new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Jun 17

From Simple to Complex: Curriculum-Guided Physics-Informed Neural Networks via Gaussian Mixture Models

Physics-informed neural networks (PINNs) offer a mesh-free framework for solving partial differential equations (PDEs), yet training often suffers from gradient pathologies, spectral bias, and poor convergence, especially for problems with strong nonlinearity, sharp gradients, or multiscale features. We propose the Curriculum-Guided Gaussian Mixture Physics-Informed Neural Network (CGMPINN), which integrates Gaussian mixture modeling with dynamic curriculum learning. Specifically, a GMM is periodically fitted to the PDE residual distribution to quantify spatially varying learning difficulty. A smooth curriculum schedule progressively shifts training focus from easy to harder regions, while precision-based variance modulation suppresses unreliable clusters during early optimization. This dual curriculum is governed by a shared curriculum parameter and can be combined with self-adaptive loss balancing. We further establish theoretical guarantees, including sublinear convergence of the gradient norm for the induced time-varying loss, uniform equivalence between the curriculum-weighted and standard PDE losses, and a generalization bound with an explicit weighting-induced bias characterization. Experiments on six benchmark PDEs spanning elliptic, parabolic, hyperbolic, advection-dominated, and nonlinear reaction-diffusion types show that CGMPINN consistently achieves the lowest relative L_2 and maximum absolute errors among all compared methods, reducing relative L_2 error by up to 97.8\% over the standard PINN at comparable cost. Our code is publicly available at https://github.com/Mathematics-Yang/CGMPINN.

  • 6 authors
·
May 18

PDEInvBench: A Comprehensive Dataset and Design Space Exploration of Neural Networks for PDE Inverse Problems

Inverse problems in partial differential equations (PDEs) involve estimating the physical parameters of a system from observed spatiotemporal solution fields.Neural networks are well-suited for PDE parameter estimation due to their capability to model function-to-function space transformations. While existing benchmarks of machine learning methods for PDEs primarily focus on the forward problem, there are no similar comprehensive studies and benchmark datasets on PDE inverse problems, i.e., mapping solution fields to underlying physical parameters. We fill this gap by introducing PDEInvBench, a comprehensive benchmark dataset consisting of numerical simulations for both time-dependent and time-independent PDEs across a wide range of physical behaviors and parameters. Our dataset includes evaluation splits that assess performance in both in-distribution and various out-of-distribution settings. Using our benchmark dataset, we comprehensively explore the design space of neural networks for PDE inverse problems along three key dimensions: (1) optimization procedures, analyzing the role of supervised, self-supervised, and test-time training objectives on performance, (2) problem representations, where we study the value of architectural choices with different inductive biases and various conditioning strategies, and (3) scaling, which we perform with respect to both model and data size. Our experiments reveal several practical insights: 1) neural networks perform best with a two-stage training procedure: initial supervision with PDE parameters followed by test-time fine-tuning using the PDE residual, 2) incorporating PDE derivatives as input features consistently improves accuracy, and 3) increasing the diversity of initial conditions in the training data yields greater performance gains than expanding the range of PDE parameters. We make our dataset and codebase publicly available.

  • 4 authors
·
May 24

CFDBench: A Large-Scale Benchmark for Machine Learning Methods in Fluid Dynamics

In recent years, applying deep learning to solve physics problems has attracted much attention. Data-driven deep learning methods produce fast numerical operators that can learn approximate solutions to the whole system of partial differential equations (i.e., surrogate modeling). Although these neural networks may have lower accuracy than traditional numerical methods, they, once trained, are orders of magnitude faster at inference. Hence, one crucial feature is that these operators can generalize to unseen PDE parameters without expensive re-training.In this paper, we construct CFDBench, a benchmark tailored for evaluating the generalization ability of neural operators after training in computational fluid dynamics (CFD) problems. It features four classic CFD problems: lid-driven cavity flow, laminar boundary layer flow in circular tubes, dam flows through the steps, and periodic Karman vortex street. The data contains a total of 302K frames of velocity and pressure fields, involving 739 cases with different operating condition parameters, generated with numerical methods. We evaluate the effectiveness of popular neural operators including feed-forward networks, DeepONet, FNO, U-Net, etc. on CFDBnech by predicting flows with non-periodic boundary conditions, fluid properties, and flow domain shapes that are not seen during training. Appropriate modifications were made to apply popular deep neural networks to CFDBench and enable the accommodation of more changing inputs. Empirical results on CFDBench show many baseline models have errors as high as 300% in some problems, and severe error accumulation when performing autoregressive inference. CFDBench facilitates a more comprehensive comparison between different neural operators for CFD compared to existing benchmarks.

  • 3 authors
·
Sep 13, 2023

PDEBENCH: An Extensive Benchmark for Scientific Machine Learning

Machine learning-based modeling of physical systems has experienced increased interest in recent years. Despite some impressive progress, there is still a lack of benchmarks for Scientific ML that are easy to use but still challenging and representative of a wide range of problems. We introduce PDEBench, a benchmark suite of time-dependent simulation tasks based on Partial Differential Equations (PDEs). PDEBench comprises both code and data to benchmark the performance of novel machine learning models against both classical numerical simulations and machine learning baselines. Our proposed set of benchmark problems contribute the following unique features: (1) A much wider range of PDEs compared to existing benchmarks, ranging from relatively common examples to more realistic and difficult problems; (2) much larger ready-to-use datasets compared to prior work, comprising multiple simulation runs across a larger number of initial and boundary conditions and PDE parameters; (3) more extensible source codes with user-friendly APIs for data generation and baseline results with popular machine learning models (FNO, U-Net, PINN, Gradient-Based Inverse Method). PDEBench allows researchers to extend the benchmark freely for their own purposes using a standardized API and to compare the performance of new models to existing baseline methods. We also propose new evaluation metrics with the aim to provide a more holistic understanding of learning methods in the context of Scientific ML. With those metrics we identify tasks which are challenging for recent ML methods and propose these tasks as future challenges for the community. The code is available at https://github.com/pdebench/PDEBench.

  • 7 authors
·
Oct 13, 2022

PDEAgent-Bench: A Multi-Metric, Multi-Library Benchmark for PDE Solver Generation

PDE-to-solver code generation aims to automatically synthesize executable numerical solvers from partial differential equation (PDE) specifications. This task requires not only understanding the mathematical structure of PDEs, but also selecting appropriate discretization schemes and solver configurations, and correctly implementing the resulting formulations in finite-element method (FEM) libraries. Existing code generation benchmarks mainly evaluate syntactic correctness, or success on predefined test cases. To our knowledge, there is currently no publicly available benchmark specifically for PDE-to-solver code generation, and general-purpose code benchmarks do not fully capture the unique challenges of numerical PDE solution, such as ensuring solver accuracy, efficiency, and compatibility with professional FEM libraries. We introduce PDEAgent-Bench, to the best of our knowledge, the first multi-metric, multi-library benchmark for PDE-to-solver code generation. PDEAgent-Bench contains 645 instances across 6 mathematical categories and 11 PDE families, with common FEM libraries for DOLFINx, Firedrake, and deal.II. Each instance provides an agent-facing problem specification, a reference solution on a prescribed evaluation grid, and case-specific accuracy and runtime targets. PDEAgent-Bench adopts a staged evaluation framework in which generated solvers must sequentially pass executability, numerical accuracy, and computational efficiency checks. Experiments with representative LLMs and code agents show that models can often produce runnable code, but their pass rate drops substantially once accuracy and efficiency requirements are enforced. These results indicate that current agents remain limited in producing numerically reliable and efficient PDE solvers, and that PDEAgent-Bench provides a reproducible testbed grounded in the practical requirements of numerical PDE solving.

  • 24 authors
·
May 9

ChaosBench: A Multi-Channel, Physics-Based Benchmark for Subseasonal-to-Seasonal Climate Prediction

Accurate prediction of climate in the subseasonal-to-seasonal scale is crucial for disaster readiness, reduced economic risk, and improved policy-making amidst climate change. Yet, S2S prediction remains challenging due to the chaotic nature of the system. At present, existing benchmarks for weather and climate applications, tend to (1) have shorter forecasting range of up-to 14 days, (2) do not include a wide range of operational baseline forecasts, and (3) lack physics-based constraints for explainability. Thus, we propose ChaosBench, a large-scale, multi-channel, physics-based benchmark for S2S prediction. ChaosBench has over 460K frames of real-world observations and simulations, each with 60 variable-channels and spanning for up-to 45 years. We also propose several physics-based, in addition to vision-based metrics, that enables for a more physically-consistent model. Furthermore, we include a diverse set of physics-based forecasts from 4 national weather agencies as baselines to our data-driven counterpart. We establish two tasks that vary in complexity: full and sparse dynamics prediction. Our benchmark is one of the first to perform large-scale evaluation on existing models including PanguWeather, FourCastNetV2, GraphCast, and ClimaX, and finds methods originally developed for weather-scale applications fails on S2S task. We release our benchmark code and datasets at https://leap-stc.github.io/ChaosBench.

  • 7 authors
·
Feb 1, 2024

Steady-Forcing: Balancing Spatial Persistence and Motion Continuity in Long-Horizon Nature Video Diffusion

Autoregressive video diffusion models enable streaming generation but often degrade over long rollouts: static scene layouts drift, while mechanisms that improve spatial stability tend to suppress motion, causing natural flows such as water, fire, or smoke to stagnate. We study this stability-motion trade-off in fixed-camera long-horizon nature video generation, where the two failure modes can be more clearly separated than in moving-camera settings. We propose Steady-Forcing, a memory and training framework combining a persistent visual anchor (V-Sink), an exponential moving-average motion memory (EMA-Sink), block-relative temporal encoding, periodic cache purification, and distillation from a Wan2.1-14B teacher with motion-rewarded priors under task-focused configurations. Together, these components are designed to preserve background identity while sustaining visually plausible fluid dynamics over multi-minute autoregressive rollouts. Evaluations across seven baselines show that Steady-Forcing improves long horizon background consistency and imaging quality, while a blind user study indicates stronger perceived stability and motion continuity. The benchmark evaluation further suggest that generic VBench aggregate scores under-penalize fixed-camera artifacts as well as rewarding drift-induced optical flow as Dynamic Degree while not directly penalizing texture hardening or flow stagnation - motivating future task-specific benchmarks for static-camera nature-flow evaluation. Project page: https://minar09.github.io/steadyforcing/

QuitoBench: A High-Quality Open Time Series Forecasting Benchmark

Time series forecasting is critical across finance, healthcare, and cloud computing, yet progress is constrained by a fundamental bottleneck: the scarcity of large-scale, high-quality benchmarks. To address this gap, we introduce QuitoBench, a regime-balanced benchmark for time series forecasting with coverage across eight trendtimesseasonalitytimesforecastability (TSF) regimes, designed to capture forecasting-relevant properties rather than application-defined domain labels. The benchmark is built upon Quito, a billion-scale time series corpus of application traffic from Alipay spanning nine business domains. Benchmarking 10 models from deep learning, foundation models, and statistical baselines across 232,200 evaluation instances, we report four key findings: (i) a context-length crossover where deep learning models lead at short context (L=96) but foundation models dominate at long context (L ge 576); (ii) forecastability is the dominant difficulty driver, producing a 3.64 times MAE gap across regimes; (iii) deep learning models match or surpass foundation models at 59 times fewer parameters; and (iv) scaling the amount of training data provides substantially greater benefit than scaling model size for both model families. These findings are validated by strong cross-benchmark and cross-metric consistency. Our open-source release enables reproducible, regime-aware evaluation for time series forecasting research.

  • 10 authors
·
Mar 26 3

FiVE: A Fine-grained Video Editing Benchmark for Evaluating Emerging Diffusion and Rectified Flow Models

Numerous text-to-video (T2V) editing methods have emerged recently, but the lack of a standardized benchmark for fair evaluation has led to inconsistent claims and an inability to assess model sensitivity to hyperparameters. Fine-grained video editing is crucial for enabling precise, object-level modifications while maintaining context and temporal consistency. To address this, we introduce FiVE, a Fine-grained Video Editing Benchmark for evaluating emerging diffusion and rectified flow models. Our benchmark includes 74 real-world videos and 26 generated videos, featuring 6 fine-grained editing types, 420 object-level editing prompt pairs, and their corresponding masks. Additionally, we adapt the latest rectified flow (RF) T2V generation models, Pyramid-Flow and Wan2.1, by introducing FlowEdit, resulting in training-free and inversion-free video editing models Pyramid-Edit and Wan-Edit. We evaluate five diffusion-based and two RF-based editing methods on our FiVE benchmark using 15 metrics, covering background preservation, text-video similarity, temporal consistency, video quality, and runtime. To further enhance object-level evaluation, we introduce FiVE-Acc, a novel metric leveraging Vision-Language Models (VLMs) to assess the success of fine-grained video editing. Experimental results demonstrate that RF-based editing significantly outperforms diffusion-based methods, with Wan-Edit achieving the best overall performance and exhibiting the least sensitivity to hyperparameters. More video demo available on the anonymous website: https://sites.google.com/view/five-benchmark

  • 5 authors
·
Mar 17, 2025

Coherent Structures Governing Transport at Turbulent Interfaces

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

  • 5 authors
·
Dec 17, 2024

Spectral-Refiner: Fine-Tuning of Accurate Spatiotemporal Neural Operator for Turbulent Flows

Recent advancements in operator-type neural networks have shown promising results in approximating the solutions of spatiotemporal Partial Differential Equations (PDEs). However, these neural networks often entail considerable training expenses, and may not always achieve the desired accuracy required in many scientific and engineering disciplines. In this paper, we propose a new Spatiotemporal Fourier Neural Operator (SFNO) that learns maps between Bochner spaces, and a new learning framework to address these issues. This new paradigm leverages wisdom from traditional numerical PDE theory and techniques to refine the pipeline of commonly adopted end-to-end neural operator training and evaluations. Specifically, in the learning problems for the turbulent flow modeling by the Navier-Stokes Equations (NSE), the proposed architecture initiates the training with a few epochs for SFNO, concluding with the freezing of most model parameters. Then, the last linear spectral convolution layer is fine-tuned without the frequency truncation. The optimization uses a negative Sobolev norm for the first time as the loss in operator learning, defined through a reliable functional-type a posteriori error estimator whose evaluation is almost exact thanks to the Parseval identity. This design allows the neural operators to effectively tackle low-frequency errors while the relief of the de-aliasing filter addresses high-frequency errors. Numerical experiments on commonly used benchmarks for the 2D NSE demonstrate significant improvements in both computational efficiency and accuracy, compared to end-to-end evaluation and traditional numerical PDE solvers.

  • 4 authors
·
May 27, 2024

AutoDiffusion: Training-Free Optimization of Time Steps and Architectures for Automated Diffusion Model Acceleration

Diffusion models are emerging expressive generative models, in which a large number of time steps (inference steps) are required for a single image generation. To accelerate such tedious process, reducing steps uniformly is considered as an undisputed principle of diffusion models. We consider that such a uniform assumption is not the optimal solution in practice; i.e., we can find different optimal time steps for different models. Therefore, we propose to search the optimal time steps sequence and compressed model architecture in a unified framework to achieve effective image generation for diffusion models without any further training. Specifically, we first design a unified search space that consists of all possible time steps and various architectures. Then, a two stage evolutionary algorithm is introduced to find the optimal solution in the designed search space. To further accelerate the search process, we employ FID score between generated and real samples to estimate the performance of the sampled examples. As a result, the proposed method is (i).training-free, obtaining the optimal time steps and model architecture without any training process; (ii). orthogonal to most advanced diffusion samplers and can be integrated to gain better sample quality. (iii). generalized, where the searched time steps and architectures can be directly applied on different diffusion models with the same guidance scale. Experimental results show that our method achieves excellent performance by using only a few time steps, e.g. 17.86 FID score on ImageNet 64 times 64 with only four steps, compared to 138.66 with DDIM. The code is available at https://github.com/lilijiangg/AutoDiffusion.

  • 10 authors
·
Sep 19, 2023

RealPDEBench: A Benchmark for Complex Physical Systems with Real-World Data

Predicting the evolution of complex physical systems remains a central problem in science and engineering. Despite rapid progress in scientific Machine Learning (ML) models, a critical bottleneck is the lack of expensive real-world data, resulting in most current models being trained and validated on simulated data. Beyond limiting the development and evaluation of scientific ML, this gap also hinders research into essential tasks such as sim-to-real transfer. We introduce RealPDEBench, the first benchmark for scientific ML that integrates real-world measurements with paired numerical simulations. RealPDEBench consists of five datasets, three tasks, eight metrics, and ten baselines. We first present five real-world measured datasets with paired simulated datasets across different complex physical systems. We further define three tasks, which allow comparisons between real-world and simulated data, and facilitate the development of methods to bridge the two. Moreover, we design eight evaluation metrics, spanning data-oriented and physics-oriented metrics, and finally benchmark ten representative baselines, including state-of-the-art models, pretrained PDE foundation models, and a traditional method. Experiments reveal significant discrepancies between simulated and real-world data, while showing that pretraining with simulated data consistently improves both accuracy and convergence. In this work, we hope to provide insights from real-world data, advancing scientific ML toward bridging the sim-to-real gap and real-world deployment. Our benchmark, datasets, and instructions are available at https://realpdebench.github.io/.

  • 16 authors
·
Jan 5

Fair Benchmarking of Emerging One-Step Generative Models Against Multistep Diffusion and Flow Models

State-of-the-art text-to-image models produce high-quality images, but inference remains expensive as generation requires several sequential ODE or denoising steps. Native one-step models aim to reduce this cost by mapping noise to an image in a single step, yet fair comparisons to multi-step systems are difficult because studies use mismatched sampling steps and different classifier-free guidance (CFG) settings, where CFG can shift FID, Inception Score, and CLIP-based alignment in opposing directions. It is also unclear how well one-step models scale to multi-step inference, and there is limited standardized out-of-distribution evaluation for label-ID-conditioned generators beyond ImageNet. To address this, We benchmark eight models spanning one-step flows (MeanFlow, Improved MeanFlow, SoFlow), multi-step baselines (RAE, Scale-RAE), and established systems (SiT, Stable Diffusion 3.5, FLUX.1) under a controlled class-conditional protocol on ImageNet validation, ImageNetV2, and reLAIONet, our new proofread out-of-distribution dataset aligned to ImageNet label IDs. Using FID, Inception Score, CLIP Score, and Pick Score, we show that FID-focused model development and CFG selection can be misleading in few-step regimes, where guidance changes can improve FID while degrading text-image alignment and human preference signals and worsening perceived quality. We further show that leading one-step models benefit from step scaling and become substantially more competitive under multi-step inference, although they still exhibit characteristic local distortions. To capture these tradeoffs, we introduce MinMax Harmonic Mean (MMHM), a composite proxy over all four metrics that stabilizes hyperparameter selection across guidance and step sweeps.

  • 14 authors
·
Mar 14

NeuroDDAF: Neural Dynamic Diffusion-Advection Fields with Evidential Fusion for Air Quality Forecasting

Accurate air quality forecasting is crucial for protecting public health and guiding environmental policy, yet it remains challenging due to nonlinear spatiotemporal dynamics, wind-driven transport, and distribution shifts across regions. Physics-based models are interpretable but computationally expensive and often rely on restrictive assumptions, whereas purely data-driven models can be accurate but may lack robustness and calibrated uncertainty. To address these limitations, we propose Neural Dynamic Diffusion-Advection Fields (NeuroDDAF), a physics-informed forecasting framework that unifies neural representation learning with open-system transport modeling. NeuroDDAF integrates (i) a GRU-Graph Attention encoder to capture temporal dynamics and wind-aware spatial interactions, (ii) a Fourier-domain diffusion-advection module with learnable residuals, (iii) a wind-modulated latent Neural ODE to model continuous-time evolution under time-varying connectivity, and (iv) an evidential fusion mechanism that adaptively combines physics-guided and neural forecasts while quantifying uncertainty. Experiments on four urban datasets (Beijing, Shenzhen, Tianjin, and Ancona) across 1-3 day horizons show that NeuroDDAF consistently outperforms strong baselines, including AirPhyNet, achieving up to 9.7% reduction in RMSE and 9.4% reduction in MAE on long-term forecasts. On the Beijing dataset, NeuroDDAF attains an RMSE of 41.63 μg/m^3 for 1-day prediction and 48.88 μg/m^3 for 3-day prediction, representing the best performance among all compared methods. In addition, NeuroDDAF improves cross-city generalization and yields well-calibrated uncertainty estimates, as confirmed by ensemble variance analysis and case studies under varying wind conditions.

  • 4 authors
·
Mar 31

Synthetic Lagrangian Turbulence by Generative Diffusion Models

Lagrangian turbulence lies at the core of numerous applied and fundamental problems related to the physics of dispersion and mixing in engineering, bio-fluids, atmosphere, oceans, and astrophysics. Despite exceptional theoretical, numerical, and experimental efforts conducted over the past thirty years, no existing models are capable of faithfully reproducing statistical and topological properties exhibited by particle trajectories in turbulence. We propose a machine learning approach, based on a state-of-the-art diffusion model, to generate single-particle trajectories in three-dimensional turbulence at high Reynolds numbers, thereby bypassing the need for direct numerical simulations or experiments to obtain reliable Lagrangian data. Our model demonstrates the ability to reproduce most statistical benchmarks across time scales, including the fat-tail distribution for velocity increments, the anomalous power law, and the increased intermittency around the dissipative scale. Slight deviations are observed below the dissipative scale, particularly in the acceleration and flatness statistics. Surprisingly, the model exhibits strong generalizability for extreme events, producing events of higher intensity and rarity that still match the realistic statistics. This paves the way for producing synthetic high-quality datasets for pre-training various downstream applications of Lagrangian turbulence.

  • 5 authors
·
Apr 27, 2024

Text-to-Image Diffusion Models Cannot Count, and Prompt Refinement Cannot Help

Generative modeling is widely regarded as one of the most essential problems in today's AI community, with text-to-image generation having gained unprecedented real-world impacts. Among various approaches, diffusion models have achieved remarkable success and have become the de facto solution for text-to-image generation. However, despite their impressive performance, these models exhibit fundamental limitations in adhering to numerical constraints in user instructions, frequently generating images with an incorrect number of objects. While several prior works have mentioned this issue, a comprehensive and rigorous evaluation of this limitation remains lacking. To address this gap, we introduce T2ICountBench, a novel benchmark designed to rigorously evaluate the counting ability of state-of-the-art text-to-image diffusion models. Our benchmark encompasses a diverse set of generative models, including both open-source and private systems. It explicitly isolates counting performance from other capabilities, provides structured difficulty levels, and incorporates human evaluations to ensure high reliability. Extensive evaluations with T2ICountBench reveal that all state-of-the-art diffusion models fail to generate the correct number of objects, with accuracy dropping significantly as the number of objects increases. Additionally, an exploratory study on prompt refinement demonstrates that such simple interventions generally do not improve counting accuracy. Our findings highlight the inherent challenges in numerical understanding within diffusion models and point to promising directions for future improvements.

  • 8 authors
·
Mar 9, 2025

PDE-Refiner: Achieving Accurate Long Rollouts with Neural PDE Solvers

Time-dependent partial differential equations (PDEs) are ubiquitous in science and engineering. Recently, mostly due to the high computational cost of traditional solution techniques, deep neural network based surrogates have gained increased interest. The practical utility of such neural PDE solvers relies on their ability to provide accurate, stable predictions over long time horizons, which is a notoriously hard problem. In this work, we present a large-scale analysis of common temporal rollout strategies, identifying the neglect of non-dominant spatial frequency information, often associated with high frequencies in PDE solutions, as the primary pitfall limiting stable, accurate rollout performance. Based on these insights, we draw inspiration from recent advances in diffusion models to introduce PDE-Refiner; a novel model class that enables more accurate modeling of all frequency components via a multistep refinement process. We validate PDE-Refiner on challenging benchmarks of complex fluid dynamics, demonstrating stable and accurate rollouts that consistently outperform state-of-the-art models, including neural, numerical, and hybrid neural-numerical architectures. We further demonstrate that PDE-Refiner greatly enhances data efficiency, since the denoising objective implicitly induces a novel form of spectral data augmentation. Finally, PDE-Refiner's connection to diffusion models enables an accurate and efficient assessment of the model's predictive uncertainty, allowing us to estimate when the surrogate becomes inaccurate.

  • 5 authors
·
Aug 10, 2023

DiffFit: Unlocking Transferability of Large Diffusion Models via Simple Parameter-Efficient Fine-Tuning

Diffusion models have proven to be highly effective in generating high-quality images. However, adapting large pre-trained diffusion models to new domains remains an open challenge, which is critical for real-world applications. This paper proposes DiffFit, a parameter-efficient strategy to fine-tune large pre-trained diffusion models that enable fast adaptation to new domains. DiffFit is embarrassingly simple that only fine-tunes the bias term and newly-added scaling factors in specific layers, yet resulting in significant training speed-up and reduced model storage costs. Compared with full fine-tuning, DiffFit achieves 2times training speed-up and only needs to store approximately 0.12\% of the total model parameters. Intuitive theoretical analysis has been provided to justify the efficacy of scaling factors on fast adaptation. On 8 downstream datasets, DiffFit achieves superior or competitive performances compared to the full fine-tuning while being more efficient. Remarkably, we show that DiffFit can adapt a pre-trained low-resolution generative model to a high-resolution one by adding minimal cost. Among diffusion-based methods, DiffFit sets a new state-of-the-art FID of 3.02 on ImageNet 512times512 benchmark by fine-tuning only 25 epochs from a public pre-trained ImageNet 256times256 checkpoint while being 30times more training efficient than the closest competitor.

  • 8 authors
·
Apr 13, 2023

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.

The impact of internal variability on benchmarking deep learning climate emulators

Full-complexity Earth system models (ESMs) are computationally very expensive, limiting their use in exploring the climate outcomes of multiple emission pathways. More efficient emulators that approximate ESMs can directly map emissions onto climate outcomes, and benchmarks are being used to evaluate their accuracy on standardized tasks and datasets. We investigate a popular benchmark in data-driven climate emulation, ClimateBench, on which deep learning-based emulators are currently achieving the best performance. We implement a linear regression-based emulator, akin to pattern scaling, and find that it outperforms the incumbent 100M-parameter deep learning foundation model, ClimaX, on 3 out of 4 regionally-resolved surface-level climate variables. While emulating surface temperature is expected to be predominantly linear, this result is surprising for emulating precipitation. We identify that this outcome is a result of high levels of internal variability in the benchmark targets. To address internal variability, we update the benchmark targets with ensemble averages from the MPI-ESM1.2-LR model that contain 50 instead of 3 climate simulations per emission pathway. Using the new targets, we show that linear pattern scaling continues to be more accurate on temperature, but can be outperformed by a deep learning-based model for emulating precipitation. We publish our code, data, and an interactive tutorial at github.com/blutjens/climate-emulator.

  • 4 authors
·
Aug 9, 2024

DIRE for Diffusion-Generated Image Detection

Diffusion models have shown remarkable success in visual synthesis, but have also raised concerns about potential abuse for malicious purposes. In this paper, we seek to build a detector for telling apart real images from diffusion-generated images. We find that existing detectors struggle to detect images generated by diffusion models, even if we include generated images from a specific diffusion model in their training data. To address this issue, we propose a novel image representation called DIffusion Reconstruction Error (DIRE), which measures the error between an input image and its reconstruction counterpart by a pre-trained diffusion model. We observe that diffusion-generated images can be approximately reconstructed by a diffusion model while real images cannot. It provides a hint that DIRE can serve as a bridge to distinguish generated and real images. DIRE provides an effective way to detect images generated by most diffusion models, and it is general for detecting generated images from unseen diffusion models and robust to various perturbations. Furthermore, we establish a comprehensive diffusion-generated benchmark including images generated by eight diffusion models to evaluate the performance of diffusion-generated image detectors. Extensive experiments on our collected benchmark demonstrate that DIRE exhibits superiority over previous generated-image detectors. The code and dataset are available at https://github.com/ZhendongWang6/DIRE.

  • 7 authors
·
Mar 16, 2023

RotationDrag: Point-based Image Editing with Rotated Diffusion Features

A precise and user-friendly manipulation of image content while preserving image fidelity has always been crucial to the field of image editing. Thanks to the power of generative models, recent point-based image editing methods allow users to interactively change the image content with high generalizability by clicking several control points. But the above mentioned editing process is usually based on the assumption that features stay constant in the motion supervision step from initial to target points. In this work, we conduct a comprehensive investigation in the feature space of diffusion models, and find that features change acutely under in-plane rotation. Based on this, we propose a novel approach named RotationDrag, which significantly improves point-based image editing performance when users intend to in-plane rotate the image content. Our method tracks handle points more precisely by utilizing the feature map of the rotated images, thus ensuring precise optimization and high image fidelity. Furthermore, we build a in-plane rotation focused benchmark called RotateBench, the first benchmark to evaluate the performance of point-based image editing method under in-plane rotation scenario on both real images and generated images. A thorough user study demonstrates the superior capability in accomplishing in-plane rotation that users intend to achieve, comparing the DragDiffusion baseline and other existing diffusion-based methods. See the project page https://github.com/Tony-Lowe/RotationDrag for code and experiment results.

  • 3 authors
·
Jan 12, 2024

VISION: Prompting Ocean Vertical Velocity Reconstruction from Incomplete Observations

Reconstructing subsurface ocean dynamics, such as vertical velocity fields, from incomplete surface observations poses a critical challenge in Earth science, a field long hampered by the lack of standardized, analysis-ready benchmarks. To systematically address this issue and catalyze research, we first build and release KD48, a high-resolution ocean dynamics benchmark derived from petascale simulations and curated with expert-driven denoising. Building on this benchmark, we introduce VISION, a novel reconstruction paradigm based on Dynamic Prompting designed to tackle the core problem of missing data in real-world observations. The essence of VISION lies in its ability to generate a visual prompt on-the-fly from any available subset of observations, which encodes both data availability and the ocean's physical state. More importantly, we design a State-conditioned Prompting module that efficiently injects this prompt into a universal backbone, endowed with geometry- and scale-aware operators, to guide its adaptive adjustment of computational strategies. This mechanism enables VISION to precisely handle the challenges posed by varying input combinations. Extensive experiments on the KD48 benchmark demonstrate that VISION not only substantially outperforms state-of-the-art models but also exhibits strong generalization under extreme data missing scenarios. By providing a high-quality benchmark and a robust model, our work establishes a solid infrastructure for ocean science research under data uncertainty. Our codes are available at: https://github.com/YuanGao-YG/VISION.

  • 6 authors
·
Sep 25, 2025

Multiphysics Bench: Benchmarking and Investigating Scientific Machine Learning for Multiphysics PDEs

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

  • 5 authors
·
May 23, 2025

AtmosSci-Bench: Evaluating the Recent Advance of Large Language Model for Atmospheric Science

The rapid advancements in large language models (LLMs), particularly in their reasoning capabilities, hold transformative potential for addressing complex challenges and boosting scientific discovery in atmospheric science. However, leveraging LLMs effectively in this domain requires a robust and comprehensive evaluation benchmark. Toward this end, we present AtmosSci-Bench, a novel benchmark designed to systematically assess LLM performance across five core categories of atmospheric science problems: hydrology, atmospheric dynamics, atmospheric physics, geophysics, and physical oceanography. AtmosSci-Bench features a dual-format design comprising both multiple-choice questions (MCQs) and open-ended questions (OEQs), enabling scalable automated evaluation alongside deeper analysis of conceptual understanding. We employ a template-based MCQ generation framework to create diverse, graduate-level problems with symbolic perturbation, while OEQs are used to probe open-ended reasoning. We conduct a comprehensive evaluation of representative LLMs, categorized into four groups: instruction-tuned models, advanced reasoning models, math-augmented models, and domain-specific climate models. Our analysis provides some interesting insights into the reasoning and problem-solving capabilities of LLMs in atmospheric science. We believe AtmosSci-Bench can serve as a critical step toward advancing LLM applications in climate services by offering a standard and rigorous evaluation framework. Our source code is available at https://github.com/Relaxed-System-Lab/AtmosSci-Bench.

  • 4 authors
·
Feb 3, 2025 1

DeeDiff: Dynamic Uncertainty-Aware Early Exiting for Accelerating Diffusion Model Generation

Diffusion models achieve great success in generating diverse and high-fidelity images. The performance improvements come with low generation speed per image, which hinders the application diffusion models in real-time scenarios. While some certain predictions benefit from the full computation of the model in each sample iteration, not every iteration requires the same amount of computation, potentially leading to computation waste. In this work, we propose DeeDiff, an early exiting framework that adaptively allocates computation resources in each sampling step to improve the generation efficiency of diffusion models. Specifically, we introduce a timestep-aware uncertainty estimation module (UEM) for diffusion models which is attached to each intermediate layer to estimate the prediction uncertainty of each layer. The uncertainty is regarded as the signal to decide if the inference terminates. Moreover, we propose uncertainty-aware layer-wise loss to fill the performance gap between full models and early-exited models. With such loss strategy, our model is able to obtain comparable results as full-layer models. Extensive experiments of class-conditional, unconditional, and text-guided generation on several datasets show that our method achieves state-of-the-art performance and efficiency trade-off compared with existing early exiting methods on diffusion models. More importantly, our method even brings extra benefits to baseline models and obtains better performance on CIFAR-10 and Celeb-A datasets. Full code and model are released for reproduction.

  • 6 authors
·
Sep 29, 2023

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

VICON: Vision In-Context Operator Networks for Multi-Physics Fluid Dynamics Prediction

In-Context Operator Networks (ICONs) have demonstrated the ability to learn operators across diverse partial differential equations using few-shot, in-context learning. However, existing ICONs process each spatial point as an individual token, severely limiting computational efficiency when handling dense data in higher spatial dimensions. We propose Vision In-Context Operator Networks (VICON), which integrates vision transformer architectures to efficiently process 2D data through patch-wise operations while preserving ICON's adaptability to multiphysics systems and varying timesteps. Evaluated across three fluid dynamics benchmarks, VICON significantly outperforms state-of-the-art baselines: DPOT and MPP, reducing the averaged last-step rollout error by 37.9% compared to DPOT and 44.7% compared to MPP, while requiring only 72.5% and 34.8% of their respective inference times. VICON naturally supports flexible rollout strategies with varying timestep strides, enabling immediate deployment in imperfect measurement systems where sampling frequencies may differ or frames might be dropped - common challenges in real-world settings - without requiring retraining or interpolation. In these realistic scenarios, VICON exhibits remarkable robustness, experiencing only 24.41% relative performance degradation compared to 71.37%-74.49% degradation in baseline methods, demonstrating its versatility for deploying in realistic applications. Our scripts for processing datasets and code are publicly available at https://github.com/Eydcao/VICON.

  • 6 authors
·
Nov 24, 2024

Fast Sampling of Diffusion Models with Exponential Integrator

The past few years have witnessed the great success of Diffusion models~(DMs) in generating high-fidelity samples in generative modeling tasks. A major limitation of the DM is its notoriously slow sampling procedure which normally requires hundreds to thousands of time discretization steps of the learned diffusion process to reach the desired accuracy. Our goal is to develop a fast sampling method for DMs with a much less number of steps while retaining high sample quality. To this end, we systematically analyze the sampling procedure in DMs and identify key factors that affect the sample quality, among which the method of discretization is most crucial. By carefully examining the learned diffusion process, we propose Diffusion Exponential Integrator Sampler~(DEIS). It is based on the Exponential Integrator designed for discretizing ordinary differential equations (ODEs) and leverages a semilinear structure of the learned diffusion process to reduce the discretization error. The proposed method can be applied to any DMs and can generate high-fidelity samples in as few as 10 steps. In our experiments, it takes about 3 minutes on one A6000 GPU to generate 50k images from CIFAR10. Moreover, by directly using pre-trained DMs, we achieve the state-of-art sampling performance when the number of score function evaluation~(NFE) is limited, e.g., 4.17 FID with 10 NFEs, 3.37 FID, and 9.74 IS with only 15 NFEs on CIFAR10. Code is available at https://github.com/qsh-zh/deis

  • 2 authors
·
Apr 29, 2022

Fluid Language Model Benchmarking

Language model (LM) benchmarking faces several challenges: comprehensive evaluations are costly, benchmarks often fail to measure the intended capabilities, and evaluation quality can degrade due to labeling errors and benchmark saturation. Although various strategies have been proposed to mitigate these issues, they tend to address individual aspects in isolation, neglecting broader questions about overall evaluation quality. Here, we introduce Fluid Benchmarking, a new evaluation approach that advances LM benchmarking across multiple dimensions. Inspired by psychometrics, Fluid Benchmarking is based on the insight that the relative value of benchmark items depends on an LM's capability level, suggesting that evaluation should adapt to each LM. Methodologically, Fluid Benchmarking estimates an item response model based on existing LM evaluation results and uses the inferred quantities to select evaluation items dynamically, similar to computerized adaptive testing in education. In our experiments, we compare Fluid Benchmarking against the common practice of random item sampling as well as more sophisticated baselines, including alternative methods grounded in item response theory. We examine four dimensions -- efficiency, validity, variance, and saturation -- and find that Fluid Benchmarking achieves superior performance in all of them (e.g., higher validity and less variance on MMLU with fifty times fewer items). Our analysis shows that the two components of Fluid Benchmarking have distinct effects: item response theory, used to map performance into a latent ability space, increases validity, while dynamic item selection reduces variance. Overall, our results suggest that LM benchmarking can be substantially improved by moving beyond static evaluation.

  • 10 authors
·
Sep 14, 2025

Diffusion Sampling with Momentum for Mitigating Divergence Artifacts

Despite the remarkable success of diffusion models in image generation, slow sampling remains a persistent issue. To accelerate the sampling process, prior studies have reformulated diffusion sampling as an ODE/SDE and introduced higher-order numerical methods. However, these methods often produce divergence artifacts, especially with a low number of sampling steps, which limits the achievable acceleration. In this paper, we investigate the potential causes of these artifacts and suggest that the small stability regions of these methods could be the principal cause. To address this issue, we propose two novel techniques. The first technique involves the incorporation of Heavy Ball (HB) momentum, a well-known technique for improving optimization, into existing diffusion numerical methods to expand their stability regions. We also prove that the resulting methods have first-order convergence. The second technique, called Generalized Heavy Ball (GHVB), constructs a new high-order method that offers a variable trade-off between accuracy and artifact suppression. Experimental results show that our techniques are highly effective in reducing artifacts and improving image quality, surpassing state-of-the-art diffusion solvers on both pixel-based and latent-based diffusion models for low-step sampling. Our research provides novel insights into the design of numerical methods for future diffusion work.

  • 5 authors
·
Jul 20, 2023

Direct Inversion: Boosting Diffusion-based Editing with 3 Lines of Code

Text-guided diffusion models have revolutionized image generation and editing, offering exceptional realism and diversity. Specifically, in the context of diffusion-based editing, where a source image is edited according to a target prompt, the process commences by acquiring a noisy latent vector corresponding to the source image via the diffusion model. This vector is subsequently fed into separate source and target diffusion branches for editing. The accuracy of this inversion process significantly impacts the final editing outcome, influencing both essential content preservation of the source image and edit fidelity according to the target prompt. Prior inversion techniques aimed at finding a unified solution in both the source and target diffusion branches. However, our theoretical and empirical analyses reveal that disentangling these branches leads to a distinct separation of responsibilities for preserving essential content and ensuring edit fidelity. Building on this insight, we introduce "Direct Inversion," a novel technique achieving optimal performance of both branches with just three lines of code. To assess image editing performance, we present PIE-Bench, an editing benchmark with 700 images showcasing diverse scenes and editing types, accompanied by versatile annotations and comprehensive evaluation metrics. Compared to state-of-the-art optimization-based inversion techniques, our solution not only yields superior performance across 8 editing methods but also achieves nearly an order of speed-up.

  • 5 authors
·
Oct 2, 2023

ImDiffusion: Imputed Diffusion Models for Multivariate Time Series Anomaly Detection

Anomaly detection in multivariate time series data is of paramount importance for ensuring the efficient operation of large-scale systems across diverse domains. However, accurately detecting anomalies in such data poses significant challenges. Existing approaches, including forecasting and reconstruction-based methods, struggle to address these challenges effectively. To overcome these limitations, we propose a novel anomaly detection framework named ImDiffusion, which combines time series imputation and diffusion models to achieve accurate and robust anomaly detection. The imputation-based approach employed by ImDiffusion leverages the information from neighboring values in the time series, enabling precise modeling of temporal and inter-correlated dependencies, reducing uncertainty in the data, thereby enhancing the robustness of the anomaly detection process. ImDiffusion further leverages diffusion models as time series imputers to accurately capturing complex dependencies. We leverage the step-by-step denoised outputs generated during the inference process to serve as valuable signals for anomaly prediction, resulting in improved accuracy and robustness of the detection process. We evaluate the performance of ImDiffusion via extensive experiments on benchmark datasets. The results demonstrate that our proposed framework significantly outperforms state-of-the-art approaches in terms of detection accuracy and timeliness. ImDiffusion is further integrated into the real production system in Microsoft and observe a remarkable 11.4% increase in detection F1 score compared to the legacy approach. To the best of our knowledge, ImDiffusion represents a pioneering approach that combines imputation-based techniques with time series anomaly detection, while introducing the novel use of diffusion models to the field.

  • 10 authors
·
Jul 3, 2023

Benchmarking Neural Network Training Algorithms

Training algorithms, broadly construed, are an essential part of every deep learning pipeline. Training algorithm improvements that speed up training across a wide variety of workloads (e.g., better update rules, tuning protocols, learning rate schedules, or data selection schemes) could save time, save computational resources, and lead to better, more accurate, models. Unfortunately, as a community, we are currently unable to reliably identify training algorithm improvements, or even determine the state-of-the-art training algorithm. In this work, using concrete experiments, we argue that real progress in speeding up training requires new benchmarks that resolve three basic challenges faced by empirical comparisons of training algorithms: (1) how to decide when training is complete and precisely measure training time, (2) how to handle the sensitivity of measurements to exact workload details, and (3) how to fairly compare algorithms that require hyperparameter tuning. In order to address these challenges, we introduce a new, competitive, time-to-result benchmark using multiple workloads running on fixed hardware, the AlgoPerf: Training Algorithms benchmark. Our benchmark includes a set of workload variants that make it possible to detect benchmark submissions that are more robust to workload changes than current widely-used methods. Finally, we evaluate baseline submissions constructed using various optimizers that represent current practice, as well as other optimizers that have recently received attention in the literature. These baseline results collectively demonstrate the feasibility of our benchmark, show that non-trivial gaps between methods exist, and set a provisional state-of-the-art for future benchmark submissions to try and surpass.

  • 25 authors
·
Jun 12, 2023 1

Open-source Flux Transport (OFT). I. HipFT -- High-performance Flux Transport

Global solar photospheric magnetic maps play a critical role in solar and heliospheric physics research. Routine magnetograph measurements of the field occur only along the Sun-Earth line, leaving the far-side of the Sun unobserved. Surface Flux Transport (SFT) models attempt to mitigate this by modeling the surface evolution of the field. While such models have long been established in the community (with several releasing public full-Sun maps), none are open source. The Open Source Flux Transport (OFT) model seeks to fill this gap by providing an open and user-extensible SFT model that also builds on the knowledge of previous models with updated numerical and data acquisition/assimilation methods along with additional user-defined features. In this first of a series of papers on OFT, we introduce its computational core: the High-performance Flux Transport (HipFT) code (github.com/predsci/hipft). HipFT implements advection, diffusion, and data assimilation in a modular design that supports a variety of flow models and options. It can compute multiple realizations in a single run across model parameters to create ensembles of maps for uncertainty quantification and is high-performance through the use of multi-CPU and multi-GPU parallelism. HipFT is designed to enable users to easily write extensions, enhancing its flexibility and adaptability. We describe HipFT's model features, validations of its numerical methods, performance of its parallel and GPU-accelerated code implementation, analysis/post-processing options, and example use cases.

  • 8 authors
·
Jan 10, 2025

What are the best systems? New perspectives on NLP Benchmarking

In Machine Learning, a benchmark refers to an ensemble of datasets associated with one or multiple metrics together with a way to aggregate different systems performances. They are instrumental in (i) assessing the progress of new methods along different axes and (ii) selecting the best systems for practical use. This is particularly the case for NLP with the development of large pre-trained models (e.g. GPT, BERT) that are expected to generalize well on a variety of tasks. While the community mainly focused on developing new datasets and metrics, there has been little interest in the aggregation procedure, which is often reduced to a simple average over various performance measures. However, this procedure can be problematic when the metrics are on a different scale, which may lead to spurious conclusions. This paper proposes a new procedure to rank systems based on their performance across different tasks. Motivated by the social choice theory, the final system ordering is obtained through aggregating the rankings induced by each task and is theoretically grounded. We conduct extensive numerical experiments (on over 270k scores) to assess the soundness of our approach both on synthetic and real scores (e.g. GLUE, EXTREM, SEVAL, TAC, FLICKR). In particular, we show that our method yields different conclusions on state-of-the-art systems than the mean-aggregation procedure while being both more reliable and robust.

  • 4 authors
·
Feb 8, 2022

One-Step Generative Modeling via Wasserstein Gradient Flows

Diffusion models and flow-based methods have shown impressive generative capability, especially for images, but their sampling is expensive because it requires many iterative updates. We introduce W-Flow, a framework for training a generator that transforms samples from a simple reference distribution into samples from a target data distribution in a single step. This is achieved in two steps: we first define an evolution from the reference distribution to the target distribution through a Wasserstein gradient flow that minimizes an energy functional; second, we train a static neural generator to compress this evolution into one-step generation. We instantiate the energy functional with the Sinkhorn divergence, which yields an efficient optimal-transport-based update rule that captures global distributional discrepancy and improves coverage of the target distribution. We further prove that the finite-sample training dynamics converge to the continuous-time distributional dynamics under suitable assumptions. Empirically, W-Flow sets a new state of the art for one-step ImageNet 256times256 generation, achieving 1.29 FID, with improved mode coverage and domain transfer. Compared to multi-step diffusion models with similar FID scores, our method yields approximately 100times faster sampling. These results show that Wasserstein gradient flows provide a principled and effective foundation for fast and high-fidelity generative modeling.

  • 6 authors
·
May 25

OmniEarth-Bench: Towards Holistic Evaluation of Earth's Six Spheres and Cross-Spheres Interactions with Multimodal Observational Earth Data

Existing benchmarks for Earth science multimodal learning exhibit critical limitations in systematic coverage of geosystem components and cross-sphere interactions, often constrained to isolated subsystems (only in Human-activities sphere or atmosphere) with limited evaluation dimensions (less than 16 tasks). To address these gaps, we introduce OmniEarth-Bench, the first comprehensive multimodal benchmark spanning all six Earth science spheres (atmosphere, lithosphere, Oceansphere, cryosphere, biosphere and Human-activities sphere) and cross-spheres with one hundred expert-curated evaluation dimensions. Leveraging observational data from satellite sensors and in-situ measurements, OmniEarth-Bench integrates 29,779 annotations across four tiers: perception, general reasoning, scientific knowledge reasoning and chain-of-thought (CoT) reasoning. This involves the efforts of 2-5 experts per sphere to establish authoritative evaluation dimensions and curate relevant observational datasets, 40 crowd-sourcing annotators to assist experts for annotations, and finally, OmniEarth-Bench is validated via hybrid expert-crowd workflows to reduce label ambiguity. Experiments on 9 state-of-the-art MLLMs reveal that even the most advanced models struggle with our benchmarks, where none of them reach 35\% accuracy. Especially, in some cross-spheres tasks, the performance of leading models like GPT-4o drops to 0.0\%. OmniEarth-Bench sets a new standard for geosystem-aware AI, advancing both scientific discovery and practical applications in environmental monitoring and disaster prediction. The dataset, source code, and trained models were released.

  • 17 authors
·
May 29, 2025

StreamDiffusion: A Pipeline-level Solution for Real-time Interactive Generation

We introduce StreamDiffusion, a real-time diffusion pipeline designed for interactive image generation. Existing diffusion models are adept at creating images from text or image prompts, yet they often fall short in real-time interaction. This limitation becomes particularly evident in scenarios involving continuous input, such as Metaverse, live video streaming, and broadcasting, where high throughput is imperative. To address this, we present a novel approach that transforms the original sequential denoising into the batching denoising process. Stream Batch eliminates the conventional wait-and-interact approach and enables fluid and high throughput streams. To handle the frequency disparity between data input and model throughput, we design a novel input-output queue for parallelizing the streaming process. Moreover, the existing diffusion pipeline uses classifier-free guidance(CFG), which requires additional U-Net computation. To mitigate the redundant computations, we propose a novel residual classifier-free guidance (RCFG) algorithm that reduces the number of negative conditional denoising steps to only one or even zero. Besides, we introduce a stochastic similarity filter(SSF) to optimize power consumption. Our Stream Batch achieves around 1.5x speedup compared to the sequential denoising method at different denoising levels. The proposed RCFG leads to speeds up to 2.05x higher than the conventional CFG. Combining the proposed strategies and existing mature acceleration tools makes the image-to-image generation achieve up-to 91.07fps on one RTX4090, improving the throughputs of AutoPipline developed by Diffusers over 59.56x. Furthermore, our proposed StreamDiffusion also significantly reduces the energy consumption by 2.39x on one RTX3060 and 1.99x on one RTX4090, respectively.

  • 10 authors
·
Dec 19, 2023 5

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

TimeFlow: Towards Stochastic-Aware and Efficient Time Series Generation via Flow Matching Modeling

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.

  • 4 authors
·
Nov 18, 2025

California Crop Yield Benchmark: Combining Satellite Image, Climate, Evapotranspiration, and Soil Data Layers for County-Level Yield Forecasting of Over 70 Crops

California is a global leader in agricultural production, contributing 12.5% of the United States total output and ranking as the fifth-largest food and cotton supplier in the world. Despite the availability of extensive historical yield data from the USDA National Agricultural Statistics Service, accurate and timely crop yield forecasting remains a challenge due to the complex interplay of environmental, climatic, and soil-related factors. In this study, we introduce a comprehensive crop yield benchmark dataset covering over 70 crops across all California counties from 2008 to 2022. The benchmark integrates diverse data sources, including Landsat satellite imagery, daily climate records, monthly evapotranspiration, and high-resolution soil properties. To effectively learn from these heterogeneous inputs, we develop a multi-modal deep learning model tailored for county-level, crop-specific yield forecasting. The model employs stratified feature extraction and a timeseries encoder to capture spatial and temporal dynamics during the growing season. Static inputs such as soil characteristics and crop identity inform long-term variability. Our approach achieves an overall R2 score of 0.76 across all crops of unseen test dataset, highlighting strong predictive performance across California diverse agricultural regions. This benchmark and modeling framework offer a valuable foundation for advancing agricultural forecasting, climate adaptation, and precision farming. The full dataset and codebase are publicly available at our GitHub repository.

  • 3 authors
·
Jun 11, 2025

Diffusion-Driven Generation of Minimally Preprocessed Brain MRI

The purpose of this study is to present and compare three denoising diffusion probabilistic models (DDPMs) that generate 3D T_1-weighted MRI human brain images. Three DDPMs were trained using 80,675 image volumes from 42,406 subjects spanning 38 publicly available brain MRI datasets. These images had approximately 1 mm isotropic resolution and were manually inspected by three human experts to exclude those with poor quality, field-of-view issues, and excessive pathology. The images were minimally preprocessed to preserve the visual variability of the data. Furthermore, to enable the DDPMs to produce images with natural orientation variations and inhomogeneity, the images were neither registered to a common coordinate system nor bias field corrected. Evaluations included segmentation, Frechet Inception Distance (FID), and qualitative inspection. Regarding results, all three DDPMs generated coherent MR brain volumes. The velocity and flow prediction models achieved lower FIDs than the sample prediction model. However, all three models had higher FIDs compared to real images across multiple cohorts. In a permutation experiment, the generated brain regional volume distributions differed statistically from real data. However, the velocity and flow prediction models had fewer statistically different volume distributions in the thalamus and putamen. In conclusion this work presents and releases the first 3D non-latent diffusion model for brain data without skullstripping or registration. Despite the negative results in statistical testing, the presented DDPMs are capable of generating high-resolution 3D T_1-weighted brain images. All model weights and corresponding inference code are publicly available at https://github.com/piksl-research/medforj .

  • 4 authors
·
Oct 29, 2025