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Nov 13

OctMole: Multiscale 3D Molecular Generation with Hierarchical Spatial Flows

Generating accurate 3D molecules requires jointly determining a variable number of atoms, their identities, and geometry across spatial scales: global shape emerges coarsely, whereas chemical bonds demand fine local precision. Existing atom-based diffusion and flow models operate largely at a single scale, while dense spatial fields become costly at high resolution. We introduce OctMole, a multiscale octree flow framework for 3D molecular generation. A hierarchical occupancy flow progressively resolves sparse molecular support from coarse to fine, and a joint atom flow assigns atom types and continuous in-cell offsets to occupied leaves. This decomposition combines efficient global structure with subcell geometric precision, while cell corruption improves robustness to generated support. On QM9 and GEOM-DRUG, OctMole achieves strong chemical, distributional, and geometric quality, with particularly clear gains over Uni-3DAR on GEOM-DRUG and substantial efficiency gains over dense 3D generation. As an additional capability, intermediate occupancy states and selected regions provide spatial conditioning without task-specific retraining, supporting multiscale shape conditioning, regional editing, linker generation, and shape interpolation. Code and pretrained checkpoints are available at https://github.com/octree-nn/octmole and https://huggingface.co/Disembo/octmole, respectively.

  • 4 authors
·
Oct 11

The Beauty of Anisotropic Mesh Refinement: Omnitrees for Efficient Dyadic Discretizations

Structured adaptive mesh refinement (AMR), commonly implemented via quadtrees and octrees, underpins a wide range of applications including databases, computer graphics, physics simulations, and machine learning. However, octrees enforce isotropic refinement in regions of interest, which can be especially inefficient for problems that are intrinsically anisotropic--much resolution is spent where little information is gained. This paper presents omnitrees as an anisotropic generalization of octrees and related data structures. Omnitrees allow to refine only the locally most important dimensions, providing tree structures that are less deep than bintrees and less wide than octrees. As a result, the convergence of the AMR schemes can be increased by up to a factor of the dimensionality d for very anisotropic problems, quickly offsetting their modest increase in storage overhead. We validate this finding on the problem of binary shape representation across 4,166 three-dimensional objects: Omnitrees increase the mean convergence rate by 1.5x, require less storage to achieve equivalent error bounds, and maximize the information density of the stored function faster than octrees. These advantages are projected to be even stronger for higher-dimensional problems. We provide a first validation by introducing a time-dependent rotation to create four-dimensional representations, and discuss the properties of their 4-d octree and omnitree approximations. Overall, omnitree discretizations can make existing AMR approaches more efficient, and open up new possibilities for high-dimensional applications.

  • 3 authors
·
Aug 8, 2025

Dynamic PlenOctree for Adaptive Sampling Refinement in Explicit NeRF

The explicit neural radiance field (NeRF) has gained considerable interest for its efficient training and fast inference capabilities, making it a promising direction such as virtual reality and gaming. In particular, PlenOctree (POT)[1], an explicit hierarchical multi-scale octree representation, has emerged as a structural and influential framework. However, POT's fixed structure for direct optimization is sub-optimal as the scene complexity evolves continuously with updates to cached color and density, necessitating refining the sampling distribution to capture signal complexity accordingly. To address this issue, we propose the dynamic PlenOctree DOT, which adaptively refines the sample distribution to adjust to changing scene complexity. Specifically, DOT proposes a concise yet novel hierarchical feature fusion strategy during the iterative rendering process. Firstly, it identifies the regions of interest through training signals to ensure adaptive and efficient refinement. Next, rather than directly filtering out valueless nodes, DOT introduces the sampling and pruning operations for octrees to aggregate features, enabling rapid parameter learning. Compared with POT, our DOT outperforms it by enhancing visual quality, reducing over 55.15/68.84% parameters, and providing 1.7/1.9 times FPS for NeRF-synthetic and Tanks & Temples, respectively. Project homepage:https://vlislab22.github.io/DOT. [1] Yu, Alex, et al. "Plenoctrees for real-time rendering of neural radiance fields." Proceedings of the IEEE/CVF International Conference on Computer Vision. 2021.

  • 4 authors
·
Jul 28, 2023

OctGPT: Octree-based Multiscale Autoregressive Models for 3D Shape Generation

Autoregressive models have achieved remarkable success across various domains, yet their performance in 3D shape generation lags significantly behind that of diffusion models. In this paper, we introduce OctGPT, a novel multiscale autoregressive model for 3D shape generation that dramatically improves the efficiency and performance of prior 3D autoregressive approaches, while rivaling or surpassing state-of-the-art diffusion models. Our method employs a serialized octree representation to efficiently capture the hierarchical and spatial structures of 3D shapes. Coarse geometry is encoded via octree structures, while fine-grained details are represented by binary tokens generated using a vector quantized variational autoencoder (VQVAE), transforming 3D shapes into compact multiscale binary sequences suitable for autoregressive prediction. To address the computational challenges of handling long sequences, we incorporate octree-based transformers enhanced with 3D rotary positional encodings, scale-specific embeddings, and token-parallel generation schemes. These innovations reduce training time by 13 folds and generation time by 69 folds, enabling the efficient training of high-resolution 3D shapes, e.g.,1024^3, on just four NVIDIA 4090 GPUs only within days. OctGPT showcases exceptional versatility across various tasks, including text-, sketch-, and image-conditioned generation, as well as scene-level synthesis involving multiple objects. Extensive experiments demonstrate that OctGPT accelerates convergence and improves generation quality over prior autoregressive methods, offering a new paradigm for high-quality, scalable 3D content creation.

  • 5 authors
·
Apr 14, 2025

OctFormer: Octree-based Transformers for 3D Point Clouds

We propose octree-based transformers, named OctFormer, for 3D point cloud learning. OctFormer can not only serve as a general and effective backbone for 3D point cloud segmentation and object detection but also have linear complexity and is scalable for large-scale point clouds. The key challenge in applying transformers to point clouds is reducing the quadratic, thus overwhelming, computation complexity of attentions. To combat this issue, several works divide point clouds into non-overlapping windows and constrain attentions in each local window. However, the point number in each window varies greatly, impeding the efficient execution on GPU. Observing that attentions are robust to the shapes of local windows, we propose a novel octree attention, which leverages sorted shuffled keys of octrees to partition point clouds into local windows containing a fixed number of points while permitting shapes of windows to change freely. And we also introduce dilated octree attention to expand the receptive field further. Our octree attention can be implemented in 10 lines of code with open-sourced libraries and runs 17 times faster than other point cloud attentions when the point number exceeds 200k. Built upon the octree attention, OctFormer can be easily scaled up and achieves state-of-the-art performances on a series of 3D segmentation and detection benchmarks, surpassing previous sparse-voxel-based CNNs and point cloud transformers in terms of both efficiency and effectiveness. Notably, on the challenging ScanNet200 dataset, OctFormer outperforms sparse-voxel-based CNNs by 7.3 in mIoU. Our code and trained models are available at https://wang-ps.github.io/octformer.

  • 1 authors
·
May 7, 2023

Octrees as an Explicit 3D Language

Existing 3D large language models (LLMs) compromise on two fronts: they compress shapes into latent codebook indices or coordinate text, which removes spatial structure from what the model observes, and they acquire the 3D modality by fine-tuning the backbone, which overwrites its general language ability. We present OctLLM, which addresses both limitations. Geometry enters as an explicit 3D sequence of octree occupancy tokens. However, full octree sequences grow rapidly with depth; OctLLM therefore randomly empties penultimate-level nodes and omits descendants while preserving shape, yielding a shorter coordinate- and depth-anchored Sparse Octree (S-Octree) for position-aware mask-modeling generation and 3D understanding. On the other front, existing methods introduce a new modality with full fine-tuning or LoRA, but full fine-tuning is costly, LoRA limits 3D capacity, and both modify the language pathway. OctLLM instead adds 3D capacity in parameters separate from the pretrained ones: mesh tokens are routed through independent trainable branches in a subset of blocks while text and image tokens retain the frozen vision-language pathway, and the two streams interact through shared self-attention. It trains far fewer parameters than full fine-tuning, yet sets a new state of the art among unified multimodal LLMs, lowering image-to-3D FID by 17.4% and raising render-grounded captioning by 28.7 points over ShapeLLM-Omni, while matching the backbone on general language benchmarks.

FlowBench: A Large Scale Benchmark for Flow Simulation over Complex Geometries

Simulating fluid flow around arbitrary shapes is key to solving various engineering problems. However, simulating flow physics across complex geometries remains numerically challenging and computationally resource-intensive, particularly when using conventional PDE solvers. Machine learning methods offer attractive opportunities to create fast and adaptable PDE solvers. However, benchmark datasets to measure the performance of such methods are scarce, especially for flow physics across complex geometries. We introduce FlowBench, a dataset for neural simulators with over 10K samples, which is currently larger than any publicly available flow physics dataset. FlowBench contains flow simulation data across complex geometries (parametric vs. non-parametric), spanning a range of flow conditions (Reynolds number and Grashoff number), capturing a diverse array of flow phenomena (steady vs. transient; forced vs. free convection), and for both 2D and 3D. FlowBench contains over 10K data samples, with each sample the outcome of a fully resolved, direct numerical simulation using a well-validated simulator framework designed for modeling transport phenomena in complex geometries. For each sample, we include velocity, pressure, and temperature field data at 3 different resolutions and several summary statistics features of engineering relevance (such as coefficients of lift and drag, and Nusselt numbers). %Additionally, we include masks and signed distance fields for each shape. We envision that FlowBench will enable evaluating the interplay between complex geometry, coupled flow phenomena, and data sufficiency on the performance of current, and future, neural PDE solvers. We enumerate several evaluation metrics to help rank order the performance of neural PDE solvers. We benchmark the performance of several baseline methods including FNO, CNO, WNO, and DeepONet.

  • 13 authors
·
Sep 25, 2024

Hyper3D: Efficient 3D Representation via Hybrid Triplane and Octree Feature for Enhanced 3D Shape Variational Auto-Encoders

Recent 3D content generation pipelines often leverage Variational Autoencoders (VAEs) to encode shapes into compact latent representations, facilitating diffusion-based generation. Efficiently compressing 3D shapes while preserving intricate geometric details remains a key challenge. Existing 3D shape VAEs often employ uniform point sampling and 1D/2D latent representations, such as vector sets or triplanes, leading to significant geometric detail loss due to inadequate surface coverage and the absence of explicit 3D representations in the latent space. Although recent work explores 3D latent representations, their large scale hinders high-resolution encoding and efficient training. Given these challenges, we introduce Hyper3D, which enhances VAE reconstruction through efficient 3D representation that integrates hybrid triplane and octree features. First, we adopt an octree-based feature representation to embed mesh information into the network, mitigating the limitations of uniform point sampling in capturing geometric distributions along the mesh surface. Furthermore, we propose a hybrid latent space representation that integrates a high-resolution triplane with a low-resolution 3D grid. This design not only compensates for the lack of explicit 3D representations but also leverages a triplane to preserve high-resolution details. Experimental results demonstrate that Hyper3D outperforms traditional representations by reconstructing 3D shapes with higher fidelity and finer details, making it well-suited for 3D generation pipelines.

  • 7 authors
·
Mar 13, 2025

Adaptive Mesh-Quantization for Neural PDE Solvers

Physical systems commonly exhibit spatially varying complexity, presenting a significant challenge for neural PDE solvers. While Graph Neural Networks can handle the irregular meshes required for complex geometries and boundary conditions, they still apply uniform computational effort across all nodes regardless of the underlying physics complexity. This leads to inefficient resource allocation where computationally simple regions receive the same treatment as complex phenomena. We address this challenge by introducing Adaptive Mesh Quantization: spatially adaptive quantization across mesh node, edge, and cluster features, dynamically adjusting the bit-width used by a quantized model. We propose an adaptive bit-width allocation strategy driven by a lightweight auxiliary model that identifies high-loss regions in the input mesh. This enables dynamic resource distribution in the main model, where regions of higher difficulty are allocated increased bit-width, optimizing computational resource utilization. We demonstrate our framework's effectiveness by integrating it with two state-of-the-art models, MP-PDE and GraphViT, to evaluate performance across multiple tasks: 2D Darcy flow, large-scale unsteady fluid dynamics in 2D, steady-state Navier-Stokes simulations in 3D, and a 2D hyper-elasticity problem. Our framework demonstrates consistent Pareto improvements over uniformly quantized baselines, yielding up to 50% improvements in performance at the same cost.

  • 4 authors
·
Nov 23, 2025

SUMNO: Spatially Unrolled Multigrid Neural Operator for Fluid Flow Surrogates

Data-driven surrogate modeling has emerged as a powerful paradigm for accelerating computational fluid dynamics, and hierarchical U-shaped networks, which resemble the structure of classical Geometric Multigrid (GMG) methods, have become prevalent designs. Modern surrogates built on these designs achieve competitive accuracy at a fraction of the cost of numerical solvers; however, accurate prediction of complex flows remains challenging, and no existing architecture leads across them. In such networks, the multigrid analogy mainly concerns the multi-resolution topology, while their components largely follow common vision practice. To address this, this study introduces SUMNO, a multigrid neural operator for fluid flow fields on regular grids that spatially unrolls a V-cycle into a feed-forward U-shaped network. Parameter-free down- and upsampling stand in for restriction and prolongation, and additive skip connections for coarse-grid correction, with normalization-free transfer and skip pathways. Within this macro-architecture, convolutions are used at the fine and intermediate resolutions and shifted-window attention at the coarsest, whose window partitioning is generalized to handle periodicity independently per axis. Evaluated on unseen test configurations across four unsteady and steady flow benchmarks against five representative baselines, SUMNO is best in 5 of 7 settings and ranks second in the remaining two. It reduces the 10-step rollout MSE by about 30% relative to the strongest baseline, and outperforms three baselines with over 130 million parameters using 9.4 million parameters.

  • 4 authors
·
Nov 11

HOTFormerLoc: Hierarchical Octree Transformer for Versatile Lidar Place Recognition Across Ground and Aerial Views

We present HOTFormerLoc, a novel and versatile Hierarchical Octree-based TransFormer, for large-scale 3D place recognition in both ground-to-ground and ground-to-aerial scenarios across urban and forest environments. We propose an octree-based multi-scale attention mechanism that captures spatial and semantic features across granularities. To address the variable density of point distributions from spinning lidar, we present cylindrical octree attention windows to reflect the underlying distribution during attention. We introduce relay tokens to enable efficient global-local interactions and multi-scale representation learning at reduced computational cost. Our pyramid attentional pooling then synthesises a robust global descriptor for end-to-end place recognition in challenging environments. In addition, we introduce CS-Wild-Places, a novel 3D cross-source dataset featuring point cloud data from aerial and ground lidar scans captured in dense forests. Point clouds in CS-Wild-Places contain representational gaps and distinctive attributes such as varying point densities and noise patterns, making it a challenging benchmark for cross-view localisation in the wild. HOTFormerLoc achieves a top-1 average recall improvement of 5.5% - 11.5% on the CS-Wild-Places benchmark. Furthermore, it consistently outperforms SOTA 3D place recognition methods, with an average performance gain of 4.9% on well-established urban and forest datasets. The code and CS-Wild-Places benchmark is available at https://csiro-robotics.github.io/HOTFormerLoc.

  • 5 authors
·
Mar 11, 2025

End-to-End Autonomous Recursive Arborescence Deformable Flow and Non-Linear Hemodynamics for Patient-Specific Coronary Centerline Extraction

Extracting patient-specific vascular trees from volumetric medical images is fundamental to computational angiography and non-invasive hemodynamic assessment. Conventional voxel segmentation models often sever delicate bifurcations, while heuristic Euclidean Minimum Spanning Trees introduce non-anatomical shortcuts. Moreover, linear Poiseuille flow neglects quadratic kinetic dissipation across arterial narrowings, underestimating ischemia. We formulate an end-to-end framework decoupling continuous geometric arborescence generation from non-linear hemodynamics. First, an autonomous 3D Ostium Landmark Localization Head with dual-sinus query channels and spherical-gated refinement eliminates centerline seeding dependency, achieving cohort mean localization error of 7.63 mm (7.43 mm LCA, 7.83 mm RCA; 71.4% <= 8.0 mm) from raw contrast context. Second, a Spatially-Grounded Deformable Step Flow Architecture queries continuous 3D feature pyramids via trilinear sampling, sequentially generating trajectories with anchor boundary enforcement (X(0) = P_start). Third, a Top-Down Recursive Arborescence State Machine detects bifurcation peaks via Tree-NMS and parameterizes predecessor parent pointers (p_k < k), guaranteeing single connected acyclic tree topology (beta_0 = 1, beta_1 = 0) with differentiable step termination. Fourth, an iterative Picard non-linear Kirchhoff solver with Young-Tsai / Gould quadratic dissipation enforces machine-precision mass conservation (residual 5.82e-11 mL/s). Across 14 development patients under standardized in-silico stenosis stress testing (Q_0 = 4.0 mL/s), linear Poiseuille flow misclassifies 75% diameter lesions as non-ischemic (FFR > 0.80) in 14/14 cases, whereas our non-linear solver captures functional ischemia (FFR = 0.5864, lesion disparity 32.89 mmHg, p = 6.10e-5) with 3.66x collateral shunting. Test set firewall isolation was maintained.

  • 2 authors
·
Oct 4

TexGaussian: Generating High-quality PBR Material via Octree-based 3D Gaussian Splatting

Physically Based Rendering (PBR) materials play a crucial role in modern graphics, enabling photorealistic rendering across diverse environment maps. Developing an effective and efficient algorithm that is capable of automatically generating high-quality PBR materials rather than RGB texture for 3D meshes can significantly streamline the 3D content creation. Most existing methods leverage pre-trained 2D diffusion models for multi-view image synthesis, which often leads to severe inconsistency between the generated textures and input 3D meshes. This paper presents TexGaussian, a novel method that uses octant-aligned 3D Gaussian Splatting for rapid PBR material generation. Specifically, we place each 3D Gaussian on the finest leaf node of the octree built from the input 3D mesh to render the multi-view images not only for the albedo map but also for roughness and metallic. Moreover, our model is trained in a regression manner instead of diffusion denoising, capable of generating the PBR material for a 3D mesh in a single feed-forward process. Extensive experiments on publicly available benchmarks demonstrate that our method synthesizes more visually pleasing PBR materials and runs faster than previous methods in both unconditional and text-conditional scenarios, exhibiting better consistency with the given geometry. Our code and trained models are available at https://3d-aigc.github.io/TexGaussian.

  • 9 authors
·
Nov 29, 2024

Neural Explicit Shape Representation

Existing neural 3D representations separately address continuous surface modeling, efficient image synthesis, or object-specific compression. They do not jointly provide the explicit surface queries required by ray tracing and a structured output space that can be predicted across objects. We introduce NeuOctree, a neural explicit representation that directly predicts whether and where a ray intersects a surface, together with its normal and albedo. NeuOctree stores shared features at the corners of sparse octree voxels and interpolates them into a continuous local field. A lightweight decoder with recurrent intersection-guided sampling refines each query near the predicted surface, enabling direct surface rendering without mesh extraction or texture baking and accommodating open, non-watertight geometry. The same octree structure supports both compact per-object optimization and a shared octree CNN that constructs renderable assets from colored point clouds without per-object fitting. Across seven meshes and four storage budgets, NeuOctree achieves the lowest positional error in 24 of 28 comparisons while retaining competitive normal accuracy, and substantially improves joint geometry--appearance reconstruction over N-BVH and VQAD. The feedforward model constructs a representation in 0.05 seconds and transfers from Objaverse to ShapeNet without retraining. We further demonstrate ray-traced rendering and image-conditioned generation, showing that NeuOctree provides a common output space for neural inference and direct surface rendering. Code is available at https://github.com/octree-nn/neural-octree.

  • 4 authors
·
Oct 27

Flow Straight and Fast: Learning to Generate and Transfer Data with Rectified Flow

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

  • 3 authors
·
Sep 7, 2022

FISC: A Fluid-Inspired Framework for Decentralized and Scalable Swarm Control

Achieving scalable coordination in large robotic swarms is often constrained by reliance on inter-agent communication, which introduces latency, bandwidth limitations, and vulnerability to failure. To address this gap, a decentralized approach for outer-loop control of large multi-agent systems based on the paradigm of how a fluid moves through a volume is proposed and evaluated. A relationship between fundamental fluidic element properties and individual robotic agent states is developed such that the corresponding swarm "flows" through a space, akin to a fluid when forced via a pressure boundary condition. By ascribing fluid-like properties to subsets of agents, the swarm evolves collectively while maintaining desirable structure and coherence without explicit communication of agent states within or outside of the swarm. The approach is evaluated using simulations involving O(10^3) quadcopter agents and compared against Computational Fluid Dynamics (CFD) solutions for a converging-diverging domain. Quantitative agreement between swarm-derived and CFD fields is assessed using Root-Mean-Square Error (RMSE), yielding normalized errors of 0.15-0.9 for velocity, 0.61-0.98 for density, 0-0.937 for pressure. These results demonstrate the feasibility of treating large robotic swarms as continuum systems that retain the macroscopic structure derived from first principles, providing a basis for scalable and decentralized control.

  • 3 authors
·
Jan 30

DRIFT-Net: A Spectral--Coupled Neural Operator for PDEs Learning

Learning PDE dynamics with neural solvers can significantly improve wall-clock efficiency and accuracy compared with classical numerical solvers. In recent years, foundation models for PDEs have largely adopted multi-scale windowed self-attention, with the scOT backbone in Poseidon serving as a representative example. However, because of their locality, truly globally consistent spectral coupling can only be propagated gradually through deep stacking and window shifting. This weakens global coupling and leads to error accumulation and drift during closed-loop rollouts. To address this, we propose DRIFT-Net. It employs a dual-branch design comprising a spectral branch and an image branch. The spectral branch is responsible for capturing global, large-scale low-frequency information, whereas the image branch focuses on local details and nonstationary structures. Specifically, we first perform controlled, lightweight mixing within the low-frequency range. Then we fuse the spectral and image paths at each layer via bandwise weighting, which avoids the width inflation and training instability caused by naive concatenation. The fused result is transformed back into the spatial domain and added to the image branch, thereby preserving both global structure and high-frequency details across scales. Compared with strong attention-based baselines, DRIFT-Net achieves lower error and higher throughput with fewer parameters under identical training settings and budget. On Navier--Stokes benchmarks, the relative L_{1} error is reduced by 7\%--54\%, the parameter count decreases by about 15\%, and the throughput remains higher than scOT. Ablation studies and theoretical analyses further demonstrate the stability and effectiveness of this design. The code is available at https://github.com/cruiseresearchgroup/DRIFT-Net.

On the transmission of floating-point perturbations in flow-dependent filter-width formulations in Large-Eddy Simulation

Heterogeneous high--performance computing architectures expose numerical algorithms to perturbations arising from the non--associativity of floating--point arithmetic. In Large--Eddy Simulation (LES), similar numerical effects may become relevant when they affect the filter--width entering the subgrid scale (SGS) model. This work investigates this mechanism for the least--squares (LSQ) based filter--width formulation, focusing on how floating--point effects are generated, transmitted, and coupled with the resolved flow. We show that, for fixed resolved kinematics, the LSQ filter--width is logarithmically non-expansive but not strictly contractive with respect to perturbations of the mesh metrics. Consequently, small disturbances may be transmitted with little attenuation through strongly directional filter-width responses. To mitigate this sensitivity, we introduce a scalar max--min compression of the directional mesh scales together with a bounded modulation based on the resolved velocity gradient. The resulting formulation reroutes floating--point perturbations through the filter-width operator, improving robustness while preserving the flow--dependent character of the original LSQ construction. The framework is assessed on heterogeneous CPU and GPU architectures for flow past a circular cylinder at Re=3900 and the Taylor--Green vortex at Re=1600. In the former, nearly one--to--one transmission of relative metric disturbances can become relevant when the transmitted perturbations interact with shear-layer transition. By contrast, on orthogonal Taylor--Green vortex grids, the accumulation pathway is structurally absent and no comparable macroscopic response develops. These results suggest floating--point sensitivity matters for LES filter--width formulations in heterogeneous computing environments.

  • 4 authors
·
Sep 30

Training Transformers for Mesh-Based Simulations

Simulating physics using Graph Neural Networks (GNNs) is predominantly driven by message-passing architectures, which face challenges in scaling and efficiency, particularly in handling large, complex meshes. These architectures have inspired numerous enhancements, including multigrid approaches and K-hop aggregation (using neighbours of distance K), yet they often introduce significant complexity and suffer from limited in-depth investigations. In response to these challenges, we propose a novel Graph Transformer architecture that leverages the adjacency matrix as an attention mask. The proposed approach incorporates innovative augmentations, including Dilated Sliding Windows and Global Attention, to extend receptive fields without sacrificing computational efficiency. Through extensive experimentation, we evaluate model size, adjacency matrix augmentations, positional encoding and K-hop configurations using challenging 3D computational fluid dynamics (CFD) datasets. We also train over 60 models to find a scaling law between training FLOPs and parameters. The introduced models demonstrate remarkable scalability, performing on meshes with up to 300k nodes and 3 million edges. Notably, the smallest model achieves parity with MeshGraphNet while being 7times faster and 6times smaller. The largest model surpasses the previous state-of-the-art by 38.8\% on average and outperforms MeshGraphNet by 52\% on the all-rollout RMSE, while having a similar training speed. Code and datasets are available at https://github.com/DonsetPG/graph-physics.

  • 4 authors
·
Aug 25, 2025

AB-UPT: Scaling Neural CFD Surrogates for High-Fidelity Automotive Aerodynamics Simulations via Anchored-Branched Universal Physics Transformers

Recent advances in neural surrogate modeling offer the potential for transformative innovations in applications such as automotive aerodynamics. Yet, industrial-scale problems often involve volumetric meshes with cell counts reaching the 100 millions, presenting major scalability challenges. Complex geometries further complicate modeling through intricate surface-volume interactions, while quantities such as vorticity are highly nonlinear and must satisfy strict divergence-free constraints. To address these requirements, we introduce AB-UPT as a novel modeling scheme for building neural surrogates for CFD simulations. AB-UPT is designed to: (i) decouple geometry encoding and prediction tasks via multi-branch operators; (ii) enable scalability to high-resolution outputs via neural simulation in a low-dimensional latent space, coupled with anchored neural field decoders to predict high-fidelity outputs; (iii) enforce physics consistency by a novel divergence-free formulation. We show that AB-UPT yields state-of-the-art predictive accuracy of surface and volume fields on automotive CFD simulations ranging from 33 thousand up to 150 million mesh cells. Furthermore, our anchored neural field architecture enables the enforcement of hard physical constraints on the physics predictions without degradation in performance, exemplified by modeling divergence-free vorticity fields. Notably, the proposed models can be trained on a single GPU in less than a day and predict industry-standard surface and volume fields within seconds. Additionally, we show that the flexible design of our method enables neural simulation from a CAD geometry alone, omitting the need for costly CFD meshing procedures.

  • 7 authors
·
Feb 13, 2025

MPI-Flow: Learning Realistic Optical Flow with Multiplane Images

The accuracy of learning-based optical flow estimation models heavily relies on the realism of the training datasets. Current approaches for generating such datasets either employ synthetic data or generate images with limited realism. However, the domain gap of these data with real-world scenes constrains the generalization of the trained model to real-world applications. To address this issue, we investigate generating realistic optical flow datasets from real-world images. Firstly, to generate highly realistic new images, we construct a layered depth representation, known as multiplane images (MPI), from single-view images. This allows us to generate novel view images that are highly realistic. To generate optical flow maps that correspond accurately to the new image, we calculate the optical flows of each plane using the camera matrix and plane depths. We then project these layered optical flows into the output optical flow map with volume rendering. Secondly, to ensure the realism of motion, we present an independent object motion module that can separate the camera and dynamic object motion in MPI. This module addresses the deficiency in MPI-based single-view methods, where optical flow is generated only by camera motion and does not account for any object movement. We additionally devise a depth-aware inpainting module to merge new images with dynamic objects and address unnatural motion occlusions. We show the superior performance of our method through extensive experiments on real-world datasets. Moreover, our approach achieves state-of-the-art performance in both unsupervised and supervised training of learning-based models. The code will be made publicly available at: https://github.com/Sharpiless/MPI-Flow.

  • 4 authors
·
Sep 13, 2023

Gaussian-Flow: 4D Reconstruction with Dynamic 3D Gaussian Particle

We introduce Gaussian-Flow, a novel point-based approach for fast dynamic scene reconstruction and real-time rendering from both multi-view and monocular videos. In contrast to the prevalent NeRF-based approaches hampered by slow training and rendering speeds, our approach harnesses recent advancements in point-based 3D Gaussian Splatting (3DGS). Specifically, a novel Dual-Domain Deformation Model (DDDM) is proposed to explicitly model attribute deformations of each Gaussian point, where the time-dependent residual of each attribute is captured by a polynomial fitting in the time domain, and a Fourier series fitting in the frequency domain. The proposed DDDM is capable of modeling complex scene deformations across long video footage, eliminating the need for training separate 3DGS for each frame or introducing an additional implicit neural field to model 3D dynamics. Moreover, the explicit deformation modeling for discretized Gaussian points ensures ultra-fast training and rendering of a 4D scene, which is comparable to the original 3DGS designed for static 3D reconstruction. Our proposed approach showcases a substantial efficiency improvement, achieving a 5times faster training speed compared to the per-frame 3DGS modeling. In addition, quantitative results demonstrate that the proposed Gaussian-Flow significantly outperforms previous leading methods in novel view rendering quality. Project page: https://nju-3dv.github.io/projects/Gaussian-Flow

  • 4 authors
·
Dec 6, 2023

MultiLevel Variational MultiScale (ML-VMS) framework for large-scale simulation

In this paper, we propose the MultiLevel Variational MultiScale (ML-VMS) method, a novel approach that seamlessly integrates a multilevel mesh strategy into the Variational Multiscale (VMS) framework. A key feature of the ML-VMS method is the use of the Convolutional Hierarchical Deep Neural Network (C-HiDeNN) as the approximation basis. The framework employs a coarse mesh throughout the domain, with localized fine meshes placed only in subdomains of high interest, such as those surrounding a source. Solutions at different resolutions are robustly coupled through the variational weak form and interface conditions. Compared to existing multilevel methods, ML-VMS (1) can couple an arbitrary number of mesh levels across different scales using variational multiscale framework; (2) allows approximating functions with arbitrary orders with linear finite element mesh due to the C-HiDeNN basis; (3) is supported by a rigorous theoretical error analysis; (4) features several tunable hyperparameters (e.g., order p, patch size s) with a systematic guide for their selection. We first show the theoretical error estimates of ML-VMS. Then through numerical examples, we demonstrate that ML-VMS with the C-HiDeNN takes less computational time than the FEM basis given comparable accuracy. Furthermore, we incorporate a space-time reduced-order model (ROM) based on C-HiDeNN-Tensor Decomposition (TD) into the ML-VMS framework. For a large-scale single-track laser powder bed fusion (LPBF) transient heat transfer problem that is equivalent to a full-order finite element model with 10^{10} spatial degrees of freedom (DoFs), our 3-level ML-VMS C-HiDeNN-TD achieves an approximately 5,000x speedup on a single CPU over a single-level linear FEM-TD ROM.

  • 5 authors
·
Oct 27, 2025

Towards Universal Mesh Movement Networks

Solving complex Partial Differential Equations (PDEs) accurately and efficiently is an essential and challenging problem in all scientific and engineering disciplines. Mesh movement methods provide the capability to improve the accuracy of the numerical solution without increasing the overall mesh degree of freedom count. Conventional sophisticated mesh movement methods are extremely expensive and struggle to handle scenarios with complex boundary geometries. However, existing learning-based methods require re-training from scratch given a different PDE type or boundary geometry, which limits their applicability, and also often suffer from robustness issues in the form of inverted elements. In this paper, we introduce the Universal Mesh Movement Network (UM2N), which -- once trained -- can be applied in a non-intrusive, zero-shot manner to move meshes with different size distributions and structures, for solvers applicable to different PDE types and boundary geometries. UM2N consists of a Graph Transformer (GT) encoder for extracting features and a Graph Attention Network (GAT) based decoder for moving the mesh. We evaluate our method on advection and Navier-Stokes based examples, as well as a real-world tsunami simulation case. Our method outperforms existing learning-based mesh movement methods in terms of the benchmarks described above. In comparison to the conventional sophisticated Monge-Amp\`ere PDE-solver based method, our approach not only significantly accelerates mesh movement, but also proves effective in scenarios where the conventional method fails. Our project page is at https://erizmr.github.io/UM2N/.

  • 8 authors
·
Jun 29, 2024

UltraShape 1.0: High-Fidelity 3D Shape Generation via Scalable Geometric Refinement

In this report, we introduce UltraShape 1.0, a scalable 3D diffusion framework for high-fidelity 3D geometry generation. The proposed approach adopts a two-stage generation pipeline: a coarse global structure is first synthesized and then refined to produce detailed, high-quality geometry. To support reliable 3D generation, we develop a comprehensive data processing pipeline that includes a novel watertight processing method and high-quality data filtering. This pipeline improves the geometric quality of publicly available 3D datasets by removing low-quality samples, filling holes, and thickening thin structures, while preserving fine-grained geometric details. To enable fine-grained geometry refinement, we decouple spatial localization from geometric detail synthesis in the diffusion process. We achieve this by performing voxel-based refinement at fixed spatial locations, where voxel queries derived from coarse geometry provide explicit positional anchors encoded via RoPE, allowing the diffusion model to focus on synthesizing local geometric details within a reduced, structured solution space. Our model is trained exclusively on publicly available 3D datasets, achieving strong geometric quality despite limited training resources. Extensive evaluations demonstrate that UltraShape 1.0 performs competitively with existing open-source methods in both data processing quality and geometry generation. All code and trained models will be released to support future research.

  • 13 authors
·
Dec 24, 2025 4

X-MeshGraphNet: Scalable Multi-Scale Graph Neural Networks for Physics Simulation

Graph Neural Networks (GNNs) have gained significant traction for simulating complex physical systems, with models like MeshGraphNet demonstrating strong performance on unstructured simulation meshes. However, these models face several limitations, including scalability issues, requirement for meshing at inference, and challenges in handling long-range interactions. In this work, we introduce X-MeshGraphNet, a scalable, multi-scale extension of MeshGraphNet designed to address these challenges. X-MeshGraphNet overcomes the scalability bottleneck by partitioning large graphs and incorporating halo regions that enable seamless message passing across partitions. This, combined with gradient aggregation, ensures that training across partitions is equivalent to processing the entire graph at once. To remove the dependency on simulation meshes, X-MeshGraphNet constructs custom graphs directly from tessellated geometry files (e.g., STLs) by generating point clouds on the surface or volume of the object and connecting k-nearest neighbors. Additionally, our model builds multi-scale graphs by iteratively combining coarse and fine-resolution point clouds, where each level refines the previous, allowing for efficient long-range interactions. Our experiments demonstrate that X-MeshGraphNet maintains the predictive accuracy of full-graph GNNs while significantly improving scalability and flexibility. This approach eliminates the need for time-consuming mesh generation at inference, offering a practical solution for real-time simulation across a wide range of applications. The code for reproducing the results presented in this paper is available through NVIDIA Modulus.

  • 4 authors
·
Dec 19, 2024

SplatFlow: Learning Multi-frame Optical Flow via Splatting

The occlusion problem remains a crucial challenge in optical flow estimation (OFE). Despite the recent significant progress brought about by deep learning, most existing deep learning OFE methods still struggle to handle occlusions; in particular, those based on two frames cannot correctly handle occlusions because occluded regions have no visual correspondences. However, there is still hope in multi-frame settings, which can potentially mitigate the occlusion issue in OFE. Unfortunately, multi-frame OFE (MOFE) remains underexplored, and the limited studies on it are mainly specially designed for pyramid backbones or else obtain the aligned previous frame's features, such as correlation volume and optical flow, through time-consuming backward flow calculation or non-differentiable forward warping transformation. This study proposes an efficient MOFE framework named SplatFlow to address these shortcomings. SplatFlow introduces the differentiable splatting transformation to align the previous frame's motion feature and designs a Final-to-All embedding method to input the aligned motion feature into the current frame's estimation, thus remodeling the existing two-frame backbones. The proposed SplatFlow is efficient yet more accurate, as it can handle occlusions properly. Extensive experimental evaluations show that SplatFlow substantially outperforms all published methods on the KITTI2015 and Sintel benchmarks. Especially on the Sintel benchmark, SplatFlow achieves errors of 1.12 (clean pass) and 2.07 (final pass), with surprisingly significant 19.4% and 16.2% error reductions, respectively, from the previous best results submitted. The code for SplatFlow is available at https://github.com/wwsource/SplatFlow.

  • 7 authors
·
Jun 15, 2023

Spatiotemporal Pyramid Flow Matching for Climate Emulation

Generative models have the potential to transform the way we emulate Earth's changing climate. Previous generative approaches rely on weather-scale autoregression for climate emulation, but this is inherently slow for long climate horizons and has yet to demonstrate stable rollouts under nonstationary forcings. Here, we introduce Spatiotemporal Pyramid Flows (SPF), a new class of flow matching approaches that model data hierarchically across spatial and temporal scales. Inspired by cascaded video models, SPF partitions the generative trajectory into a spatiotemporal pyramid, progressively increasing spatial resolution to reduce computation and coupling each stage with an associated timescale to enable direct sampling at any temporal level in the pyramid. This design, together with conditioning each stage on prescribed physical forcings (e.g., greenhouse gases or aerosols), enables efficient, parallel climate emulation at multiple timescales. On ClimateBench, SPF outperforms strong flow matching baselines and pre-trained models at yearly and monthly timescales while offering fast sampling, especially at coarser temporal levels. To scale SPF, we curate ClimateSuite, the largest collection of Earth system simulations to date, comprising over 33,000 simulation-years across ten climate models and the first dataset to include simulations of climate interventions. We find that the scaled SPF model demonstrates good generalization to held-out scenarios across climate models. Together, SPF and ClimateSuite provide a foundation for accurate, efficient, probabilistic climate emulation across temporal scales and realistic future scenarios. Data and code is publicly available at https://github.com/stanfordmlgroup/spf .

  • 9 authors
·
Nov 30, 2025

Surface Extraction from Neural Unsigned Distance Fields

We propose a method, named DualMesh-UDF, to extract a surface from unsigned distance functions (UDFs), encoded by neural networks, or neural UDFs. Neural UDFs are becoming increasingly popular for surface representation because of their versatility in presenting surfaces with arbitrary topologies, as opposed to the signed distance function that is limited to representing a closed surface. However, the applications of neural UDFs are hindered by the notorious difficulty in extracting the target surfaces they represent. Recent methods for surface extraction from a neural UDF suffer from significant geometric errors or topological artifacts due to two main difficulties: (1) A UDF does not exhibit sign changes; and (2) A neural UDF typically has substantial approximation errors. DualMesh-UDF addresses these two difficulties. Specifically, given a neural UDF encoding a target surface S to be recovered, we first estimate the tangent planes of S at a set of sample points close to S. Next, we organize these sample points into local clusters, and for each local cluster, solve a linear least squares problem to determine a final surface point. These surface points are then connected to create the output mesh surface, which approximates the target surface. The robust estimation of the tangent planes of the target surface and the subsequent minimization problem constitute our core strategy, which contributes to the favorable performance of DualMesh-UDF over other competing methods. To efficiently implement this strategy, we employ an adaptive Octree. Within this framework, we estimate the location of a surface point in each of the octree cells identified as containing part of the target surface. Extensive experiments show that our method outperforms existing methods in terms of surface reconstruction quality while maintaining comparable computational efficiency.

  • 8 authors
·
Sep 16, 2023

Meshy T2: Fast Native Mesh Generation with Flow Matching

Polygonal meshes are the standard surface representation of modern 3D pipelines, and generating high-quality meshes with artist-style topology is essential for film, gaming, and interactive 3D applications. Mainstream approaches serialize a mesh into a token sequence and decode it autoregressively, which is slow at inference and sensitive to error accumulation, making them impractical for interactive asset creation. We present Meshy T2, a fast native mesh generation framework built on flow matching. At its core is a vertex-set mesh VAE that encodes a mesh into one continuous latent token per vertex and decodes vertices, edge connectivity, and face winding order in a single pass, preserving high-precision geometry and artist-authored topology without vertex quantization or welding. Generation proceeds as a coarse-to-fine cascade of two flow-matching models: an image-conditioned voxel flow first sketches the overall shape as a coarse occupancy scaffold, and a mesh flow then populates the scaffold with per-vertex latent tokens, conditioned on the image, the scaffold, and a requested vertex budget. This design delivers three practical capabilities: interactive generation speed through parallel flow-based synthesis; effective face-count control through the requested vertex budget; and native support for multi-part assets, whose components emerge directly from the generated connectivity. In our experiments, Meshy T2 achieves state-of-the-art geometric fidelity and completes end-to-end image-to-mesh generation within a median of 6 seconds, over an order of magnitude faster than autoregressive baselines. Code and weights will be available at https://github.com/meshy-dev/meshy-t2.

meshy-ai-team Meshy
·
Jul 27 1

FluxNet: Learning Capacity-Constrained Local Transport Operators for Conservative and Bounded PDE Surrogates

Autoregressive learning of time-stepping operators provides an effective approach to data-driven partial differential equation (PDE) simulation, yet for conservation laws, they face a fundamental challenge: learned updates may violate global conservation over long rollouts. For the important subclass of mass-conservation-type equations, the problem is compounded by inherent physical bounds (e.g., nonnegativity or concentrations in [0,1]) whose violation further destabilizes predictions. We introduce FluxNet, which learns cumulative transport amounts representing the total conserved quantity redistributed between each cell and a configurable neighborhood over the full surrogate interval. A conservative update guarantees exact discrete conservation by construction; modular capacity-constrained transport heads (L, U, and D) enforce lower bounds, upper bounds, or near-zero dual-bound violations through architectural design. Unlike flux-rate surrogates that require temporal integration and thus inherit CFL constraints, FluxNet involves no such integration; configurable transport neighborhoods enable large-timestep prediction at full spatial resolution. Ghost cells extend the framework to non-periodic boundaries. Experiments on four benchmarks (1D convection--diffusion, 2D shallow water, 1D traffic flow, 2D Cahn--Hilliard) demonstrate exact conservation, structural bound preservation, architecture modularity, and superior stability over flux-rate surrogates at large temporal strides. The code is publicly available at: https://github.com/Lan-zs/FluxNet.

  • 4 authors
·
May 25

3D Dynamic Fluid Assets from Single-View Videos with Generative Gaussian Splatting

While the generation of 3D content from single-view images has been extensively studied, the creation of physically consistent 3D dynamic scenes from videos remains in its early stages. We propose a novel framework leveraging generative 3D Gaussian Splatting (3DGS) models to extract and re-simulate 3D dynamic fluid objects from single-view videos using simulation methods. The fluid geometry represented by 3DGS is initially generated and optimized from single-view images, then denoised, densified, and aligned across frames. We estimate the fluid surface velocity using optical flow, propose a mainstream extraction algorithm to refine it. The 3D volumetric velocity field is then derived from the velocity of the fluid's enclosed surface. The velocity field is therewith converted into a divergence-free, grid-based representation, enabling the optimization of simulation parameters through its differentiability across frames. This process outputs simulation-ready fluid assets with physical dynamics closely matching those observed in the source video. Our approach is applicable to various liquid fluids, including inviscid and viscous types, and allows users to edit the output geometry or extend movement durations seamlessly. This automatic method for creating 3D dynamic fluid assets from single-view videos, easily obtainable from the internet, shows great potential for generating large-scale 3D fluid assets at a low cost.

  • 4 authors
·
Oct 29, 2025

TripoSG: High-Fidelity 3D Shape Synthesis using Large-Scale Rectified Flow Models

Recent advancements in diffusion techniques have propelled image and video generation to unprece- dented levels of quality, significantly accelerating the deployment and application of generative AI. However, 3D shape generation technology has so far lagged behind, constrained by limitations in 3D data scale, complexity of 3D data process- ing, and insufficient exploration of advanced tech- niques in the 3D domain. Current approaches to 3D shape generation face substantial challenges in terms of output quality, generalization capa- bility, and alignment with input conditions. We present TripoSG, a new streamlined shape diffu- sion paradigm capable of generating high-fidelity 3D meshes with precise correspondence to input images. Specifically, we propose: 1) A large-scale rectified flow transformer for 3D shape generation, achieving state-of-the-art fidelity through training on extensive, high-quality data. 2) A hybrid supervised training strategy combining SDF, normal, and eikonal losses for 3D VAE, achieving high- quality 3D reconstruction performance. 3) A data processing pipeline to generate 2 million high- quality 3D samples, highlighting the crucial rules for data quality and quantity in training 3D gen- erative models. Through comprehensive experi- ments, we have validated the effectiveness of each component in our new framework. The seamless integration of these parts has enabled TripoSG to achieve state-of-the-art performance in 3D shape generation. The resulting 3D shapes exhibit en- hanced detail due to high-resolution capabilities and demonstrate exceptional fidelity to input im- ages. Moreover, TripoSG demonstrates improved versatility in generating 3D models from diverse image styles and contents, showcasing strong gen- eralization capabilities. To foster progress and innovation in the field of 3D generation, we will make our model publicly available.

  • 11 authors
·
Feb 10, 2025 4

Implicit Neural Spatial Representations for Time-dependent PDEs

Implicit Neural Spatial Representation (INSR) has emerged as an effective representation of spatially-dependent vector fields. This work explores solving time-dependent PDEs with INSR. Classical PDE solvers introduce both temporal and spatial discretizations. Common spatial discretizations include meshes and meshless point clouds, where each degree-of-freedom corresponds to a location in space. While these explicit spatial correspondences are intuitive to model and understand, these representations are not necessarily optimal for accuracy, memory usage, or adaptivity. Keeping the classical temporal discretization unchanged (e.g., explicit/implicit Euler), we explore INSR as an alternative spatial discretization, where spatial information is implicitly stored in the neural network weights. The network weights then evolve over time via time integration. Our approach does not require any training data generated by existing solvers because our approach is the solver itself. We validate our approach on various PDEs with examples involving large elastic deformations, turbulent fluids, and multi-scale phenomena. While slower to compute than traditional representations, our approach exhibits higher accuracy and lower memory consumption. Whereas classical solvers can dynamically adapt their spatial representation only by resorting to complex remeshing algorithms, our INSR approach is intrinsically adaptive. By tapping into the rich literature of classic time integrators, e.g., operator-splitting schemes, our method enables challenging simulations in contact mechanics and turbulent flows where previous neural-physics approaches struggle. Videos and codes are available on the project page: http://www.cs.columbia.edu/cg/INSR-PDE/

  • 5 authors
·
Sep 30, 2022

Interactive 4D Volumetric Liquid Forecasting under Moving-Solid Interaction

We propose the task of Interactive 4D Volumetric Liquid Forecasting: predicting the spatiotemporal evolution of a future dense 3D liquid velocity field conditioned on how a solid object moves through it. This task provides an upstream physical forecasting primitive for systems that need to reason about motion-conditioned liquid response, including robotic liquid manipulation, digital twins, and rigid-fluid video generation. Existing works have made efforts in predicting flow around static or prescribed solid geometries and synthesizing visually plausible fluid motion. Yet these approaches provide limited coverage for interactive liquid dynamics, as they are not capable of forecasting how a moving solid induces a future full-domain liquid response. In this forecasting scenario, the hydrodynamic effect is condensed near an evolving liquid-solid interface, but the prediction target is a global spatiotemporal rollout. To address this challenge, we propose a two-level recurrent forecasting framework, TIDE/TIDES: TIDE isolates localized interface-driven forecasting, while TIDES adds transport-aware coupling and explicit stabilization to reduce accumulated rollout error. Across adapted neighboring baselines, controlled component ablations, motion/size OOD tests, and long-horizon evaluation, TIDES achieves the best forecasting performance and the ablations identify localized interaction, transport coupling, and stabilization as the key contributors. Together, our task formulation, benchmark, and TIDE/TIDES study establish a controlled foundation for moving-solid-conditioned dense liquid forecasting. The code is publicly available at https://github.com/jongwonryu/TIDE-TIDES.

  • 3 authors
·
Oct 11

Dandelion: A Spherical Flower for Neural Simulation of Planetary Dynamics

Many dynamical processes unfold on the sphere but the default scientific machine learning architectures are Euclidean. Applying these architectures on a regular lat-lon grid causes problems: Cartesian convolutions become distorted at high latitude; 2D FFTs in Fourier neural operators incorrectly assume double periodicity; Cartesian positional encodings in ViTs distort spherical geodesic distances. Recent work moves towards natively spherical primitives, including spherical convolutions (e.g., DeepSphere or DISCO), Spherical Fourier Neural Operators (SFNOs), and geodesic attention. Here we propose Dandelion, a spherical version of Flower, a warp-based neural PDE solver. Layers of Dandelion predict a tangent-plane displacement and transport features along great circles. We obtain a U-Net-like structure by implementing hierarchical pooling entirely in the spherical-harmonic domain. There are thus no convolutions: spatial mixing is achieved only through spherical coordinate changes, or warps. To compare Dandelion with existing spherical architectures, we release an evolving benchmark suite of challenging, natively-spherical PDE datasets including a modified Galewsky jet, anomalous chained turbulence, Cahn-Hilliard decomposition, spherical Riemann shocks, Held-Suarez dry atmospheric transport and global ocean dynamics. This new benchmark fills the gap in existing spherical datasets which are either too small and stylized, or much too large (ERA5) for model iteration. Dandelion is best or second-best on every dataset, and the gap to non-warp baselines widens with resolution: at 256times 512, Dandelion and Flower2D occupy the top two slots in both single-step prediction and rollout.

  • 3 authors
·
Aug 26

Differentiable Voronoi Ray Tracing Beyond Rasterization Speeds

Real-time novel view synthesis is dominated by rasterized explicit primitives. These projection-based pipelines provide high throughput but require specialized extensions for non-pinhole effects such as distortion, rolling shutter, and depth of field. Ray-based rendering expresses these effects naturally but is generally assumed too slow for competitive real-time rendering. We analyze the factors governing throughput in differentiable Voronoi ray tracing and identify traversal length, per-cell work, and memory locality as principal determinants. Guided by this, we introduce VoroTracing, which co-designs the scene representation, optimization, and GPU execution to reduce these costs. Compact octahedral appearance textures reduce memory traffic, while surface-concentrated opacity promotes early termination. The fixed-budget representation is optimized without pruning or densification and rendered with a GPU implementation designed for coherent traversal. On Mip-NeRF 360, VoroTracing renders at 623 FPS on an RTX 5090, providing 3.2times the throughput of the fastest prior ray-based method and 2.8times that of 3D Gaussian Splatting, while maintaining competitive reconstruction quality. Our renderer supports fisheye, rolling-shutter, motion-blur, and depth-of-field effects through ray generation and sampling, requiring no specialized rasterization. These results show that real-time throughput can be achieved with the flexibility of ray-based rendering. We release our source code, see https://research.zenseact.com/publications/vorotracing

  • 4 authors
·
Aug 17

WorldFlow: Joint Video and 3D Motion Prediction via Large-Scale Pretraining

Predicting future physical states stands as a central challenge in embodied intelligence. Existing video world models leave 3D dynamics implicit, action-based formulations remain tied to specific robot configurations, and 3D motion prediction models use flow-only supervision, providing a limited learning signal for physical dynamics. To circumvent these limitations, we introduce , a generative world model that jointly predicts future video and query-based 3D trajectories. By parameterizing 3D motion as continuous displacement tokens aligned with the video grid, a unified Mixture-of-Transformers (MoT) backbone jointly denoises both modalities under a rectified-flow objective. This formulation couples explicit geometric dynamics with visual evolution, effectively unlocking the physical commonsense embedded within pretrained video models. To empirically scale and validate this unified architecture, we train on a heterogeneous mixture of 1.44 million object-level samples spanning simulated and real-world domains. We further introduce WorldFlowBench, comprising 1,678 evaluation samples from 11 data sources across simulated and real-world interactions, including spatial reasoning tasks. Across all three evaluation sets, WorldFlow achieves the lowest average displacement error (ADE) and final displacement error (FDE) among the evaluated learning-based methods. Notably, on the challenging SpatialCog set, WorldFlow achieves an ADE of 0.060 m, a 54.2\% reduction compared with the strongest external baseline. It also reduces ADE and FDE by 55.9\% and 68.5\%, respectively, compared with its flow-only variant. Project page: https://worldflow-rbs.github.io/.

  • 12 authors
·
Oct 28 2

Finite difference method in prolate spheroidal coordinates for freely suspended spheroidal particles in linear flows of viscous and viscoelastic fluids

A finite difference scheme is used to develop a numerical method to solve the flow of an unbounded viscoelastic fluid with zero to moderate inertia around a prolate spheroidal particle. The equations are written in prolate spheroidal coordinates, and the shape of the particle is exactly resolved as one of the coordinate surfaces representing the inner boundary of the computational domain. As the prolate spheroidal grid is naturally clustered near the particle surface, good resolution is obtained in the regions where the gradients of relevant flow variables are most significant. This coordinate system also allows large domain sizes with a reasonable number of mesh points to simulate unbounded fluid around a particle. Changing the aspect ratio of the inner computational boundary enables simulations of different particle shapes ranging from a sphere to a slender fiber. Numerical studies of the latter particle shape allow testing of slender body theories. The mass and momentum equations are solved with a Schur complement approach allowing us to solve the zero inertia case necessary to isolate the viscoelastic effects. The singularities associated with the coordinate system are overcome using L'Hopital's rule. A straightforward imposition of conditions representing a time-varying combination of linear flows on the outer boundary allows us to study various flows with the same computational domain geometry. {For the special but important case of zero fluid and particle inertia we obtain a novel formulation that satisfies the force- and torque-free constraint in an iteration-free manner.} The numerical method is demonstrated for various flows of Newtonian and viscoelastic fluids around spheres and spheroids (including those with large aspect ratio). Good agreement is demonstrated with existing theoretical and numerical results.

  • 2 authors
·
Oct 9, 2023

DiffWind: Physics-Informed Differentiable Modeling of Wind-Driven Object Dynamics

Modeling wind-driven object dynamics from video observations is highly challenging due to the invisibility and spatio-temporal variability of wind, as well as the complex deformations of objects. We present DiffWind, a physics-informed differentiable framework that unifies wind-object interaction modeling, video-based reconstruction, and forward simulation. Specifically, we represent wind as a grid-based physical field and objects as particle systems derived from 3D Gaussian Splatting, with their interaction modeled by the Material Point Method (MPM). To recover wind-driven object dynamics, we introduce a reconstruction framework that jointly optimizes the spatio-temporal wind force field and object motion through differentiable rendering and simulation. To ensure physical validity, we incorporate the Lattice Boltzmann Method (LBM) as a physics-informed constraint, enforcing compliance with fluid dynamics laws. Beyond reconstruction, our method naturally supports forward simulation under novel wind conditions and enables new applications such as wind retargeting. We further introduce WD-Objects, a dataset of synthetic and real-world wind-driven scenes. Extensive experiments demonstrate that our method significantly outperforms prior dynamic scene modeling approaches in both reconstruction accuracy and simulation fidelity, opening a new avenue for video-based wind-object interaction modeling.

  • 13 authors
·
May 17

Space and Time Continuous Physics Simulation From Partial Observations

Modern techniques for physical simulations rely on numerical schemes and mesh-refinement methods to address trade-offs between precision and complexity, but these handcrafted solutions are tedious and require high computational power. Data-driven methods based on large-scale machine learning promise high adaptivity by integrating long-range dependencies more directly and efficiently. In this work, we focus on fluid dynamics and address the shortcomings of a large part of the literature, which are based on fixed support for computations and predictions in the form of regular or irregular grids. We propose a novel setup to perform predictions in a continuous spatial and temporal domain while being trained on sparse observations. We formulate the task as a double observation problem and propose a solution with two interlinked dynamical systems defined on, respectively, the sparse positions and the continuous domain, which allows to forecast and interpolate a solution from the initial condition. Our practical implementation involves recurrent GNNs and a spatio-temporal attention observer capable of interpolating the solution at arbitrary locations. Our model not only generalizes to new initial conditions (as standard auto-regressive models do) but also performs evaluation at arbitrary space and time locations. We evaluate on three standard datasets in fluid dynamics and compare to strong baselines, which are outperformed both in classical settings and in the extended new task requiring continuous predictions.

  • 4 authors
·
Jan 17, 2024

UniFlowWAM: A Unified World-Action Model with Visual Semantics and 4D Geometry

Robot demonstrations record what the robot saw and what it did. They do not specify how the 3D world changed in between. Scene-level 3D flow describes it by tracking 3D scene points, providing the world representation with 4D geometry. Prior work has used flow to improve robot policies. Flow served as an intermediate prediction that a separate model converts into actions, as a prior injected at inference time, or as an extra output learned together with the action. In all of these designs, flow stays outside the policy, as a separate module or as an extra prediction head. We introduce UniFlowWAM, a Unified World-Action Model that makes 3D scene flow a third modality on par with vision and action. Its world representation therefore covers both visual semantics, through future visual features, and 4D geometry, through 3D flow, and flow receives its own supervision. UniFlowWAM is a diffusion transformer with one expert per modality, and the three experts exchange information through joint attention. We train UniFlowWAM under a ten-objective role grid, where each objective assigns every modality exactly one of three roles, namely target, condition, or absent. The same model thus serves as a policy, as forward and inverse dynamics, and as a predictor of future visual features or 3D flow. We evaluate UniFlowWAM on RoboCasa-GR1, LIBERO, and LIBERO-Plus in simulation, and on four real-world bimanual manipulation tasks. On RoboCasa-GR1, UniFlowWAM raises the success rate of its base model without flow from 52.1% to 56.4%. It preserves in-distribution success on LIBERO at 98.1% and reaches 87.7% zero-shot on LIBERO-Plus. On the real robot, it achieves 87.0% average success, compared with 68.5% for the strongest baseline.

  • 8 authors
·
Oct 21

SplitFlow: Flow Decomposition for Inversion-Free Text-to-Image Editing

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

  • 6 authors
·
Oct 29, 2025

A Physics-Informed Fourier-Wavelet Transformer for Multiscale Computational Fluid Dynamics Surrogate Modeling

Physics-informed surrogate models can accelerate computational fluid dynamics simulations. However, many existing methods reproduce global flow patterns more reliably than localized multiscale structures. This study presents a physics-informed Fourier-wavelet transformer for next-step velocity-field reconstruction in real-world flow benchmarks. The proposed formulation combines hybrid Fourier-wavelet spectral encoding with physics-biased self-attention based on partial differential equation residual diagnostics. It also uses self-supervised pretraining through Masked Physics Prediction and Equation Consistency Prediction. The experiments are conducted on two real benchmark cases: cylinder-wake flow and fluid-structure interaction. All approaches are evaluated under a shared local protocol and compared with spectral, transformer-based, operator-learning, and physics-informed neural-network baselines. On the cylinder-wake benchmark, the proposed model achieves the best aggregate accuracy, with an all-channel normalized mean-squared error of 0.05875 and an all-channel Pearson correlation coefficient of 0.97019. On the fluid-structure-interaction benchmark, it gives the lowest all-channel normalized mean-squared error of 2.70 times 10^{-4}, compared with 4.02 times 10^{-4} for the strongest baseline. Component-wise field comparisons and scale-separated diagnostics further show stronger recovery of localized wake structures, including near-body, wake-core, and far-wake features. The results demonstrate improved real-world flow reconstruction while maintaining a practical accuracy-cost tradeoff.

  • 3 authors
·
Jun 22

Rectified Diffusion: Straightness Is Not Your Need in Rectified Flow

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

  • 5 authors
·
Oct 9, 2024 3

The Flood Complex: Large-Scale Persistent Homology on Millions of Points

We consider the problem of computing persistent homology (PH) for large-scale Euclidean point cloud data, aimed at downstream machine learning tasks, where the exponential growth of the most widely-used Vietoris-Rips complex imposes serious computational limitations. Although more scalable alternatives such as the Alpha complex or sparse Rips approximations exist, they often still result in a prohibitively large number of simplices. This poses challenges in the complex construction and in the subsequent PH computation, prohibiting their use on large-scale point clouds. To mitigate these issues, we introduce the Flood complex, inspired by the advantages of the Alpha and Witness complex constructions. Informally, at a given filtration value rgeq 0, the Flood complex contains all simplices from a Delaunay triangulation of a small subset of the point cloud X that are fully covered by balls of radius r emanating from X, a process we call flooding. Our construction allows for efficient PH computation, possesses several desirable theoretical properties, and is amenable to GPU parallelization. Scaling experiments on 3D point cloud data show that we can compute PH of up to dimension 2 on several millions of points. Importantly, when evaluating object classification performance on real-world and synthetic data, we provide evidence that this scaling capability is needed, especially if objects are geometrically or topologically complex, yielding performance superior to other PH-based methods and neural networks for point cloud data. Source code and datasets are available on https://github.com/plus-rkwitt/flooder.

Foam-Agent 2.0: An End-to-End Composable Multi-Agent Framework for Automating CFD Simulation in OpenFOAM

Computational Fluid Dynamics (CFD) is an essential simulation tool in engineering, yet its steep learning curve and complex manual setup create significant barriers. To address these challenges, we introduce Foam-Agent, a multi-agent framework that automates the entire end-to-end OpenFOAM workflow from a single natural language prompt. Our key innovations address critical gaps in existing systems: 1. An Comprehensive End-to-End Simulation Automation: Foam-Agent is the first system to manage the full simulation pipeline, including advanced pre-processing with a versatile Meshing Agent capable of handling external mesh files and generating new geometries via Gmsh, automatic generation of HPC submission scripts, and post-simulation visualization via ParaView. 2. Composable Service Architecture: Going beyond a monolithic agent, the framework uses Model Context Protocol (MCP) to expose its core functions as discrete, callable tools. This allows for flexible integration and use by other agentic systems, such as Claude-code, for more exploratory workflows. 3. High-Fidelity Configuration Generation: We achieve superior accuracy through a Hierarchical Multi-Index RAG for precise context retrieval and a dependency-aware generation process that ensures configuration consistency. Evaluated on a benchmark of 110 simulation tasks, Foam-Agent achieves an 88.2% success rate with Claude 3.5 Sonnet, significantly outperforming existing frameworks (55.5% for MetaOpenFOAM). Foam-Agent dramatically lowers the expertise barrier for CFD, demonstrating how specialized multi-agent systems can democratize complex scientific computing. The code is public at https://github.com/csml-rpi/Foam-Agent.

  • 5 authors
·
Sep 17, 2025

Wavelet Latent Diffusion (Wala): Billion-Parameter 3D Generative Model with Compact Wavelet Encodings

Large-scale 3D generative models require substantial computational resources yet often fall short in capturing fine details and complex geometries at high resolutions. We attribute this limitation to the inefficiency of current representations, which lack the compactness required to model the generative models effectively. To address this, we introduce a novel approach called Wavelet Latent Diffusion, or WaLa, that encodes 3D shapes into wavelet-based, compact latent encodings. Specifically, we compress a 256^3 signed distance field into a 12^3 times 4 latent grid, achieving an impressive 2427x compression ratio with minimal loss of detail. This high level of compression allows our method to efficiently train large-scale generative networks without increasing the inference time. Our models, both conditional and unconditional, contain approximately one billion parameters and successfully generate high-quality 3D shapes at 256^3 resolution. Moreover, WaLa offers rapid inference, producing shapes within two to four seconds depending on the condition, despite the model's scale. We demonstrate state-of-the-art performance across multiple datasets, with significant improvements in generation quality, diversity, and computational efficiency. We open-source our code and, to the best of our knowledge, release the largest pretrained 3D generative models across different modalities.

  • 8 authors
·
Nov 12, 2024 2

StreamFlow: Streamlined Multi-Frame Optical Flow Estimation for Video Sequences

Occlusions between consecutive frames have long posed a significant challenge in optical flow estimation. The inherent ambiguity introduced by occlusions directly violates the brightness constancy constraint and considerably hinders pixel-to-pixel matching. To address this issue, multi-frame optical flow methods leverage adjacent frames to mitigate the local ambiguity. Nevertheless, prior multi-frame methods predominantly adopt recursive flow estimation, resulting in a considerable computational overlap. In contrast, we propose a streamlined in-batch framework that eliminates the need for extensive redundant recursive computations while concurrently developing effective spatio-temporal modeling approaches under in-batch estimation constraints. Specifically, we present a Streamlined In-batch Multi-frame (SIM) pipeline tailored to video input, attaining a similar level of time efficiency to two-frame networks. Furthermore, we introduce an efficient Integrative Spatio-temporal Coherence (ISC) modeling method for effective spatio-temporal modeling during the encoding phase, which introduces no additional parameter overhead. Additionally, we devise a Global Temporal Regressor (GTR) that effectively explores temporal relations during decoding. Benefiting from the efficient SIM pipeline and effective modules, StreamFlow not only excels in terms of performance on the challenging KITTI and Sintel datasets, with particular improvement in occluded areas but also attains a remarkable 63.82% enhancement in speed compared with previous multi-frame methods. The code will be available soon at https://github.com/littlespray/StreamFlow.

  • 6 authors
·
Nov 28, 2023

AnyFlow: Any-Step Video Diffusion Model with On-Policy Flow Map Distillation

Few-step video generation has been significantly advanced by consistency distillation. However, the performance of consistency-distilled models often degrades as more sampling steps are allocated at test time, limiting their effectiveness for any-step video diffusion. This limitation arises because consistency distillation replaces the original probability-flow ODE trajectory with a consistency-sampling trajectory, weakening the desirable test-time scaling behavior of ODE sampling. To address this limitation, we introduce AnyFlow, the first any-step video diffusion distillation framework based on flow maps. Instead of distilling a model for only a few fixed sampling steps, AnyFlow optimizes the full ODE sampling trajectory. To this end, we shift the distillation target from endpoint consistency mapping (z_{t}rightarrow z_{0}) to flow-map transition learning (z_{t}rightarrow z_{r}) over arbitrary time intervals. We further propose Flow Map Backward Simulation, which decomposes a full Euler rollout into shortcut flow-map transitions, enabling efficient on-policy distillation that reduces test-time errors (i.e., discretization error in few-step sampling and exposure bias in causal generation). Extensive experiments across both bidirectional and causal architectures, at scales ranging from 1.3B to 14B parameters, demonstrate that AnyFlow achieves performance matches or surpasses consistency-based counterparts in the few-step regime, while scaling with sampling step budgets.

nvidia NVIDIA
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May 12 2