sample. Flow matching has emerged as a more efficient paradigm, yet its conventional ordinary differential equation (ODE)-based formulation fails to explicitly capture stochasticity, thereby limiting the fidelity of generated sequences. By contrast, stochastic differential equation (SDE) are naturally suited for modeling randomness and uncertainty. Motivated by these insights, we propose TimeFlow, a novel SDE-based flow matching framework that integrates a encoder-only architecture. Specifically, we design a component-wise decomposed velocity field to capture the multi-faceted structure of time series and augment the vanilla flow-matching optimization with an additional stochastic term to enhance representational expressiveness. TimeFlow is flexible and general, supporting both unconditional and conditional generation tasks within a unified framework. Extensive experiments across diverse datasets demonstrate that our model consistently outperforms strong baselines in generation quality, diversity, and efficiency.

We introduce COT-FM, a general framework that reshapes the probability path in Flow Matching (FM) to achieve faster and more reliable generation. FM models often produce curved trajectories due to random or batchwise couplings, which increase discretization error and reduce sample quality. COT-FM fixes this by clustering target samples and assigning each cluster a dedicated source distribution obtained by reversing pretrained FM models. This divide-and-conquer strategy yields more accurate local transport and significantly straighter vector fields, all without changing the model architecture. As a plug-and-play approach, COT-FM consistently accelerates sampling and improves generation quality across 2D datasets, image generation benchmarks, and robotic manipulation tasks.

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.

Graph foundation models represent a transformative paradigm for learning transferable representations across diverse graph domains. Recent methods leverage large language models to unify graph and text modalities into a shared representation space using contrastive learning. However, systematic evaluations reveal significant performance degradation at structural boundaries where distinct topological patterns converge, with accuracy losses exceeding 20 percentage points. This issue arises from a key limitation: current methods assume all graph structures can be encoded within a single Euclidean space. In reality, tree structures require hyperbolic geometry to preserve hierarchical branching, while cyclic patterns depend on spherical geometry for closure properties. At structural boundaries, nodes experience conflicting geometric constraints that uniform encoding spaces cannot resolve. This raises a crucial challenge: Can alignment frameworks be designed to respect the intrinsic geometric diversity of graph structures? We introduce GraphShaper, a geometry-aware framework that enhances graph encoding through multi-geometric specialization. Our approach employs expert networks tailored to different geometric spaces, dynamically computing fusion weights to adaptively integrate geometric properties based on local structural characteristics. This adaptive fusion preserves structural integrity before alignment with text embeddings. Extensive experiments demonstrate that GraphShaper achieves 9.47\% accuracy improvements on citation networks and 7.63\% on social networks in zero-shot settings.

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.

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.

Recent advances in large multi-modal generative models have demonstrated impressive capabilities in multi-modal generation, including image and video generation. These models are typically built upon multi-step frameworks like diffusion and flow matching, which inherently limits their inference efficiency (requiring 40-100 Number of Function Evaluations (NFEs)). While various few-step methods aim to accelerate the inference, existing solutions have clear limitations. Prominent distillation-based methods, such as progressive and consistency distillation, either require an iterative distillation procedure or show significant degradation at very few steps (< 4-NFE). Meanwhile, integrating adversarial training into distillation (e.g., DMD/DMD2 and SANA-Sprint) to enhance performance introduces training instability, added complexity, and high GPU memory overhead due to the auxiliary trained models. To this end, we propose TwinFlow, a simple yet effective framework for training 1-step generative models that bypasses the need of fixed pretrained teacher models and avoids standard adversarial networks during training, making it ideal for building large-scale, efficient models. On text-to-image tasks, our method achieves a GenEval score of 0.83 in 1-NFE, outperforming strong baselines like SANA-Sprint (a GAN loss-based framework) and RCGM (a consistency-based framework). Notably, we demonstrate the scalability of TwinFlow by full-parameter training on Qwen-Image-20B and transform it into an efficient few-step generator. With just 1-NFE, our approach matches the performance of the original 100-NFE model on both the GenEval and DPG-Bench benchmarks, reducing computational cost by 100times with minor quality degradation. Project page is available at https://zhenglin-cheng.com/twinflow.

Generating high-dimensional visual modalities is a computationally intensive task. A common solution is progressive generation, where the outputs are synthesized in a coarse-to-fine spectral autoregressive manner. While diffusion models benefit from the coarse-to-fine nature of denoising, explicit multi-stage architectures are rarely adopted. These architectures have increased the complexity of the overall approach, introducing the need for a custom diffusion formulation, decomposition-dependent stage transitions, add-hoc samplers, or a model cascade. Our contribution, Decomposable Flow Matching (DFM), is a simple and effective framework for the progressive generation of visual media. DFM applies Flow Matching independently at each level of a user-defined multi-scale representation (such as Laplacian pyramid). As shown by our experiments, our approach improves visual quality for both images and videos, featuring superior results compared to prior multistage frameworks. On Imagenet-1k 512px, DFM achieves 35.2% improvements in FDD scores over the base architecture and 26.4% over the best-performing baseline, under the same training compute. When applied to finetuning of large models, such as FLUX, DFM shows faster convergence speed to the training distribution. Crucially, all these advantages are achieved with a single model, architectural simplicity, and minimal modifications to existing training pipelines.

Structural fidelity is essential to scientific methodology diagrams. To communicate research logic, these diagrams must faithfully render components, directional relations, and textual annotations. Since a single error, such as a reversed arrow or an unreadable equation, can invalidate the entire figure, structural fidelity is inherently conjunctive: correctness on one axis cannot compensate for failure on another. Current open-source models fail to satisfy this criterion. Supervised fine-tuning (SFT) learns plausible layouts but cannot reliably ensure structural correctness, while scalar reward-based post-training obscures which structural dimension has failed. To address this, we introduce SciForma, a framework for the structure faithful generation of scientific methodology diagrams. Specifically, SciForma decomposes diagram quality into three structural axes: Component, Arrow, and Text, guided by a structural inventory. Built on this foundation, we curate SciFormaData-700K for structured training and SciFormaBench-2K for logic-verified evaluation. To close the gap left by SFT, we develop Multi-Dimensional Conjunctive Preference Optimization (M-DPO), which enforces simultaneous correctness across all axes and adaptively routes gradients to the most deficient dimension in post-training. The same structural inventory also enables iterative editing at inference time to correct residual errors. This combination allows SciForma-9B to exceed all open-source baselines and GPT-Image-1.5 on both SciFormaBench-2K and AIBench, bringing open scientific diagram generation close to proprietary-level structural fidelity. Our code and data will be available at: https://github.com/microsoft/SciForma.

Safety-critical applications such as autonomous vehicles and social robots require fast computation and accurate probability density estimation on trajectory prediction. To address both requirements, this paper presents a new normalizing flow-based trajectory prediction model named FlowChain. FlowChain is a stack of conditional continuously-indexed flows (CIFs) that are expressive and allow analytical probability density computation. This analytical computation is faster than the generative models that need additional approximations such as kernel density estimation. Moreover, FlowChain is more accurate than the Gaussian mixture-based models due to fewer assumptions on the estimated density. FlowChain also allows a rapid update of estimated probability densities. This update is achieved by adopting the newest observed position and reusing the flow transformations and its log-det-jacobians that represent the motion trend. This update is completed in less than one millisecond because this reuse greatly omits the computational cost. Experimental results showed our FlowChain achieved state-of-the-art trajectory prediction accuracy compared to previous methods. Furthermore, our FlowChain demonstrated superiority in the accuracy and speed of density estimation. Our code is available at https://github.com/meaten/FlowChain-ICCV2023

Recent video diffusion foundation models have achieved remarkable progress in high-quality video generation, yet turning them into real-time interactive video world models remains challenging. Interactive world models require controllable, causal, and low-latency rollout, which in practice demands a full pipeline spanning data construction, controllable fine-tuning, autoregressive training, few-step distillation, and streaming inference. In this work, we present minWM, a full-stack open-source framework for building real-time interactive video world models. minWM provides an end-to-end pipeline that converts existing bidirectional T2V/TI2V video foundation models into camera-controllable few-step autoregressive world models. Specifically, minWM first fine-tunes a bidirectional video diffusion model with camera control, and then applies the Causal Forcing / Causal Forcing++ pipeline, including AR diffusion training, causal ODE or causal consistency distillation, and asymmetric DMD, to distill it into a few-step autoregressive generator for low-latency rollout. The framework is modular and architecture-extensible: we instantiate it on representative open backbones, including Wan2.1-T2V-1.3B and HY1.5-TI2V-8B, covering both cross-attention-based condition injection and MMDiT-style architectures. minWM also supports adapting existing video world models, such as HY-WorldPlay, to new data distributions, training recipes, and latency targets. Beyond releasing runnable scripts, checkpoints, documentation, and inference code, we provide practical ablations on camera trajectory quality, controllability training steps, and minimal batch-size requirements. We hope minWM serves as a reproducible and extensible recipe for building and adapting real-time interactive video world models. Project Page: [https://github.com/shengshu-ai/minWM](https://github.com/shengshu-ai/minWM)

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.

Normalizing flows (NFs) provide exact likelihoods and deterministic invertible sampling, but have historically lagged behind diffusion models for large-scale image generation. We identify a key obstacle: NFs are required to learn a single invertible transport over the full ambient space, making them highly sensitive to high-dimensional representations. This leads to a semantic-capacity mismatch in modern visual representation spaces, where semantic information is compact but encoded in overcomplete features. We propose SRC-Flow, which introduces a Semantic Representation Compressor (SRC) to compact high-dimensional RAE features into a low-dimensional semantic space before flow modeling and preserve reconstruction through the frozen RAE decoder. This compact space reduces the modeling burden of NFs and enables effective likelihood-based generation in semantic representation space. We further adopt constant noise regularization tailored to the fixed unconditional bijection learned by flows. On ImageNet 256 times 256 and 512 times 512, SRC-Flow achieves state-of-the-art generation quality among normalizing flow methods, with gFID scores of 1.65 and 2.07 under classifier-free guidance, while retaining exact likelihood computation in the compact semantic representation space and deterministic invertible sampling at the flow level. Codes and models will be available at https://github.com/longtaojiang/SRC-Flow.

Graph Domain Adaptation (GDA) typically uses adversarial learning to align graph embeddings in Euclidean space. However, this paradigm suffers from two critical challenges: Structural Degeneration, where hierarchical and semantic representations are entangled, and Optimization Instability, which arises from oscillatory dynamics of minimax adversarial training. To tackle these issues, we propose DisRFM, a geometry-aware GDA framework that unifies Riemannian embedding and flow-based transport. First, to overcome structural degeneration, we embed graphs into a Riemannian manifold. By adopting polar coordinates, we explicitly disentangle structure (radius) from semantics (angle). Then, we enforce topology preservation through radial Wasserstein alignment and semantic discrimination via angular clustering, thereby preventing feature entanglement and collapse. Second, we address the instability of adversarial alignment by using Riemannian flow matching. This method learns a smooth vector field to guide source features toward the target along geodesic paths, guaranteeing stable convergence. The geometric constraints further guide the flow to maintain the disentangled structure during transport. Theoretically, we prove the asymptotic stability of the flow matching and derive a tighter bound for the target risk. Extensive experiments demonstrate that DisRFM consistently outperforms state-of-the-art methods.

Learning-based optical flow estimation has been dominated with the pipeline of cost volume with convolutions for flow regression, which is inherently limited to local correlations and thus is hard to address the long-standing challenge of large displacements. To alleviate this, the state-of-the-art framework RAFT gradually improves its prediction quality by using a large number of iterative refinements, achieving remarkable performance but introducing linearly increasing inference time. To enable both high accuracy and efficiency, we completely revamp the dominant flow regression pipeline by reformulating optical flow as a global matching problem, which identifies the correspondences by directly comparing feature similarities. Specifically, we propose a GMFlow framework, which consists of three main components: a customized Transformer for feature enhancement, a correlation and softmax layer for global feature matching, and a self-attention layer for flow propagation. We further introduce a refinement step that reuses GMFlow at higher feature resolution for residual flow prediction. Our new framework outperforms 31-refinements RAFT on the challenging Sintel benchmark, while using only one refinement and running faster, suggesting a new paradigm for accurate and efficient optical flow estimation. Code is available at https://github.com/haofeixu/gmflow.

Flow matching is a recent framework to train generative models that exhibits impressive empirical performance while being relatively easier to train compared with diffusion-based models. Despite its advantageous properties, prior methods still face the challenges of expensive computing and a large number of function evaluations of off-the-shelf solvers in the pixel space. Furthermore, although latent-based generative methods have shown great success in recent years, this particular model type remains underexplored in this area. In this work, we propose to apply flow matching in the latent spaces of pretrained autoencoders, which offers improved computational efficiency and scalability for high-resolution image synthesis. This enables flow-matching training on constrained computational resources while maintaining their quality and flexibility. Additionally, our work stands as a pioneering contribution in the integration of various conditions into flow matching for conditional generation tasks, including label-conditioned image generation, image inpainting, and semantic-to-image generation. Through extensive experiments, our approach demonstrates its effectiveness in both quantitative and qualitative results on various datasets, such as CelebA-HQ, FFHQ, LSUN Church & Bedroom, and ImageNet. We also provide a theoretical control of the Wasserstein-2 distance between the reconstructed latent flow distribution and true data distribution, showing it is upper-bounded by the latent flow matching objective. Our code will be available at https://github.com/VinAIResearch/LFM.git.

Understanding the physical structure is essential for real-world applications such as embodied agents, interactive design, and long-horizon manipulation. Yet, prevailing Vision-Language Model (VLM) evaluations still center on structure-agnostic, single-turn setups (e.g., VQA), which fail to assess agents' ability to reason about how geometry, contact, and support relations jointly constrain what actions are possible in a dynamic environment. To address this gap, we introduce the Causal Hierarchy of Actions and Interactions (CHAIN) benchmark, an interactive 3D, physics-driven testbed designed to evaluate whether models can understand, plan, and execute structured action sequences grounded in physical constraints. CHAIN shifts evaluation from passive perception to active problem solving, spanning tasks such as interlocking mechanical puzzles and 3D stacking and packing. We conduct a comprehensive study of state-of-the-art VLMs and diffusion-based models under unified interactive settings. Our results show that top-performing models still struggle to internalize physical structure and causal constraints, often failing to produce reliable long-horizon plans and cannot robustly translate perceived structure into effective actions. The project is available at https://social-ai-studio.github.io/CHAIN/.

The precision, stability, and performance of lightweight high-strength steel structures in heavy machinery is affected by their highly nonlinear dynamics. This, in turn, makes control more difficult, simulation more computationally intensive, and achieving real-time autonomy, using standard approaches, impossible. Machine learning through data-driven, physics-informed and physics-inspired networks, however, promises more computationally efficient and accurate solutions to nonlinear dynamic problems. This study proposes a novel framework that has been developed to estimate real-time structural deflection in hydraulically actuated three-dimensional systems. It is based on SLIDE, a machine-learning-based method to estimate dynamic responses of mechanical systems subjected to forced excitations.~Further, an algorithm is introduced for the data acquisition from a hydraulically actuated system using randomized initial configurations and hydraulic pressures.~The new framework was tested on a hydraulically actuated flexible boom with various sensor combinations and lifting various payloads. The neural network was successfully trained in less time using standard parameters from PyTorch, ADAM optimizer, the various sensor inputs, and minimal output data. The SLIDE-trained neural network accelerated deflection estimation solutions by a factor of 10^7 in reference to flexible multibody simulation batches and provided reasonable accuracy. These results support the studies goal of providing robust, real-time solutions for control, robotic manipulators, structural health monitoring, and automation problems.

This paper introduces a multi-agent framework guided by Large Language Models (LLMs) to assist in the early stages of engineering design, a phase often characterized by vast parameter spaces and inherent uncertainty. Operating under a human-in-the-loop paradigm and demonstrated on the canonical problem of aerodynamic airfoil design, the framework employs a team of specialized agents: a Coding Assistant, a Design Agent, a Systems Engineering Agent, and an Analyst Agent - all coordinated by a human Manager. Integrated within a set-based design philosophy, the process begins with a collaborative phase where the Manager and Coding Assistant develop a suite of validated tools, after which the agents execute a structured workflow to systematically explore and prune a large set of initial design candidates. A key contribution of this work is the explicit integration of formal risk management, employing the Conditional Value-at-Risk (CVaR) as a quantitative metric to filter designs that exhibit a high probability of failing to meet performance requirements, specifically the target coefficient of lift. The framework automates labor-intensive initial exploration through a global sensitivity analysis conducted by the Analyst agent, which generates actionable heuristics to guide the other agents. The process culminates by presenting the human Manager with a curated final set of promising design candidates, augmented with high-fidelity Computational Fluid Dynamics (CFD) simulations. This approach effectively leverages AI to handle high-volume analytical tasks, thereby enhancing the decision-making capability of the human expert in selecting the final, risk-assessed design.

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.

Flow Matching (FM) constructs linear conditional probability paths, but the learned marginal velocity field inevitably exhibits strong curvature due to trajectory superposition. This curvature severely inflates numerical truncation errors, bottlenecking few-step sampling. To overcome this, we introduce Isokinetic Flow Matching (Iso-FM), a lightweight, Jacobian-free dynamical regularizer that directly penalizes pathwise acceleration. By using a self-guided finite-difference approximation of the material derivative Dv/Dt, Iso-FM enforces local velocity consistency without requiring auxiliary encoders or expensive second-order autodifferentiation. Operating as a pure plug-and-play addition to single-stage FM training, Iso-FM dramatically improves few-step generation. On CIFAR-10 (DiT-S/2), Iso-FM slashes conditional non-OT FID at 2 steps from 78.82 to 27.13 - a 2.9x relative efficiency gain - and reaches a best-observed FID at 4 steps of 10.23. These results firmly establish acceleration regularization as a principled, compute-efficient mechanism for fast generative sampling.

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.

Large foundation models have demonstrated a great ability to achieve general human-level intelligence far beyond traditional approaches. As the technique keeps attracting attention from the AI community, more and more large foundation models have become publically available. However, most of those models exhibit a major deficiency in specialized-task applications, where the step of finetuning is still required for obtaining satisfactory performance. As the number of available models and specialized tasks keeps growing, the job of general finetuning becomes highly nontrivial. In this paper, we take the first step to address this issue. We introduce an extensible and lightweight toolkit, LMFlow, which aims to simplify the finetuning and inference of general large foundation models. LMFlow offers a complete finetuning workflow for a large foundation model to support personalized training with limited computing resources. Furthermore, it supports continuous pretraining, instruction tuning, parameter-efficient finetuning, alignment tuning, and large model inference, along with carefully designed and extensible APIs. This toolkit has been thoroughly tested and is available at https://github.com/OptimalScale/LMFlow.

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.

Multimodal Foundation Models (MMFMs) have shown remarkable performance on various computer vision and natural language processing tasks. However, their performance on particular tasks such as document understanding is still limited. They also require more compute, time, and engineering resources to finetune and deploy compared to traditional, unimodal models. In this report, we present Multimodal Structured Generation, a general framework which constrains the output logits of frozen MMFMs to force them to reason before responding with structured outputs that downstream APIs can parse and use. We provide a detailed account of our approach, including the technical details, theoretical discussions, and final evaluation results in the 2nd Multimodal Foundation Models Challenge hosted by the Computer Vision and Pattern Recognition (CVPR) conference. Our approach achieved the second highest score in the hidden test set for Phase 2 and third highest overall. This shows the method's ability to generalize to unseen tasks. And that simple engineering can beat expensive & complicated modelling steps as we first discussed in our paper, Retrieval Augmented Structured Generation: Business Document Information Extraction as Tool Use. All of our scripts, deployment steps, and evaluation results can be accessed in https://github.com/leloykun/MMFM-Challenge

We present FloodDiffusion, a new framework for text-driven, streaming human motion generation. Given time-varying text prompts, FloodDiffusion generates text-aligned, seamless motion sequences with real-time latency. Unlike existing methods that rely on chunk-by-chunk or auto-regressive model with diffusion head, we adopt a diffusion forcing framework to model this time-series generation task under time-varying control events. We find that a straightforward implementation of vanilla diffusion forcing (as proposed for video models) fails to model real motion distributions. We demonstrate that to guarantee modeling the output distribution, the vanilla diffusion forcing must be tailored to: (i) train with a bi-directional attention instead of casual attention; (ii) implement a lower triangular time scheduler instead of a random one; (iii) utilize a continues time-varying way to introduce text conditioning. With these improvements, we demonstrate in the first time that the diffusion forcing-based framework achieves state-of-the-art performance on the streaming motion generation task, reaching an FID of 0.057 on the HumanML3D benchmark. Models, code, and weights are available. https://shandaai.github.io/FloodDiffusion/

This paper presents a pioneering methodology, termed StructTuning, to efficiently transform foundation Large Language Models (LLMs) into domain specialists. It significantly minimizes the training corpus requirement to a mere 0.3% while achieving an impressive 50% of traditional knowledge injection performance. Our method is inspired by the educational processes for human students, particularly how structured domain knowledge from textbooks is absorbed and then applied to tackle real-world challenges through specific exercises. Based on this, we propose a novel two-stage knowledge injection strategy: Structure-aware Continual Pre-Training (SCPT) and Structure-aware Supervised Fine-Tuning (SSFT). In the SCPT phase, we organize the training data into an auto-generated taxonomy of domain knowledge, enabling LLMs to effectively memorize textual segments linked to specific expertise within the taxonomy's architecture. Subsequently, in the SSFT phase, we explicitly prompt models to reveal the underlying knowledge structure in their outputs, leveraging this structured domain insight to address practical problems adeptly. Our ultimate method has undergone extensive evaluations across model architectures and scales, using closed-book question-answering tasks on LongBench and MMedBench datasets. Remarkably, our method matches 50% of the improvement displayed by the state-of-the-art MMedLM2 on MMedBench, but with only 0.3% quantity of the training corpus. This breakthrough showcases the potential to scale up our StructTuning for stronger domain-specific LLMs. Code will be made public soon.

Tabular foundation models represent a growing paradigm in structured data learning, extending the benefits of large-scale pretraining to tabular domains. However, their adoption remains limited due to heterogeneous preprocessing pipelines, fragmented APIs, inconsistent fine-tuning procedures, and the absence of standardized evaluation for deployment-oriented metrics such as calibration and fairness. We present TabTune, a unified library that standardizes the complete workflow for tabular foundation models through a single interface. TabTune provides consistent access to seven state-of-the-art models supporting multiple adaptation strategies, including zero-shot inference, meta-learning, supervised fine-tuning (SFT), and parameter-efficient fine-tuning (PEFT). The framework automates model-aware preprocessing, manages architectural heterogeneity internally, and integrates evaluation modules for performance, calibration, and fairness. Designed for extensibility and reproducibility, TabTune enables consistent benchmarking of adaptation strategies of tabular foundation models. The library is open source and available at https://github.com/Lexsi-Labs/TabTune .

The emergent phenomena of large foundation models have revolutionized natural language processing. However, evaluating these models presents significant challenges due to their size, capabilities, and deployment across diverse applications. Existing literature often focuses on individual aspects, such as benchmark performance or specific tasks, but fails to provide a cohesive process that integrates the nuances of diverse use cases with broader ethical and operational considerations. This work focuses on three key aspects: (1) Formalizing the Evaluation Process by providing a structured framework tailored to specific use-case contexts, (2) Offering Actionable Tools and Frameworks such as checklists and templates to ensure thorough, reproducible, and practical evaluations, and (3) Surveying Recent Work with a targeted review of advancements in LLM evaluation, emphasizing real-world applications.

Workflows are a fundamental component of automation in enterprise platforms, enabling the orchestration of tasks, data processing, and system integrations. Despite being widely used, building workflows can be complex, often requiring manual configuration through low-code platforms or visual programming tools. To simplify this process, we explore the use of generative foundation models, particularly vision-language models (VLMs), to automatically generate structured workflows from visual inputs. Translating hand-drawn sketches or computer-generated diagrams into executable workflows is challenging due to the ambiguity of free-form drawings, variations in diagram styles, and the difficulty of inferring execution logic from visual elements. To address this, we introduce StarFlow, a framework for generating structured workflow outputs from sketches using vision-language models. We curate a diverse dataset of workflow diagrams -- including synthetic, manually annotated, and real-world samples -- to enable robust training and evaluation. We finetune and benchmark multiple vision-language models, conducting a series of ablation studies to analyze the strengths and limitations of our approach. Our results show that finetuning significantly enhances structured workflow generation, outperforming large vision-language models on this task.

Flow Matching (FM) has recently emerged as a principled and efficient alternative to diffusion models. Standard FM encourages the learned velocity field to follow a target direction; however, it may accumulate errors along the trajectory and drive samples off the data manifold, leading to perceptual degradation, especially in lightweight or low-step configurations. To enhance stability and generalization, we extend FM into a balanced attract-repel scheme that provides explicit guidance on both "where to go" and "where not to go." To be formal, we propose Velocity Contrastive Regularization (VeCoR), a complementary training scheme for flow-based generative modeling that augments the standard FM objective with contrastive, two-sided supervision. VeCoR not only aligns the predicted velocity with a stable reference direction (positive supervision) but also pushes it away from inconsistent, off-manifold directions (negative supervision). This contrastive formulation transforms FM from a purely attractive, one-sided objective into a two-sided training signal, regularizing trajectory evolution and improving perceptual fidelity across datasets and backbones. On ImageNet-1K 256times256, VeCoR yields 22\% and 35\% relative FID reductions on SiT-XL/2 and REPA-SiT-XL/2 backbones, respectively, and achieves further FID gains (32\% relative) on MS-COCO text-to-image generation, demonstrating consistent improvements in stability, convergence, and image quality, particularly in low-step and lightweight settings. Project page: https://p458732.github.io/VeCoR_Project_Page/

Earthquake hazard analysis and design of spatially distributed infrastructure, such as power grids and energy pipeline networks, require scenario-specific ground-motion time histories with realistic frequency content and spatiotemporal coherence. However, producing the large ensembles needed for uncertainty quantification with physics-based simulations is computationally intensive and impractical for engineering workflows. To address this challenge, we introduce Ground-Motion Flow (GMFlow), a physics-inspired latent operator flow matching framework that generates realistic, large-scale regional ground-motion time-histories conditioned on physical parameters. Validated on simulated earthquake scenarios in the San Francisco Bay Area, GMFlow generates spatially coherent ground motion across more than 9 million grid points in seconds, achieving a 10,000-fold speedup over the simulation workflow, which opens a path toward rapid and uncertainty-aware hazard assessment for distributed infrastructure. More broadly, GMFlow advances mesh-agnostic functional generative modeling and could potentially be extended to the synthesis of large-scale spatiotemporal physical fields in diverse scientific domains.

Graph-structured data pervades domains such as social networks, biological systems, knowledge graphs, and recommender systems. While foundation models have transformed natural language processing, vision, and multimodal learning through large-scale pretraining and generalization, extending these capabilities to graphs -- characterized by non-Euclidean structures and complex relational semantics -- poses unique challenges and opens new opportunities. To this end, Graph Foundation Models (GFMs) aim to bring scalable, general-purpose intelligence to structured data, enabling broad transfer across graph-centric tasks and domains. This survey provides a comprehensive overview of GFMs, unifying diverse efforts under a modular framework comprising three key components: backbone architectures, pretraining strategies, and adaptation mechanisms. We categorize GFMs by their generalization scope -- universal, task-specific, and domain-specific -- and review representative methods, key innovations, and theoretical insights within each category. Beyond methodology, we examine theoretical foundations including transferability and emergent capabilities, and highlight key challenges such as structural alignment, heterogeneity, scalability, and evaluation. Positioned at the intersection of graph learning and general-purpose AI, GFMs are poised to become foundational infrastructure for open-ended reasoning over structured data. This survey consolidates current progress and outlines future directions to guide research in this rapidly evolving field. Resources are available at https://github.com/Zehong-Wang/Awesome-Foundation-Models-on-Graphs.

Recent advances in few-step diffusion models have demonstrated their efficiency and effectiveness by shortcutting the probabilistic paths of diffusion models, especially in training one-step diffusion models from scratch (a.k.a. shortcut models). However, their theoretical derivation and practical implementation are often closely coupled, which obscures the design space. To address this, we propose a common design framework for representative shortcut models. This framework provides theoretical justification for their validity and disentangles concrete component-level choices, thereby enabling systematic identification of improvements. With our proposed improvements, the resulting one-step model achieves a new state-of-the-art FID50k of 2.85 on ImageNet-256x256 under the classifier-free guidance setting with one step generation, and further reaches FID50k of 2.53 with 2x training steps. Remarkably, the model requires no pre-training, distillation, or curriculum learning. We believe our work lowers the barrier to component-level innovation in shortcut models and facilitates principled exploration of their design space.

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.