Daily Papers

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

Data-driven modeling of fluid dynamics has advanced rapidly with neural PDE solvers, yet a fair and strong benchmark remains fragmented due to the absence of unified PDE datasets and standardized evaluation protocols. Although architectural innovations are abundant, fair assessment is further impeded by the lack of clear disentanglement between spatial, temporal and loss modules. In this paper, we introduce FD-Bench, the first fair, modular, comprehensive and reproducible benchmark for data-driven fluid simulation. FD-Bench systematically evaluates 85 baseline models across 10 representative flow scenarios under a unified experimental setup. It provides four key contributions: (1) a modular design enabling fair comparisons across spatial, temporal, and loss function modules; (2) the first systematic framework for direct comparison with traditional numerical solvers; (3) fine-grained generalization analysis across resolutions, initial conditions, and temporal windows; and (4) a user-friendly, extensible codebase to support future research. Through rigorous empirical studies, FD-Bench establishes the most comprehensive leaderboard to date, resolving long-standing issues in reproducibility and comparability, and laying a foundation for robust evaluation of future data-driven fluid models. The code is open-sourced at https://anonymous.4open.science/r/FD-Bench-15BC.

AI video generation is undergoing a revolution, with quality and realism advancing rapidly. These advances have led to a passionate scientific debate: Do video models learn ``world models'' that discover laws of physics -- or, alternatively, are they merely sophisticated pixel predictors that achieve visual realism without understanding the physical principles of reality? We address this question by developing Physics-IQ, a comprehensive benchmark dataset that can only be solved by acquiring a deep understanding of various physical principles, like fluid dynamics, optics, solid mechanics, magnetism and thermodynamics. We find that across a range of current models (Sora, Runway, Pika, Lumiere, Stable Video Diffusion, and VideoPoet), physical understanding is severely limited, and unrelated to visual realism. At the same time, some test cases can already be successfully solved. This indicates that acquiring certain physical principles from observation alone may be possible, but significant challenges remain. While we expect rapid advances ahead, our work demonstrates that visual realism does not imply physical understanding. Our project page is at https://physics-iq.github.io; code at https://github.com/google-deepmind/physics-IQ-benchmark.

While significant progress has been made on Physics-Informed Neural Networks (PINNs), a comprehensive comparison of these methods across a wide range of Partial Differential Equations (PDEs) is still lacking. This study introduces PINNacle, a benchmarking tool designed to fill this gap. PINNacle provides a diverse dataset, comprising over 20 distinct PDEs from various domains, including heat conduction, fluid dynamics, biology, and electromagnetics. These PDEs encapsulate key challenges inherent to real-world problems, such as complex geometry, multi-scale phenomena, nonlinearity, and high dimensionality. PINNacle also offers a user-friendly toolbox, incorporating about 10 state-of-the-art PINN methods for systematic evaluation and comparison. We have conducted extensive experiments with these methods, offering insights into their strengths and weaknesses. In addition to providing a standardized means of assessing performance, PINNacle also offers an in-depth analysis to guide future research, particularly in areas such as domain decomposition methods and loss reweighting for handling multi-scale problems and complex geometry. To the best of our knowledge, it is the largest benchmark with a diverse and comprehensive evaluation that will undoubtedly foster further research in PINNs.

Machine learning-based surrogate models have emerged as a powerful tool to accelerate simulation-driven scientific workflows. However, their widespread adoption is hindered by the lack of large-scale, diverse, and standardized datasets tailored to physics-based simulations. While existing initiatives provide valuable contributions, many are limited in scope-focusing on specific physics domains, relying on fragmented tooling, or adhering to overly simplistic datamodels that restrict generalization. To address these limitations, we introduce PLAID (Physics-Learning AI Datamodel), a flexible and extensible framework for representing and sharing datasets of physics simulations. PLAID defines a unified standard for describing simulation data and is accompanied by a library for creating, reading, and manipulating complex datasets across a wide range of physical use cases (gitlab.com/drti/plaid). We release six carefully crafted datasets under the PLAID standard, covering structural mechanics and computational fluid dynamics, and provide baseline benchmarks using representative learning methods. Benchmarking tools are made available on Hugging Face, enabling direct participation by the community and contribution to ongoing evaluation efforts (huggingface.co/PLAIDcompetitions).

The development of Machine Learning (ML) methods for Computational Fluid Dynamics (CFD) is currently limited by the lack of openly available training data. This paper presents a new open-source dataset comprising of high fidelity, scale-resolving CFD simulations of 500 geometric variations of the Ahmed Car Body - a simplified car-like shape that exhibits many of the flow topologies that are present on bluff bodies such as road vehicles. The dataset contains simulation results that exhibit a broad set of fundamental flow physics such as geometry and pressure-induced flow separation as well as 3D vortical structures. Each variation of the Ahmed car body were run using a high-fidelity, time-accurate, hybrid Reynolds-Averaged Navier-Stokes (RANS) - Large-Eddy Simulation (LES) turbulence modelling approach using the open-source CFD code OpenFOAM. The dataset contains boundary, volume, geometry, and time-averaged forces/moments in widely used open-source formats. In addition, the OpenFOAM case setup is provided so that others can reproduce or extend the dataset. This represents to the authors knowledge, the first open-source large-scale dataset using high-fidelity CFD methods for the widely used Ahmed car body that is available to freely download with a permissive license (CC-BY-SA).

We present DrivAerNet++, the largest and most comprehensive multimodal dataset for aerodynamic car design. DrivAerNet++ comprises 8,000 diverse car designs modeled with high-fidelity computational fluid dynamics (CFD) simulations. The dataset includes diverse car configurations such as fastback, notchback, and estateback, with different underbody and wheel designs to represent both internal combustion engines and electric vehicles. Each entry in the dataset features detailed 3D meshes, parametric models, aerodynamic coefficients, and extensive flow and surface field data, along with segmented parts for car classification and point cloud data. This dataset supports a wide array of machine learning applications including data-driven design optimization, generative modeling, surrogate model training, CFD simulation acceleration, and geometric classification. With more than 39 TB of publicly available engineering data, DrivAerNet++ fills a significant gap in available resources, providing high-quality, diverse data to enhance model training, promote generalization, and accelerate automotive design processes. Along with rigorous dataset validation, we also provide ML benchmarking results on the task of aerodynamic drag prediction, showcasing the breadth of applications supported by our dataset. This dataset is set to significantly impact automotive design and broader engineering disciplines by fostering innovation and improving the fidelity of aerodynamic evaluations.

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.

This paper presents a new open-source high-fidelity dataset for Machine Learning (ML) containing 355 geometric variants of the Windsor body, to help the development and testing of ML surrogate models for external automotive aerodynamics. Each Computational Fluid Dynamics (CFD) simulation was run with a GPU-native high-fidelity Wall-Modeled Large-Eddy Simulations (WMLES) using a Cartesian immersed-boundary method using more than 280M cells to ensure the greatest possible accuracy. The dataset contains geometry variants that exhibits a wide range of flow characteristics that are representative of those observed on road-cars. The dataset itself contains the 3D time-averaged volume & boundary data as well as the geometry and force & moment coefficients. This paper discusses the validation of the underlying CFD methods as well as contents and structure of the dataset. To the authors knowledge, this represents the first, large-scale high-fidelity CFD dataset for the Windsor body with a permissive open-source license (CC-BY-SA).

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

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.

Machine Learning (ML) has the potential to revolutionise the field of automotive aerodynamics, enabling split-second flow predictions early in the design process. However, the lack of open-source training data for realistic road cars, using high-fidelity CFD methods, represents a barrier to their development. To address this, a high-fidelity open-source (CC-BY-SA) public dataset for automotive aerodynamics has been generated, based on 500 parametrically morphed variants of the widely-used DrivAer notchback generic vehicle. Mesh generation and scale-resolving CFD was executed using consistent and validated automatic workflows representative of the industrial state-of-the-art. Geometries and rich aerodynamic data are published in open-source formats. To our knowledge, this is the first large, public-domain dataset for complex automotive configurations generated using high-fidelity CFD.

Surrogate models are necessary to optimize meaningful quantities in physical dynamics as their recursive numerical resolutions are often prohibitively expensive. It is mainly the case for fluid dynamics and the resolution of Navier-Stokes equations. However, despite the fast-growing field of data-driven models for physical systems, reference datasets representing real-world phenomena are lacking. In this work, we develop AirfRANS, a dataset for studying the two-dimensional incompressible steady-state Reynolds-Averaged Navier-Stokes equations over airfoils at a subsonic regime and for different angles of attacks. We also introduce metrics on the stress forces at the surface of geometries and visualization of boundary layers to assess the capabilities of models to accurately predict the meaningful information of the problem. Finally, we propose deep learning baselines on four machine learning tasks to study AirfRANS under different constraints for generalization considerations: big and scarce data regime, Reynolds number, and angle of attack extrapolation.

Large Language Models (LLMs) have demonstrated strong performance across general NLP tasks, but their utility in automating numerical experiments of complex physical system -- a critical and labor-intensive component -- remains underexplored. As the major workhorse of computational science over the past decades, Computational Fluid Dynamics (CFD) offers a uniquely challenging testbed for evaluating the scientific capabilities of LLMs. We introduce CFDLLMBench, a benchmark suite comprising three complementary components -- CFDQuery, CFDCodeBench, and FoamBench -- designed to holistically evaluate LLM performance across three key competencies: graduate-level CFD knowledge, numerical and physical reasoning of CFD, and context-dependent implementation of CFD workflows. Grounded in real-world CFD practices, our benchmark combines a detailed task taxonomy with a rigorous evaluation framework to deliver reproducible results and quantify LLM performance across code executability, solution accuracy, and numerical convergence behavior. CFDLLMBench establishes a solid foundation for the development and evaluation of LLM-driven automation of numerical experiments for complex physical systems. Code and data are available at https://github.com/NREL-Theseus/cfdllmbench/.

Machine learning based surrogate models offer researchers powerful tools for accelerating simulation-based workflows. However, as standard datasets in this space often cover small classes of physical behavior, it can be difficult to evaluate the efficacy of new approaches. To address this gap, we introduce the Well: a large-scale collection of datasets containing numerical simulations of a wide variety of spatiotemporal physical systems. The Well draws from domain experts and numerical software developers to provide 15TB of data across 16 datasets covering diverse domains such as biological systems, fluid dynamics, acoustic scattering, as well as magneto-hydrodynamic simulations of extra-galactic fluids or supernova explosions. These datasets can be used individually or as part of a broader benchmark suite. To facilitate usage of the Well, we provide a unified PyTorch interface for training and evaluating models. We demonstrate the function of this library by introducing example baselines that highlight the new challenges posed by the complex dynamics of the Well. The code and data is available at https://github.com/PolymathicAI/the_well.

Advancement in finite element methods have become essential in various disciplines, and in particular for Computational Fluid Dynamics (CFD), driving research efforts for improved precision and efficiency. While Convolutional Neural Networks (CNNs) have found success in CFD by mapping meshes into images, recent attention has turned to leveraging Graph Neural Networks (GNNs) for direct mesh processing. This paper introduces a novel model merging Self-Attention with Message Passing in GNNs, achieving a 15\% reduction in RMSE on the well known flow past a cylinder benchmark. Furthermore, a dynamic mesh pruning technique based on Self-Attention is proposed, that leads to a robust GNN-based multigrid approach, also reducing RMSE by 15\%. Additionally, a new self-supervised training method based on BERT is presented, resulting in a 25\% RMSE reduction. The paper includes an ablation study and outperforms state-of-the-art models on several challenging datasets, promising advancements similar to those recently achieved in natural language and image processing. Finally, the paper introduces a dataset with meshes larger than existing ones by at least an order of magnitude. Code and Datasets will be released at https://github.com/DonsetPG/multigrid-gnn.

Realistic physics engines play a crucial role for learning to manipulate deformable objects such as garments in simulation. By doing so, researchers can circumvent challenges such as sensing the deformation of the object in the realworld. In spite of the extensive use of simulations for this task, few works have evaluated the reality gap between deformable object simulators and real-world data. We present a benchmark dataset to evaluate the sim-to-real gap in cloth manipulation. The dataset is collected by performing a dynamic as well as a quasi-static cloth manipulation task involving contact with a rigid table. We use the dataset to evaluate the reality gap, computational time, and simulation stability of four popular deformable object simulators: MuJoCo, Bullet, Flex, and SOFA. Additionally, we discuss the benefits and drawbacks of each simulator. The benchmark dataset is open-source. Supplementary material, videos, and code, can be found at https://sites.google.com/view/cloth-sim2real-benchmark.

Open-source benchmark datasets have been a critical component for advancing machine learning for robot perception in terrestrial applications. Benchmark datasets enable the widespread development of state-of-the-art machine learning methods, which require large datasets for training, validation, and thorough comparison to competing approaches. Underwater environments impose several operational challenges that hinder efforts to collect large benchmark datasets for marine robot perception. Furthermore, a low abundance of targets of interest relative to the size of the search space leads to increased time and cost required to collect useful datasets for a specific task. As a result, there is limited availability of labeled benchmark datasets for underwater applications. We present the AI4Shipwrecks dataset, which consists of 24 distinct shipwreck sites totaling 286 high-resolution labeled side scan sonar images to advance the state-of-the-art in autonomous sonar image understanding. We leverage the unique abundance of targets in Thunder Bay National Marine Sanctuary in Lake Huron, MI, to collect and compile a sonar imagery benchmark dataset through surveys with an autonomous underwater vehicle (AUV). We consulted with expert marine archaeologists for the labeling of robotically gathered data. We then leverage this dataset to perform benchmark experiments for comparison of state-of-the-art supervised segmentation methods, and we present insights on opportunities and open challenges for the field. The dataset and benchmarking tools will be released as an open-source benchmark dataset to spur innovation in machine learning for Great Lakes and ocean exploration. The dataset and accompanying software are available at https://umfieldrobotics.github.io/ai4shipwrecks/.

Benchmarking multi-object tracking and object detection model performance is an essential step in machine learning model development, as it allows researchers to evaluate model detection and tracker performance on human-generated 'test' data, facilitating consistent comparisons between models and trackers and aiding performance optimization. In this study, a novel benchmark video dataset was developed and used to assess the performance of several Monterey Bay Aquarium Research Institute object detection models and a FathomNet single-class object detection model together with several trackers. The dataset consists of four video sequences representing midwater and benthic deep-sea habitats. Performance was evaluated using Higher Order Tracking Accuracy, a metric that balances detection, localization, and association accuracy. To the best of our knowledge, this is the first publicly available benchmark for multi-object tracking in deep-sea video footage. We provide the benchmark data, a clearly documented workflow for generating additional benchmark videos, as well as example Python notebooks for computing metrics.

This paper introduces a novel surrogate modeling framework for aerodynamic applications based on Neural Fields. The proposed approach, MARIO (Modulated Aerodynamic Resolution Invariant Operator), addresses non parametric geometric variability through an efficient shape encoding mechanism and exploits the discretization-invariant nature of Neural Fields. It enables training on significantly downsampled meshes, while maintaining consistent accuracy during full-resolution inference. These properties allow for efficient modeling of diverse flow conditions, while reducing computational cost and memory requirements compared to traditional CFD solvers and existing surrogate methods. The framework is validated on two complementary datasets that reflect industrial constraints. First, the AirfRANS dataset consists in a two-dimensional airfoil benchmark with non-parametric shape variations. Performance evaluation of MARIO on this case demonstrates an order of magnitude improvement in prediction accuracy over existing methods across velocity, pressure, and turbulent viscosity fields, while accurately capturing boundary layer phenomena and aerodynamic coefficients. Second, the NASA Common Research Model features three-dimensional pressure distributions on a full aircraft surface mesh, with parametric control surface deflections. This configuration confirms MARIO's accuracy and scalability. Benchmarking against state-of-the-art methods demonstrates that Neural Field surrogates can provide rapid and accurate aerodynamic predictions under the computational and data limitations characteristic of industrial applications.

Dataset Condensation is a newly emerging technique aiming at learning a tiny dataset that captures the rich information encoded in the original dataset. As the size of datasets contemporary machine learning models rely on becomes increasingly large, condensation methods become a prominent direction for accelerating network training and reducing data storage. Despite numerous methods have been proposed in this rapidly growing field, evaluating and comparing different condensation methods is non-trivial and still remains an open issue. The quality of condensed dataset are often shadowed by many critical contributing factors to the end performance, such as data augmentation and model architectures. The lack of a systematic way to evaluate and compare condensation methods not only hinders our understanding of existing techniques, but also discourages practical usage of the synthesized datasets. This work provides the first large-scale standardized benchmark on Dataset Condensation. It consists of a suite of evaluations to comprehensively reflect the generability and effectiveness of condensation methods through the lens of their generated dataset. Leveraging this benchmark, we conduct a large-scale study of current condensation methods, and report many insightful findings that open up new possibilities for future development. The benchmark library, including evaluators, baseline methods, and generated datasets, is open-sourced to facilitate future research and application.

This paper introduces a high resolution, machine learning-ready heliophysics dataset derived from NASA's Solar Dynamics Observatory (SDO), specifically designed to advance machine learning (ML) applications in solar physics and space weather forecasting. The dataset includes processed imagery from the Atmospheric Imaging Assembly (AIA) and Helioseismic and Magnetic Imager (HMI), spanning a solar cycle from May 2010 to July 2024. To ensure suitability for ML tasks, the data has been preprocessed, including correction of spacecraft roll angles, orbital adjustments, exposure normalization, and degradation compensation. We also provide auxiliary application benchmark datasets complementing the core SDO dataset. These provide benchmark applications for central heliophysics and space weather tasks such as active region segmentation, active region emergence forecasting, coronal field extrapolation, solar flare prediction, solar EUV spectra prediction, and solar wind speed estimation. By establishing a unified, standardized data collection, this dataset aims to facilitate benchmarking, enhance reproducibility, and accelerate the development of AI-driven models for critical space weather prediction tasks, bridging gaps between solar physics, machine learning, and operational forecasting.

High-quality machine learning (ML)-ready datasets play a foundational role in developing new artificial intelligence (AI) models or fine-tuning existing models for scientific applications such as weather and climate analysis. Unfortunately, despite the growing development of new deep learning models for weather and climate, there is a scarcity of curated, pre-processed machine learning (ML)-ready datasets. Curating such high-quality datasets for developing new models is challenging particularly because the modality of the input data varies significantly for different downstream tasks addressing different atmospheric scales (spatial and temporal). Here we introduce WxC-Bench (Weather and Climate Bench), a multi-modal dataset designed to support the development of generalizable AI models for downstream use-cases in weather and climate research. WxC-Bench is designed as a dataset of datasets for developing ML-models for a complex weather and climate system, addressing selected downstream tasks as machine learning phenomenon. WxC-Bench encompasses several atmospheric processes from meso-beta (20 - 200 km) scale to synoptic scales (2500 km), such as aviation turbulence, hurricane intensity and track monitoring, weather analog search, gravity wave parameterization, and natural language report generation. We provide a comprehensive description of the dataset and also present a technical validation for baseline analysis. The dataset and code to prepare the ML-ready data have been made publicly available on Hugging Face -- https://huggingface.co/datasets/nasa-impact/WxC-Bench

Recent advances in large language models (LLMs) have significantly impacted data science workflows, giving rise to specialized data science agents designed to automate analytical tasks. Despite rapid adoption, systematic benchmarks evaluating the efficacy and limitations of these agents remain scarce. In this paper, we introduce a comprehensive benchmark specifically crafted to reflect real-world user interactions with data science agents by observing usage of our commercial applications. We evaluate three LLMs: Claude-4.0-Sonnet, Gemini-2.5-Flash, and OpenAI-o4-Mini across three approaches: zero-shot with context engineering, multi-step with context engineering, and with SmolAgent. Our benchmark assesses performance across a diverse set of eight data science task categories, additionally exploring the sensitivity of models to common prompting issues, such as data leakage and slightly ambiguous instructions. We further investigate the influence of temperature parameters on overall and task-specific outcomes for each model and approach. Our findings reveal distinct performance disparities among the evaluated models and methodologies, highlighting critical factors that affect practical deployment. The benchmark dataset and evaluation framework introduced herein aim to provide a foundation for future research of more robust and effective data science agents.

We present GeoGrid-Bench, a benchmark designed to evaluate the ability of foundation models to understand geo-spatial data in the grid structure. Geo-spatial datasets pose distinct challenges due to their dense numerical values, strong spatial and temporal dependencies, and unique multimodal representations including tabular data, heatmaps, and geographic visualizations. To assess how foundation models can support scientific research in this domain, GeoGrid-Bench features large-scale, real-world data covering 16 climate variables across 150 locations and extended time frames. The benchmark includes approximately 3,200 question-answer pairs, systematically generated from 8 domain expert-curated templates to reflect practical tasks encountered by human scientists. These range from basic queries at a single location and time to complex spatiotemporal comparisons across regions and periods. Our evaluation reveals that vision-language models perform best overall, and we provide a fine-grained analysis of the strengths and limitations of different foundation models in different geo-spatial tasks. This benchmark offers clearer insights into how foundation models can be effectively applied to geo-spatial data analysis and used to support scientific research.

Spacecraft deployed in outer space are routinely subjected to various forms of damage due to exposure to hazardous environments. In addition, there are significant risks to the subsequent process of in-space repairs through human extravehicular activity or robotic manipulation, incurring substantial operational costs. Recent developments in image segmentation could enable the development of reliable and cost-effective autonomous inspection systems. While these models often require large amounts of training data to achieve satisfactory results, publicly available annotated spacecraft segmentation data are very scarce. Here, we present a new dataset of nearly 64k annotated spacecraft images that was created using real spacecraft models, superimposed on a mixture of real and synthetic backgrounds generated using NASA's TTALOS pipeline. To mimic camera distortions and noise in real-world image acquisition, we also added different types of noise and distortion to the images. Finally, we finetuned YOLOv8 and YOLOv11 segmentation models to generate performance benchmarks for the dataset under well-defined hardware and inference time constraints to mimic real-world image segmentation challenges for real-time onboard applications in space on NASA's inspector spacecraft. The resulting models, when tested under these constraints, achieved a Dice score of 0.92, Hausdorff distance of 0.69, and an inference time of about 0.5 second. The dataset and models for performance benchmark are available at https://github.com/RiceD2KLab/SWiM.

Computational Fluid Dynamics (CFD) simulation by the numerical solution of the Navier-Stokes equations is an essential tool in a wide range of applications from engineering design to climate modeling. However, the computational cost and memory demand required by CFD codes may become very high for flows of practical interest, such as in aerodynamic shape optimization. This expense is associated with the complexity of the fluid flow governing equations, which include non-linear partial derivative terms that are of difficult solution, leading to long computational times and limiting the number of hypotheses that can be tested during the process of iterative design. Therefore, we propose DeepCFD: a convolutional neural network (CNN) based model that efficiently approximates solutions for the problem of non-uniform steady laminar flows. The proposed model is able to learn complete solutions of the Navier-Stokes equations, for both velocity and pressure fields, directly from ground-truth data generated using a state-of-the-art CFD code. Using DeepCFD, we found a speedup of up to 3 orders of magnitude compared to the standard CFD approach at a cost of low error rates.

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.

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

As large language models (LLMs) continue to advance, the need for up-to-date and well-organized benchmarks becomes increasingly critical. However, many existing datasets are scattered, difficult to manage, and make it challenging to perform evaluations tailored to specific needs or domains, despite the growing importance of domain-specific models in areas such as math or code. In this paper, we introduce BenchHub, a dynamic benchmark repository that empowers researchers and developers to evaluate LLMs more effectively. BenchHub aggregates and automatically classifies benchmark datasets from diverse domains, integrating 303K questions across 38 benchmarks. It is designed to support continuous updates and scalable data management, enabling flexible and customizable evaluation tailored to various domains or use cases. Through extensive experiments with various LLM families, we demonstrate that model performance varies significantly across domain-specific subsets, emphasizing the importance of domain-aware benchmarking. We believe BenchHub can encourage better dataset reuse, more transparent model comparisons, and easier identification of underrepresented areas in existing benchmarks, offering a critical infrastructure for advancing LLM evaluation research.

The body of research on classification of solar panel arrays from aerial imagery is increasing, yet there are still not many public benchmark datasets. This paper introduces two novel benchmark datasets for classifying and localizing solar panel arrays in Denmark: A human annotated dataset for classification and segmentation, as well as a classification dataset acquired using self-reported data from the Danish national building registry. We explore the performance of prior works on the new benchmark dataset, and present results after fine-tuning models using a similar approach as recent works. Furthermore, we train models of newer architectures and provide benchmark baselines to our datasets in several scenarios. We believe the release of these datasets may improve future research in both local and global geospatial domains for identifying and mapping of solar panel arrays from aerial imagery. The data is accessible at https://osf.io/aj539/.

This study introduces DrivAerNet, a large-scale high-fidelity CFD dataset of 3D industry-standard car shapes, and RegDGCNN, a dynamic graph convolutional neural network model, both aimed at aerodynamic car design through machine learning. DrivAerNet, with its 4000 detailed 3D car meshes using 0.5 million surface mesh faces and comprehensive aerodynamic performance data comprising of full 3D pressure, velocity fields, and wall-shear stresses, addresses the critical need for extensive datasets to train deep learning models in engineering applications. It is 60\% larger than the previously available largest public dataset of cars, and is the only open-source dataset that also models wheels and underbody. RegDGCNN leverages this large-scale dataset to provide high-precision drag estimates directly from 3D meshes, bypassing traditional limitations such as the need for 2D image rendering or Signed Distance Fields (SDF). By enabling fast drag estimation in seconds, RegDGCNN facilitates rapid aerodynamic assessments, offering a substantial leap towards integrating data-driven methods in automotive design. Together, DrivAerNet and RegDGCNN promise to accelerate the car design process and contribute to the development of more efficient vehicles. To lay the groundwork for future innovations in the field, the dataset and code used in our study are publicly accessible at https://github.com/Mohamedelrefaie/DrivAerNet

Generative AI models have made significant progress in automating the creation of 3D shapes, which has the potential to transform car design. In engineering design and optimization, evaluating engineering metrics is crucial. To make generative models performance-aware and enable them to create high-performing designs, surrogate modeling of these metrics is necessary. However, the currently used representations of three-dimensional (3D) shapes either require extensive computational resources to learn or suffer from significant information loss, which impairs their effectiveness in surrogate modeling. To address this issue, we propose a new two-dimensional (2D) representation of 3D shapes. We develop a surrogate drag model based on this representation to verify its effectiveness in predicting 3D car drag. We construct a diverse dataset of 9,070 high-quality 3D car meshes labeled by drag coefficients computed from computational fluid dynamics (CFD) simulations to train our model. Our experiments demonstrate that our model can accurately and efficiently evaluate drag coefficients with an R^2 value above 0.84 for various car categories. Moreover, the proposed representation method can be generalized to many other product categories beyond cars. Our model is implemented using deep neural networks, making it compatible with recent AI image generation tools (such as Stable Diffusion) and a significant step towards the automatic generation of drag-optimized car designs. We have made the dataset and code publicly available at https://decode.mit.edu/projects/dragprediction/.

Due to the high computational demands executing a rigorous comparison between hyperparameter optimization (HPO) methods is often cumbersome. The goal of this paper is to facilitate a better empirical evaluation of HPO methods by providing benchmarks that are cheap to evaluate, but still represent realistic use cases. We believe these benchmarks provide an easy and efficient way to conduct reproducible experiments for neural hyperparameter search. Our benchmarks consist of a large grid of configurations of a feed forward neural network on four different regression datasets including architectural hyperparameters and hyperparameters concerning the training pipeline. Based on this data, we performed an in-depth analysis to gain a better understanding of the properties of the optimization problem, as well as of the importance of different types of hyperparameters. Second, we exhaustively compared various different state-of-the-art methods from the hyperparameter optimization literature on these benchmarks in terms of performance and robustness.

Empirically validating new 3D-printing related algorithms and implementations requires testing data representative of inputs encountered in the wild. An ideal benchmarking dataset should not only draw from the same distribution of shapes people print in terms of class (e.g., toys, mechanisms, jewelry), representation type (e.g., triangle soup meshes) and complexity (e.g., number of facets), but should also capture problems and artifacts endemic to 3D printing models (e.g., self-intersections, non-manifoldness). We observe that the contextual and geometric characteristics of 3D printing models differ significantly from those used for computer graphics applications, not to mention standard models (e.g., Stanford bunny, Armadillo, Fertility). We present a new dataset of 10,000 models collected from an online 3D printing model-sharing database. Via analysis of both geometric (e.g., triangle aspect ratios, manifoldness) and contextual (e.g., licenses, tags, classes) characteristics, we demonstrate that this dataset represents a more concise summary of real-world models used for 3D printing compared to existing datasets. To facilitate future research endeavors, we also present an online query interface to select subsets of the dataset according to project-specific characteristics. The complete dataset and per-model statistical data are freely available to the public.

Engineering design optimization seeks to automatically determine the shapes, topologies, or parameters of components that maximize performance under given conditions. This process often depends on physics-based simulations, which are difficult to install, computationally expensive, and require domain-specific expertise. To mitigate these challenges, we introduce EngiBench, the first open-source library and datasets spanning diverse domains for data-driven engineering design. EngiBench provides a unified API and a curated set of benchmarks -- covering aeronautics, heat conduction, photonics, and more -- that enable fair, reproducible comparisons of optimization and machine learning algorithms, such as generative or surrogate models. We also release EngiOpt, a companion library offering a collection of such algorithms compatible with the EngiBench interface. Both libraries are modular, letting users plug in novel algorithms or problems, automate end-to-end experiment workflows, and leverage built-in utilities for visualization, dataset generation, feasibility checks, and performance analysis. We demonstrate their versatility through experiments comparing state-of-the-art techniques across multiple engineering design problems, an undertaking that was previously prohibitively time-consuming to perform. Finally, we show that these problems pose significant challenges for standard machine learning methods due to highly sensitive and constrained design manifolds.

Exploiting the recent advancements in artificial intelligence, showcased by ChatGPT and DALL-E, in real-world applications necessitates vast, domain-specific, and publicly accessible datasets. Unfortunately, the scarcity of such datasets poses a significant challenge for researchers aiming to apply these breakthroughs in engineering design. Synthetic datasets emerge as a viable alternative. However, practitioners are often uncertain about generating high-quality datasets that accurately represent real-world data and are suitable for the intended downstream applications. This study aims to fill this knowledge gap by proposing comprehensive guidelines for generating, annotating, and validating synthetic datasets. The trade-offs and methods associated with each of these aspects are elaborated upon. Further, the practical implications of these guidelines are illustrated through the creation of a turbo-compressors dataset. The study underscores the importance of thoughtful sampling methods to ensure the appropriate size, diversity, utility, and realism of a dataset. It also highlights that design diversity does not equate to performance diversity or realism. By employing test sets that represent uniform, real, or task-specific samples, the influence of sample size and sampling strategy is scrutinized. Overall, this paper offers valuable insights for researchers intending to create and publish synthetic datasets for engineering design, thereby paving the way for more effective applications of AI advancements in the field. The code and data for the dataset and methods are made publicly accessible at https://github.com/cyrilpic/radcomp .

Benchmark quality is critical for meaningful evaluation and sustained progress in time series forecasting, particularly given the recent rise of pretrained models. Existing benchmarks often have narrow domain coverage or overlook important real-world settings, such as tasks with covariates. Additionally, their aggregation procedures often lack statistical rigor, making it unclear whether observed performance differences reflect true improvements or random variation. Many benchmarks also fail to provide infrastructure for consistent evaluation or are too rigid to integrate into existing pipelines. To address these gaps, we propose fev-bench, a benchmark comprising 100 forecasting tasks across seven domains, including 46 tasks with covariates. Supporting the benchmark, we introduce fev, a lightweight Python library for benchmarking forecasting models that emphasizes reproducibility and seamless integration with existing workflows. Usingfev, fev-bench employs principled aggregation methods with bootstrapped confidence intervals to report model performance along two complementary dimensions: win rates and skill scores. We report results on fev-bench for various pretrained, statistical and baseline models, and identify promising directions for future research.

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.

In this study, we present a novel dataset for training machine learning models translating between OpenMP Fortran and C++ code. To ensure reliability and applicability, the dataset is created from a range of representative open-source OpenMP benchmarks. It is also refined using a meticulous code similarity test. The effectiveness of our dataset is assessed using both quantitative (CodeBLEU) and qualitative (human evaluation) methods. We showcase how this dataset significantly elevates the translation competencies of large language models (LLMs). Specifically, models without prior coding knowledge experienced a boost of times~5.1 in their CodeBLEU scores, while models with some coding familiarity saw an impressive times~9.9-fold increase. The best fine-tuned model using our dataset outperforms GPT-4. It is also reaching human-level accuracy. This work underscores the immense potential of our dataset in propelling advancements in the domain of code translation for high-performance computing. The dataset is accessible at https://github.com/bin123apple/Fortran-CPP-HPC-code-translation-dataset{OpenMP-Fortran-CPP-Translation}.

We present a benchmark dataset for evaluating method-level code generation task. The benchmark contains a dataset of 175 samples for automated evaluation and a dataset of 161 samples for manual evaluation. We also present a new metric for automatically evaluating the correctness of the generated code, and a set of criteria to manually evaluating the overall quality of the generated code.

Learning physical simulations has been an essential and central aspect of many recent research efforts in machine learning, particularly for Navier-Stokes-based fluid mechanics. Classic numerical solvers have traditionally been computationally expensive and challenging to use in inverse problems, whereas Neural solvers aim to address both concerns through machine learning. We propose a general formulation for continuous convolutions using separable basis functions as a superset of existing methods and evaluate a large set of basis functions in the context of (a) a compressible 1D SPH simulation, (b) a weakly compressible 2D SPH simulation, and (c) an incompressible 2D SPH Simulation. We demonstrate that even and odd symmetries included in the basis functions are key aspects of stability and accuracy. Our broad evaluation shows that Fourier-based continuous convolutions outperform all other architectures regarding accuracy and generalization. Finally, using these Fourier-based networks, we show that prior inductive biases, such as window functions, are no longer necessary. An implementation of our approach, as well as complete datasets and solver implementations, is available at https://github.com/tum-pbs/SFBC.

This paper presents a methodology to learn surrogate models of steady state fluid dynamics simulations on meshed domains, based on Implicit Neural Representations (INRs). The proposed models can be applied directly to unstructured domains for different flow conditions, handle non-parametric 3D geometric variations, and generalize to unseen shapes at test time. The coordinate-based formulation naturally leads to robustness with respect to discretization, allowing an excellent trade-off between computational cost (memory footprint and training time) and accuracy. The method is demonstrated on two industrially relevant applications: a RANS dataset of the two-dimensional compressible flow over a transonic airfoil and a dataset of the surface pressure distribution over 3D wings, including shape, inflow condition, and control surface deflection variations. On the considered test cases, our approach achieves a more than three times lower test error and significantly improves generalization error on unseen geometries compared to state-of-the-art Graph Neural Network architectures. Remarkably, the method can perform inference five order of magnitude faster than the high fidelity solver on the RANS transonic airfoil dataset. Code is available at https://gitlab.isae-supaero.fr/gi.catalani/aero-nepf

In engineering design, navigating complex decision-making landscapes demands a thorough exploration of the design, performance, and constraint spaces, often impeded by resource-intensive simulations. Data-driven methods can mitigate this challenge by harnessing historical data to delineate feasible domains, accelerate optimization, or evaluate designs. However, the implementation of these methods usually demands machine-learning expertise and multiple trials to choose the right method and hyperparameters. This makes them less accessible for numerous engineering situations. Additionally, there is an inherent trade-off between training speed and accuracy, with faster methods sometimes compromising precision. In our paper, we demonstrate that a recently released general-purpose transformer-based classification model, TabPFN, is both fast and accurate. Notably, it requires no dataset-specific training to assess new tabular data. TabPFN is a Prior-Data Fitted Network, which undergoes a one-time offline training across a broad spectrum of synthetic datasets and performs in-context learning. We evaluated TabPFN's efficacy across eight engineering design classification problems, contrasting it with seven other algorithms, including a state-of-the-art AutoML method. For these classification challenges, TabPFN consistently outperforms in speed and accuracy. It is also the most data-efficient and provides the added advantage of being differentiable and giving uncertainty estimates. Our findings advocate for the potential of pre-trained models that learn from synthetic data and require no domain-specific tuning to make data-driven engineering design accessible to a broader community and open ways to efficient general-purpose models valid across applications. Furthermore, we share a benchmark problem set for evaluating new classification algorithms in engineering design.

A mesh motion model based on deep operator networks is presented. The model is trained on and evaluated against a biharmonic mesh motion model on a fluid-structure interaction benchmark problem and further evaluated in a setting where biharmonic mesh motion fails. The performance of the proposed mesh motion model is comparable to the biharmonic mesh motion on the test problems.

Large multimodal datasets have been instrumental in recent breakthroughs such as CLIP, Stable Diffusion, and GPT-4. At the same time, datasets rarely receive the same research attention as model architectures or training algorithms. To address this shortcoming in the machine learning ecosystem, we introduce DataComp, a benchmark where the training code is fixed and researchers innovate by proposing new training sets. We provide a testbed for dataset experiments centered around a new candidate pool of 12.8B image-text pairs from Common Crawl. Participants in our benchmark design new filtering techniques or curate new data sources and then evaluate their new dataset by running our standardized CLIP training code and testing on 38 downstream test sets. Our benchmark consists of multiple scales, with four candidate pool sizes and associated compute budgets ranging from 12.8M to 12.8B samples seen during training. This multi-scale design facilitates the study of scaling trends and makes the benchmark accessible to researchers with varying resources. Our baseline experiments show that the DataComp workflow is a promising way of improving multimodal datasets. We introduce DataComp-1B, a dataset created by applying a simple filtering algorithm to the 12.8B candidate pool. The resulting 1.4B subset enables training a CLIP ViT-L/14 from scratch to 79.2% zero-shot accuracy on ImageNet. Our new ViT-L/14 model outperforms a larger ViT-g/14 trained on LAION-2B by 0.7 percentage points while requiring 9x less training compute. We also outperform OpenAI's CLIP ViT-L/14 by 3.7 percentage points, which is trained with the same compute budget as our model. These gains highlight the potential for improving model performance by carefully curating training sets. We view DataComp-1B as only the first step and hope that DataComp paves the way toward the next generation of multimodal datasets.

Stellarators are magnetic confinement devices under active development to deliver steady-state carbon-free fusion energy. Their design involves a high-dimensional, constrained optimization problem that requires expensive physics simulations and significant domain expertise. Recent advances in plasma physics and open-source tools have made stellarator optimization more accessible. However, broader community progress is currently bottlenecked by the lack of standardized optimization problems with strong baselines and datasets that enable data-driven approaches, particularly for quasi-isodynamic (QI) stellarator configurations, considered as a promising path to commercial fusion due to their inherent resilience to current-driven disruptions. Here, we release an open dataset of diverse QI-like stellarator plasma boundary shapes, paired with their ideal magnetohydrodynamic (MHD) equilibria and performance metrics. We generated this dataset by sampling a variety of QI fields and optimizing corresponding stellarator plasma boundaries. We introduce three optimization benchmarks of increasing complexity: (1) a single-objective geometric optimization problem, (2) a "simple-to-build" QI stellarator, and (3) a multi-objective ideal-MHD stable QI stellarator that investigates trade-offs between compactness and coil simplicity. For every benchmark, we provide reference code, evaluation scripts, and strong baselines based on classical optimization techniques. Finally, we show how learned models trained on our dataset can efficiently generate novel, feasible configurations without querying expensive physics oracles. By openly releasing the dataset along with benchmark problems and baselines, we aim to lower the entry barrier for optimization and machine learning researchers to engage in stellarator design and to accelerate cross-disciplinary progress toward bringing fusion energy to the grid.

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

We introduce a benchmark to evaluate the capability of AI to solve problems in theoretical physics, focusing on high-energy theory and cosmology. The first iteration of our benchmark consists of 57 problems of varying difficulty, from undergraduate to research level. These problems are novel in the sense that they do not come from public problem collections. We evaluate our data set on various open and closed language models, including o3-mini, o1, DeepSeek-R1, GPT-4o and versions of Llama and Qwen. While we find impressive progress in model performance with the most recent models, our research-level difficulty problems are mostly unsolved. We address challenges of auto-verifiability and grading, and discuss common failure modes. While currently state-of-the art models are still of limited use for researchers, our results show that AI assisted theoretical physics research may become possible in the near future. We discuss the main obstacles towards this goal and possible strategies to overcome them. The public problems and solutions, results for various models, and updates to the data set and score distribution, are available on the website of the dataset tpbench.org.

The spatiotemporal resolution of Partial Differential Equations (PDEs) plays important roles in the mathematical description of the world's physical phenomena. In general, scientists and engineers solve PDEs numerically by the use of computationally demanding solvers. Recently, deep learning algorithms have emerged as a viable alternative for obtaining fast solutions for PDEs. Models are usually trained on synthetic data generated by solvers, stored on disk and read back for training. This paper advocates that relying on a traditional static dataset to train these models does not allow the full benefit of the solver to be used as a data generator. It proposes an open source online training framework for deep surrogate models. The framework implements several levels of parallelism focused on simultaneously generating numerical simulations and training deep neural networks. This approach suppresses the I/O and storage bottleneck associated with disk-loaded datasets, and opens the way to training on significantly larger datasets. Experiments compare the offline and online training of four surrogate models, including state-of-the-art architectures. Results indicate that exposing deep surrogate models to more dataset diversity, up to hundreds of GB, can increase model generalization capabilities. Fully connected neural networks, Fourier Neural Operator (FNO), and Message Passing PDE Solver prediction accuracy is improved by 68%, 16% and 7%, respectively.

Datasets have gained an enormous amount of popularity in the computer vision community, from training and evaluation of Deep Learning-based methods to benchmarking Simultaneous Localization and Mapping (SLAM). Without a doubt, synthetic imagery bears a vast potential due to scalability in terms of amounts of data obtainable without tedious manual ground truth annotations or measurements. Here, we present a dataset with the aim of providing a higher degree of photo-realism, larger scale, more variability as well as serving a wider range of purposes compared to existing datasets. Our dataset leverages the availability of millions of professional interior designs and millions of production-level furniture and object assets -- all coming with fine geometric details and high-resolution texture. We render high-resolution and high frame-rate video sequences following realistic trajectories while supporting various camera types as well as providing inertial measurements. Together with the release of the dataset, we will make executable program of our interactive simulator software as well as our renderer available at https://interiornetdataset.github.io. To showcase the usability and uniqueness of our dataset, we show benchmarking results of both sparse and dense SLAM algorithms.

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.

The work focuses on gathering high-fidelity and low-fidelity numerical simulations data using Nektar++ (Solver based on Applied Mathematics) and XFOIL respectively. The utilization of the higher polynomial distribution in calculating the Coefficient of lift and drag has demonstrated superior accuracy and precision. Further, Co-kriging Data fusion and Adaptive sampling technique has been used to obtain the precise data predictions for the lift and drag within the confined domain without conducting the costly simulations on HPC clusters. This creates a methodology to quantifying uncertainty in computational fluid dynamics by minimizing the required number of samples. To minimize the reliability on high-fidelity numerical simulations in Uncertainty Quantification, a multi-fidelity strategy has been adopted. The effectiveness of the multi-fidelity deep neural network model has been validated through the approximation of benchmark functions across 1-, 32-, and 100-dimensional, encompassing both linear and nonlinear correlations. The surrogate modelling results showed that multi-fidelity deep neural network model has shown excellent approximation capabilities for the test functions and multi-fidelity deep neural network method has outperformed Co-kriging in effectiveness. In addition to that, multi-fidelity deep neural network model is utilized for the simulation of aleatory uncertainty propagation in 1-, 32-, and 100 dimensional function test, considering both uniform and Gaussian distributions for input uncertainties. The results have shown that multi-fidelity deep neural network model has efficiently predicted the probability density distributions of quantities of interest as well as the statistical moments with precision and accuracy. The Co-Kriging model has exhibited limitations when addressing 32-Dimension problems due to the limitation of memory capacity for storage and manipulation.

The rapid advancement of Large Language Models (LLMs) and Large Multimodal Models (LMMs) has heightened the demand for AI-based scientific assistants capable of understanding scientific articles and figures. Despite progress, there remains a significant gap in evaluating models' comprehension of professional, graduate-level, and even PhD-level scientific content. Current datasets and benchmarks primarily focus on relatively simple scientific tasks and figures, lacking comprehensive assessments across diverse advanced scientific disciplines. To bridge this gap, we collected a multimodal, multidisciplinary dataset from open-access scientific articles published in Nature Communications journals. This dataset spans 72 scientific disciplines, ensuring both diversity and quality. We created benchmarks with various tasks and settings to comprehensively evaluate LMMs' capabilities in understanding scientific figures and content. Our evaluation revealed that these tasks are highly challenging: many open-source models struggled significantly, and even GPT-4V and GPT-4o faced difficulties. We also explored using our dataset as training resources by constructing visual instruction-following data, enabling the 7B LLaVA model to achieve performance comparable to GPT-4V/o on our benchmark. Additionally, we investigated the use of our interleaved article texts and figure images for pre-training LMMs, resulting in improvements on the material generation task. The source dataset, including articles, figures, constructed benchmarks, and visual instruction-following data, is open-sourced.

We present a neural operator architecture to simulate Lagrangian dynamics, such as fluid flow, granular flows, and elastoplasticity. Traditional numerical methods, such as the finite element method (FEM), suffer from long run times and large memory consumption. On the other hand, approaches based on graph neural networks are faster but still suffer from long computation times on dense graphs, which are often required for high-fidelity simulations. Our model, GIOROM or Graph Interaction Operator for Reduced-Order Modeling, learns temporal dynamics within a reduced-order setting, capturing spatial features from a highly sparse graph representation of the input and generalizing to arbitrary spatial locations during inference. The model is geometry-aware and discretization-agnostic and can generalize to different initial conditions, velocities, and geometries after training. We show that point clouds of the order of 100,000 points can be inferred from sparse graphs with sim1000 points, with negligible change in computation time. We empirically evaluate our model on elastic solids, Newtonian fluids, Non-Newtonian fluids, Drucker-Prager granular flows, and von Mises elastoplasticity. On these benchmarks, our approach results in a 25times speedup compared to other neural network-based physics simulators while delivering high-fidelity predictions of complex physical systems and showing better performance on most benchmarks. The code and the demos are provided at https://github.com/HrishikeshVish/GIOROM.

We introduce CASS, the first large-scale dataset and model suite for cross-architecture GPU code transpilation, targeting both source-level (CUDA leftrightarrow HIP) and assembly-level (Nvidia SASS leftrightarrow AMD RDNA3) translation. The dataset comprises 70k verified code pairs across host and device, addressing a critical gap in low-level GPU code portability. Leveraging this resource, we train the CASS family of domain-specific language models, achieving 95% source translation accuracy and 37.5% assembly translation accuracy, substantially outperforming commercial baselines such as GPT-4o, Claude, and Hipify. Our generated code matches native performance in over 85% of test cases, preserving runtime and memory behavior. To support rigorous evaluation, we introduce CASS-Bench, a curated benchmark spanning 16 GPU domains with ground-truth execution. All data, models, and evaluation tools are released as open source to foster progress in GPU compiler tooling, binary compatibility, and LLM-guided hardware translation. Dataset and benchmark are on https://huggingface.co/datasets/MBZUAI/cass{blue{HuggingFace}}, with code at https://github.com/GustavoStahl/CASS{blue{GitHub}}.

The aim of this study is to develop surrogate models for quick, accurate prediction of thrust forces generated through flapping fin propulsion for given operating conditions and fin geometries. Different network architectures and configurations are explored to model the training data separately for the lead fin and rear fin of a tandem fin setup. We progressively improve the data representation of the input parameter space for model predictions. The models are tested on three unseen fin geometries and the predictions validated with computational fluid dynamics (CFD) data. Finally, the orders of magnitude gains in computational performance of these surrogate models, compared to experimental and CFD runs, vs their tradeoff with accuracy is discussed within the context of this tandem fin configuration.

CPU performance prediction, which involves forecasting the performance scores of a CPU based on its hardware characteristics during its operation, is a critical technology for computational system design and resource management in the big data era. However, this research field currently faces two significant challenges. First, collecting real-world data is challenging due to the wide variety of CPU products on the market and the highly specialized nature of relevant hardware characteristics. In the research process, this field lacks a standard dataset with unified hardware characteristics, wide data coverage, and comprehensive benchmarks. Second, existing methods based on hardware simulation models or machine learning exhibit notable shortcomings, such as lengthy simulation test cycles and low prediction accuracy. To bridge these gaps, we first collect, preprocess, and standardize historical data from the 4th Generation Intel Xeon Scalable Processors across multiple benchmark suites to create a new dataset, named PerfCastDB. Subsequently, we design a deep learning based model called Nova CPU Performance Predictor (NCPP) as the baseline for this new dataset. The NCPP network is designed based on group attention mechanism. It effectively quantifies the implicit relationships between hardware characteristics within and across groups and comprehensively models the impact of various hardware characteristics on CPU performance prediction. We conduct comparative experiments using the proposed PerfCastDB dataset. Compared to existing approaches, NCPP achieves superior evaluation results, demonstrating its effectiveness. Furthermore, we have open-sourced part of the dataset and the NCPP network code to facilitate subsequent research. The resources can be accessed at https://github.com/xiaoman-liu/NCPP.

This paper introduces a public dataset of 1.4 million procedurally-generated bicycle designs represented parametrically, as JSON files, and as rasterized images. The dataset is created through the use of a rendering engine which harnesses the BikeCAD software to generate vector graphics from parametric designs. This rendering engine is discussed in the paper and also released publicly alongside the dataset. Though this dataset has numerous applications, a principal motivation is the need to train cross-modal predictive models between parametric and image-based design representations. For example, we demonstrate that a predictive model can be trained to accurately estimate Contrastive Language-Image Pretraining (CLIP) embeddings from a parametric representation directly. This allows similarity relations to be established between parametric bicycle designs and text strings or reference images. Trained predictive models are also made public. The dataset joins the BIKED dataset family which includes thousands of mixed-representation human-designed bicycle models and several datasets quantifying design performance. The code and dataset can be found at: https://github.com/Lyleregenwetter/BIKED_multimodal/tree/main

Benchmarks that closely reflect downstream application scenarios are essential for the streamlined adoption of new research in tabular machine learning (ML). In this work, we examine existing tabular benchmarks and find two common characteristics of industry-grade tabular data that are underrepresented in the datasets available to the academic community. First, tabular data often changes over time in real-world deployment scenarios. This impacts model performance and requires time-based train and test splits for correct model evaluation. Yet, existing academic tabular datasets often lack timestamp metadata to enable such evaluation. Second, a considerable portion of datasets in production settings stem from extensive data acquisition and feature engineering pipelines. For each specific dataset, this can have a different impact on the absolute and relative number of predictive, uninformative, and correlated features, which in turn can affect model selection. To fill the aforementioned gaps in academic benchmarks, we introduce TabReD -- a collection of eight industry-grade tabular datasets covering a wide range of domains from finance to food delivery services. We assess a large number of tabular ML models in the feature-rich, temporally-evolving data setting facilitated by TabReD. We demonstrate that evaluation on time-based data splits leads to different methods ranking, compared to evaluation on random splits more common in academic benchmarks. Furthermore, on the TabReD datasets, MLP-like architectures and GBDT show the best results, while more sophisticated DL models are yet to prove their effectiveness.

Neural operators have proven to be a promising approach for modeling spatiotemporal systems in the physical sciences. However, training these models for large systems can be quite challenging as they incur significant computational and memory expense -- these systems are often forced to rely on autoregressive time-stepping of the neural network to predict future temporal states. While this is effective in managing costs, it can lead to uncontrolled error growth over time and eventual instability. We analyze the sources of this autoregressive error growth using prototypical neural operator models for physical systems and explore ways to mitigate it. We introduce architectural and application-specific improvements that allow for careful control of instability-inducing operations within these models without inflating the compute/memory expense. We present results on several scientific systems that include Navier-Stokes fluid flow, rotating shallow water, and a high-resolution global weather forecasting system. We demonstrate that applying our design principles to neural operators leads to significantly lower errors for long-term forecasts as well as longer time horizons without qualitative signs of divergence compared to the original models for these systems. We open-source our https://github.com/mikemccabe210/stabilizing_neural_operators{code} for reproducibility.

Accurately describing the distribution of CO_2 in the atmosphere with atmospheric tracer transport models is essential for greenhouse gas monitoring and verification support systems to aid implementation of international climate agreements. Large deep neural networks are poised to revolutionize weather prediction, which requires 3D modeling of the atmosphere. While similar in this regard, atmospheric transport modeling is subject to new challenges. Both, stable predictions for longer time horizons and mass conservation throughout need to be achieved, while IO plays a larger role compared to computational costs. In this study we explore four different deep neural networks (UNet, GraphCast, Spherical Fourier Neural Operator and SwinTransformer) which have proven as state-of-the-art in weather prediction to assess their usefulness for atmospheric tracer transport modeling. For this, we assemble the CarbonBench dataset, a systematic benchmark tailored for machine learning emulators of Eulerian atmospheric transport. Through architectural adjustments, we decouple the performance of our emulators from the distribution shift caused by a steady rise in atmospheric CO_2. More specifically, we center CO_2 input fields to zero mean and then use an explicit flux scheme and a mass fixer to assure mass balance. This design enables stable and mass conserving transport for over 6 months with all four neural network architectures. In our study, the SwinTransformer displays particularly strong emulation skill (90-day R^2 > 0.99), with physically plausible emulation even for forward runs of multiple years. This work paves the way forward towards high resolution forward and inverse modeling of inert trace gases with neural networks.

The availability of large public datasets and the increased amount of computing power have shifted the interest of the medical community to high-performance algorithms. However, little attention is paid to the quality of the data and their annotations. High performance on benchmark datasets may be reported without considering possible shortcuts or artifacts in the data, besides, models are not tested on subpopulation groups. With this work, we aim to raise awareness about shortcuts problems. We validate previous findings, and present a case study on chest X-rays using two publicly available datasets. We share annotations for a subset of pneumothorax images with drains. We conclude with general recommendations for medical image classification.

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.

Time series has been left behind in the era of pre-training and transfer learning. While research in the fields of natural language processing and computer vision are enjoying progressively larger datasets to train massive models, the most popular time series datasets consist of only tens of thousands of time steps, limiting our ability to study the effectiveness of pre-training and scaling. Recent studies have also cast doubt on the need for expressive models and scale. To alleviate these issues, we introduce three large-scale time series forecasting datasets from the cloud operations (CloudOps) domain, the largest having billions of observations, enabling further study into pre-training and scaling of time series models. We build the empirical groundwork for studying pre-training and scaling of time series models and pave the way for future research by identifying a promising candidate architecture. We show that it is a strong zero-shot baseline and benefits from further scaling, both in model and dataset size. Accompanying these datasets and results is a suite of comprehensive benchmark results comparing classical and deep learning baselines to our pre-trained method - achieving a 27% reduction in error on the largest dataset. Code and datasets will be released.

We introduce Dynaboard, an evaluation-as-a-service framework for hosting benchmarks and conducting holistic model comparison, integrated with the Dynabench platform. Our platform evaluates NLP models directly instead of relying on self-reported metrics or predictions on a single dataset. Under this paradigm, models are submitted to be evaluated in the cloud, circumventing the issues of reproducibility, accessibility, and backwards compatibility that often hinder benchmarking in NLP. This allows users to interact with uploaded models in real time to assess their quality, and permits the collection of additional metrics such as memory use, throughput, and robustness, which -- despite their importance to practitioners -- have traditionally been absent from leaderboards. On each task, models are ranked according to the Dynascore, a novel utility-based aggregation of these statistics, which users can customize to better reflect their preferences, placing more/less weight on a particular axis of evaluation or dataset. As state-of-the-art NLP models push the limits of traditional benchmarks, Dynaboard offers a standardized solution for a more diverse and comprehensive evaluation of model quality.

Entity resolution (record linkage, microclustering) systems are notoriously difficult to evaluate. Looking for a needle in a haystack, traditional evaluation methods use sophisticated, application-specific sampling schemes to find matching pairs of records among an immense number of non-matches. We propose an alternative that facilitates the creation of representative, reusable benchmark data sets without necessitating complex sampling schemes. These benchmark data sets can then be used for model training and a variety of evaluation tasks. Specifically, we propose an entity-centric data labeling methodology that integrates with a unified framework for monitoring summary statistics, estimating key performance metrics such as cluster and pairwise precision and recall, and analyzing root causes for errors. We validate the framework in an application to inventor name disambiguation and through simulation studies. Software: https://github.com/OlivierBinette/er-evaluation/

We present ConDiff, a novel dataset for scientific machine learning. ConDiff focuses on the parametric diffusion equation with space dependent coefficients, a fundamental problem in many applications of partial differential equations (PDEs). The main novelty of the proposed dataset is that we consider discontinuous coefficients with high contrast. These coefficient functions are sampled from a selected set of distributions. This class of problems is not only of great academic interest, but is also the basis for describing various environmental and industrial problems. In this way, ConDiff shortens the gap with real-world problems while remaining fully synthetic and easy to use. ConDiff consists of a diverse set of diffusion equations with coefficients covering a wide range of contrast levels and heterogeneity with a measurable complexity metric for clearer comparison between different coefficient functions. We baseline ConDiff on standard deep learning models in the field of scientific machine learning. By providing a large number of problem instances, each with its own coefficient function and right-hand side, we hope to encourage the development of novel physics-based deep learning approaches, such as neural operators, ultimately driving progress towards more accurate and efficient solutions of complex PDE problems.

Cross-device federated learning is an emerging machine learning (ML) paradigm where a large population of devices collectively train an ML model while the data remains on the devices. This research field has a unique set of practical challenges, and to systematically make advances, new datasets curated to be compatible with this paradigm are needed. Existing federated learning benchmarks in the image domain do not accurately capture the scale and heterogeneity of many real-world use cases. We introduce FLAIR, a challenging large-scale annotated image dataset for multi-label classification suitable for federated learning. FLAIR has 429,078 images from 51,414 Flickr users and captures many of the intricacies typically encountered in federated learning, such as heterogeneous user data and a long-tailed label distribution. We implement multiple baselines in different learning setups for different tasks on this dataset. We believe FLAIR can serve as a challenging benchmark for advancing the state-of-the art in federated learning. Dataset access and the code for the benchmark are available at https://github.com/apple/ml-flair.

Hyperparameter optimization (HPO) is a core problem for the machine learning community and remains largely unsolved due to the significant computational resources required to evaluate hyperparameter configurations. As a result, a series of recent related works have focused on the direction of transfer learning for quickly fine-tuning hyperparameters on a dataset. Unfortunately, the community does not have a common large-scale benchmark for comparing HPO algorithms. Instead, the de facto practice consists of empirical protocols on arbitrary small-scale meta-datasets that vary inconsistently across publications, making reproducibility a challenge. To resolve this major bottleneck and enable a fair and fast comparison of black-box HPO methods on a level playing field, we propose HPO-B, a new large-scale benchmark in the form of a collection of meta-datasets. Our benchmark is assembled and preprocessed from the OpenML repository and consists of 176 search spaces (algorithms) evaluated sparsely on 196 datasets with a total of 6.4 million hyperparameter evaluations. For ensuring reproducibility on our benchmark, we detail explicit experimental protocols, splits, and evaluation measures for comparing methods for both non-transfer, as well as, transfer learning HPO.

The quality of datasets plays an increasingly crucial role in the research and development of modern artificial intelligence (AI). Despite the proliferation of open dataset platforms nowadays, data quality issues, such as insufficient documentation, inaccurate annotations, and ethical concerns, remain common in datasets widely used in AI. Furthermore, these issues are often subtle and difficult to be detected by rule-based scripts, requiring expensive manual identification and verification by dataset users or maintainers. With the increasing capability of large language models (LLMs), it is promising to streamline the curation of datasets with LLM agents. In this work, as the initial step towards this goal, we propose a dataset curation agent benchmark, DCA-Bench, to measure LLM agents' capability of detecting hidden dataset quality issues. Specifically, we collect diverse real-world dataset quality issues from eight open dataset platforms as a testbed. Additionally, to establish an automatic pipeline for evaluating the success of LLM agents, which requires a nuanced understanding of the agent outputs, we implement a dedicated Evaluator using another LLM agent. We demonstrate that the LLM-based Evaluator empirically aligns well with human evaluation, allowing reliable automatic evaluation on the proposed benchmark. We further conduct experiments on several baseline LLM agents on the proposed benchmark and demonstrate the complexity of the task, indicating that applying LLMs to real-world dataset curation still requires further in-depth exploration and innovation. Finally, the proposed benchmark can also serve as a testbed for measuring the capability of LLMs in problem discovery rather than just problem-solving. The benchmark suite is available at https://github.com/TRAIS-Lab/dca-bench.

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.

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.

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.

Physics-based numerical models have been the bedrock of atmospheric sciences for decades, offering robust solutions but often at the cost of significant computational resources. Deep learning (DL) models have emerged as powerful tools in meteorology, capable of analyzing complex weather and climate data by learning intricate dependencies and providing rapid predictions once trained. While these models demonstrate promising performance in weather prediction, often surpassing traditional physics-based methods, they still face critical challenges. This paper presents a comprehensive survey of recent deep learning and foundation models for weather prediction. We propose a taxonomy to classify existing models based on their training paradigms: deterministic predictive learning, probabilistic generative learning, and pre-training and fine-tuning. For each paradigm, we delve into the underlying model architectures, address major challenges, offer key insights, and propose targeted directions for future research. Furthermore, we explore real-world applications of these methods and provide a curated summary of open-source code repositories and widely used datasets, aiming to bridge research advancements with practical implementations while fostering open and trustworthy scientific practices in adopting cutting-edge artificial intelligence for weather prediction. The related sources are available at https://github.com/JimengShi/ DL-Foundation-Models-Weather.

This paper introduces the human-curated PandasPlotBench dataset, designed to evaluate language models' effectiveness as assistants in visual data exploration. Our benchmark focuses on generating code for visualizing tabular data - such as a Pandas DataFrame - based on natural language instructions, complementing current evaluation tools and expanding their scope. The dataset includes 175 unique tasks. Our experiments assess several leading Large Language Models (LLMs) across three visualization libraries: Matplotlib, Seaborn, and Plotly. We show that the shortening of tasks has a minimal effect on plotting capabilities, allowing for the user interface that accommodates concise user input without sacrificing functionality or accuracy. Another of our findings reveals that while LLMs perform well with popular libraries like Matplotlib and Seaborn, challenges persist with Plotly, highlighting areas for improvement. We hope that the modular design of our benchmark will broaden the current studies on generating visualizations. Our benchmark is available online: https://huggingface.co/datasets/JetBrains-Research/plot_bench. The code for running the benchmark is also available: https://github.com/JetBrains-Research/PandasPlotBench.

Evaluation in machine learning is usually informed by past choices, for example which datasets or metrics to use. This standardization enables the comparison on equal footing using leaderboards, but the evaluation choices become sub-optimal as better alternatives arise. This problem is especially pertinent in natural language generation which requires ever-improving suites of datasets, metrics, and human evaluation to make definitive claims. To make following best model evaluation practices easier, we introduce GEMv2. The new version of the Generation, Evaluation, and Metrics Benchmark introduces a modular infrastructure for dataset, model, and metric developers to benefit from each others work. GEMv2 supports 40 documented datasets in 51 languages. Models for all datasets can be evaluated online and our interactive data card creation and rendering tools make it easier to add new datasets to the living benchmark.

Weather forecasting is one of the cornerstones of meteorological work. In this paper, we present a new benchmark dataset named Weather2K, which aims to make up for the deficiencies of existing weather forecasting datasets in terms of real-time, reliability, and diversity, as well as the key bottleneck of data quality. To be specific, our Weather2K is featured from the following aspects: 1) Reliable and real-time data. The data is hourly collected from 2,130 ground weather stations covering an area of 6 million square kilometers. 2) Multivariate meteorological variables. 20 meteorological factors and 3 constants for position information are provided with a length of 40,896 time steps. 3) Applicable to diverse tasks. We conduct a set of baseline tests on time series forecasting and spatio-temporal forecasting. To the best of our knowledge, our Weather2K is the first attempt to tackle weather forecasting task by taking full advantage of the strengths of observation data from ground weather stations. Based on Weather2K, we further propose Meteorological Factors based Multi-Graph Convolution Network (MFMGCN), which can effectively construct the intrinsic correlation among geographic locations based on meteorological factors. Sufficient experiments show that MFMGCN improves both the forecasting performance and temporal robustness. We hope our Weather2K can significantly motivate researchers to develop efficient and accurate algorithms to advance the task of weather forecasting. The dataset can be available at https://github.com/bycnfz/weather2k/.

Machine learning (ML) models are only as good as the data they are trained on. But recent studies have found datasets widely used to train and evaluate ML models, e.g. ImageNet, to have pervasive labeling errors. Erroneous labels on the train set hurt ML models' ability to generalize, and they impact evaluation and model selection using the test set. Consequently, learning in the presence of labeling errors is an active area of research, yet this field lacks a comprehensive benchmark to evaluate these methods. Most of these methods are evaluated on a few computer vision datasets with significant variance in the experimental protocols. With such a large pool of methods and inconsistent evaluation, it is also unclear how ML practitioners can choose the right models to assess label quality in their data. To this end, we propose a benchmarking environment AQuA to rigorously evaluate methods that enable machine learning in the presence of label noise. We also introduce a design space to delineate concrete design choices of label error detection models. We hope that our proposed design space and benchmark enable practitioners to choose the right tools to improve their label quality and that our benchmark enables objective and rigorous evaluation of machine learning tools facing mislabeled data.

Current foundation models exhibit impressive capabilities when prompted either with text only or with both image and text inputs. But do their capabilities change depending on the input modality? In this work, we propose IsoBench, a benchmark dataset containing problems from four major areas: math, science, algorithms, and games. Each example is presented with multiple isomorphic representations of inputs, such as visual, textual, and mathematical presentations. IsoBench provides fine-grained feedback to diagnose performance gaps caused by the form of the representation. Across various foundation models, we observe that on the same problem, models have a consistent preference towards textual representations. Most prominently, when evaluated on all IsoBench problems, Claude-3 Opus performs 28.7 points worse when provided with images instead of text; similarly, GPT-4 Turbo is 18.7 points worse and Gemini Pro is 14.9 points worse. Finally, we present two prompting techniques, IsoCombination and IsoScratchPad, which improve model performance by considering combinations of, and translations between, different input representations.

Dataset distillation and dataset pruning are two prominent techniques for compressing datasets to improve computational and storage efficiency. Despite their overlapping objectives, these approaches are rarely compared directly. Even within each field, the evaluation protocols are inconsistent across various methods, which complicates fair comparisons and hinders reproducibility. Considering these limitations, we introduce in this paper a benchmark that equitably evaluates methodologies across both distillation and pruning literatures. Notably, our benchmark reveals that in the mainstream dataset distillation setting for large-scale datasets, which heavily rely on soft labels from pre-trained models, even randomly selected subsets can achieve surprisingly competitive performance. This finding suggests that an overemphasis on soft labels may be diverting attention from the intrinsic value of the image data, while also imposing additional burdens in terms of generation, storage, and application. To address these issues, we propose a new framework for dataset compression, termed Prune, Combine, and Augment (PCA), which focuses on leveraging image data exclusively, relies solely on hard labels for evaluation, and achieves state-of-the-art performance in this setup. By shifting the emphasis back to the images, our benchmark and PCA framework pave the way for more balanced and accessible techniques in dataset compression research. Our code is available at: https://github.com/ArmandXiao/Rethinking-Dataset-Compression

Because large language models are expensive to pretrain on different datasets, using smaller-scale experiments to decide on data is crucial for reducing costs. Which benchmarks and methods of making decisions from observed performance at small scale most accurately predict the datasets that yield the best large models? To empower open exploration of this question, we release models, data, and evaluations in DataDecide -- the most extensive open suite of models over differences in data and scale. We conduct controlled pretraining experiments across 25 corpora with differing sources, deduplication, and filtering up to 100B tokens, model sizes up to 1B parameters, and 3 random seeds. We find that the ranking of models at a single, small size (e.g., 150M parameters) is a strong baseline for predicting best models at our larger target scale (1B) (~80% of com parisons correct). No scaling law methods among 8 baselines exceed the compute-decision frontier of single-scale predictions, but DataDecide can measure improvement in future scaling laws. We also identify that using continuous likelihood metrics as proxies in small experiments makes benchmarks including MMLU, ARC, HellaSwag, MBPP, and HumanEval >80% predictable at the target 1B scale with just 0.01% of the compute.

The large-scale training of multi-modal models on data scraped from the web has shown outstanding utility in infusing these models with the required world knowledge to perform effectively on multiple downstream tasks. However, one downside of scraping data from the web can be the potential sacrifice of the benchmarks on which the abilities of these models are often evaluated. To safeguard against test data contamination and to truly test the abilities of these foundation models we propose LiveXiv: A scalable evolving live benchmark based on scientific ArXiv papers. LiveXiv accesses domain-specific manuscripts at any given timestamp and proposes to automatically generate visual question-answer pairs (VQA). This is done without any human-in-the-loop, using the multi-modal content in the manuscripts, like graphs, charts, and tables. Moreover, we introduce an efficient evaluation approach that estimates the performance of all models on the evolving benchmark using evaluations of only a subset of models. This significantly reduces the overall evaluation cost. We benchmark multiple open and proprietary Large Multi-modal Models (LMMs) on the first version of our benchmark, showing its challenging nature and exposing the models true abilities, avoiding contamination. Lastly, in our commitment to high quality, we have collected and evaluated a manually verified subset. By comparing its overall results to our automatic annotations, we have found that the performance variance is indeed minimal (<2.5%). Our dataset is available online on HuggingFace, and our code will be available here.

Machine learning applications on extremely low-power devices, commonly referred to as tiny machine learning (TinyML), promises a smarter and more connected world. However, the advancement of current TinyML research is hindered by the limited size and quality of pertinent datasets. To address this challenge, we introduce Wake Vision, a large-scale, diverse dataset tailored for person detection -- the canonical task for TinyML visual sensing. Wake Vision comprises over 6 million images, which is a hundredfold increase compared to the previous standard, and has undergone thorough quality filtering. Using Wake Vision for training results in a 2.41\% increase in accuracy compared to the established benchmark. Alongside the dataset, we provide a collection of five detailed benchmark sets that assess model performance on specific segments of the test data, such as varying lighting conditions, distances from the camera, and demographic characteristics of subjects. These novel fine-grained benchmarks facilitate the evaluation of model quality in challenging real-world scenarios that are often ignored when focusing solely on overall accuracy. Through an evaluation of a MobileNetV2 TinyML model on the benchmarks, we show that the input resolution plays a more crucial role than the model width in detecting distant subjects and that the impact of quantization on model robustness is minimal, thanks to the dataset quality. These findings underscore the importance of a detailed evaluation to identify essential factors for model development. The dataset, benchmark suite, code, and models are publicly available under the CC-BY 4.0 license, enabling their use for commercial use cases.

We introduce a multi-fidelity estimator of covariance matrices that employs the log-Euclidean geometry of the symmetric positive-definite manifold. The estimator fuses samples from a hierarchy of data sources of differing fidelities and costs for variance reduction while guaranteeing definiteness, in contrast with previous approaches. The new estimator makes covariance estimation tractable in applications where simulation or data collection is expensive; to that end, we develop an optimal sample allocation scheme that minimizes the mean-squared error of the estimator given a fixed budget. Guaranteed definiteness is crucial to metric learning, data assimilation, and other downstream tasks. Evaluations of our approach using data from physical applications (heat conduction, fluid dynamics) demonstrate more accurate metric learning and speedups of more than one order of magnitude compared to benchmarks.

Hyperbolic geometry is gaining traction in machine learning for its effectiveness at capturing hierarchical structures in real-world data. Hyperbolic spaces, where neighborhoods grow exponentially, offer substantial advantages and consistently deliver state-of-the-art results across diverse applications. However, hyperbolic classifiers often grapple with computational challenges. Methods reliant on Riemannian optimization frequently exhibit sluggishness, stemming from the increased computational demands of operations on Riemannian manifolds. In response to these challenges, we present hyperDT, a novel extension of decision tree algorithms into hyperbolic space. Crucially, hyperDT eliminates the need for computationally intensive Riemannian optimization, numerically unstable exponential and logarithmic maps, or pairwise comparisons between points by leveraging inner products to adapt Euclidean decision tree algorithms to hyperbolic space. Our approach is conceptually straightforward and maintains constant-time decision complexity while mitigating the scalability issues inherent in high-dimensional Euclidean spaces. Building upon hyperDT we introduce hyperRF, a hyperbolic random forest model. Extensive benchmarking across diverse datasets underscores the superior performance of these models, providing a swift, precise, accurate, and user-friendly toolkit for hyperbolic data analysis.

Phishing remains a pervasive and growing threat, inflicting heavy economic and reputational damage. While machine learning has been effective in real-time detection of phishing attacks, progress is hindered by lack of large, high-quality datasets and benchmarks. In addition to poor-quality due to challenges in data collection, existing datasets suffer from leakage and unrealistic base rates, leading to overly optimistic performance results. In this paper, we introduce PhreshPhish, a large-scale, high-quality dataset of phishing websites that addresses these limitations. Compared to existing public datasets, PhreshPhish is substantially larger and provides significantly higher quality, as measured by the estimated rate of invalid or mislabeled data points. Additionally, we propose a comprehensive suite of benchmark datasets specifically designed for realistic model evaluation by minimizing leakage, increasing task difficulty, enhancing dataset diversity, and adjustment of base rates more likely to be seen in the real world. We train and evaluate multiple solution approaches to provide baseline performance on the benchmark sets. We believe the availability of this dataset and benchmarks will enable realistic, standardized model comparison and foster further advances in phishing detection. The datasets and benchmarks are available on Hugging Face (https://huggingface.co/datasets/phreshphish/phreshphish).

Accurate mapping of the built asset information to established data classification systems and taxonomies is crucial for effective asset management, whether for compliance at project handover or ad-hoc data integration scenarios. Due to the complex nature of built asset data, which predominantly comprises technical text elements, this process remains largely manual and reliant on domain expert input. Recent breakthroughs in contextual text representation learning (text embedding), particularly through pre-trained large language models, offer promising approaches that can facilitate the automation of cross-mapping of the built asset data. However, no comprehensive evaluation has yet been conducted to assess these models' ability to effectively represent the complex semantics specific to built asset technical terminology. This study presents a comparative benchmark of state-of-the-art text embedding models to evaluate their effectiveness in aligning built asset information with domain-specific technical concepts. Our proposed datasets are derived from two renowned built asset data classification dictionaries. The results of our benchmarking across six proposed datasets, covering three tasks of clustering, retrieval, and reranking, highlight the need for future research on domain adaptation techniques. The benchmarking resources are published as an open-source library, which will be maintained and extended to support future evaluations in this field.

The numerical solution of partial differential equations (PDEs) is difficult, having led to a century of research so far. Recently, there have been pushes to build neural--numerical hybrid solvers, which piggy-backs the modern trend towards fully end-to-end learned systems. Most works so far can only generalize over a subset of properties to which a generic solver would be faced, including: resolution, topology, geometry, boundary conditions, domain discretization regularity, dimensionality, etc. In this work, we build a solver, satisfying these properties, where all the components are based on neural message passing, replacing all heuristically designed components in the computation graph with backprop-optimized neural function approximators. We show that neural message passing solvers representationally contain some classical methods, such as finite differences, finite volumes, and WENO schemes. In order to encourage stability in training autoregressive models, we put forward a method that is based on the principle of zero-stability, posing stability as a domain adaptation problem. We validate our method on various fluid-like flow problems, demonstrating fast, stable, and accurate performance across different domain topologies, equation parameters, discretizations, etc., in 1D and 2D.

With the rapid advancement of powerful large language models (LLMs) in recent years, a wide range of software engineering tasks can now be addressed using LLMs, significantly enhancing productivity and scalability. Numerous benchmark datasets have been developed to evaluate the coding capabilities of these models, while they primarily focus on problem-solving and issue-resolution tasks. In contrast, we introduce a new coding benchmark MIGRATION-BENCH with a distinct focus: code migration. MIGRATION-BENCH aims to serve as a comprehensive benchmark for migration from Java 8 to the latest long-term support (LTS) versions (Java 17, 21), MIGRATION-BENCH includes a full dataset and its subset selected with 5,102 and 300 repositories respectively. Selected is a representative subset curated for complexity and difficulty, offering a versatile resource to support research in the field of code migration. Additionally, we provide a comprehensive evaluation framework to facilitate rigorous and standardized assessment of LLMs on this challenging task. We further propose SD-Feedback and demonstrate that LLMs can effectively tackle repository-level code migration to Java 17. For the selected subset with Claude-3.5-Sonnet-v2, SD-Feedback achieves 62.33% and 27.00% success rate (pass@1) for minimal and maximal migration respectively. The benchmark dataset and source code are available at: https://huggingface.co/collections/AmazonScience and https://github.com/amazon-science/self_debug respectively.

Substantial efforts have been devoted more recently to presenting various methods for object detection in optical remote sensing images. However, the current survey of datasets and deep learning based methods for object detection in optical remote sensing images is not adequate. Moreover, most of the existing datasets have some shortcomings, for example, the numbers of images and object categories are small scale, and the image diversity and variations are insufficient. These limitations greatly affect the development of deep learning based object detection methods. In the paper, we provide a comprehensive review of the recent deep learning based object detection progress in both the computer vision and earth observation communities. Then, we propose a large-scale, publicly available benchmark for object DetectIon in Optical Remote sensing images, which we name as DIOR. The dataset contains 23463 images and 192472 instances, covering 20 object classes. The proposed DIOR dataset 1) is large-scale on the object categories, on the object instance number, and on the total image number; 2) has a large range of object size variations, not only in terms of spatial resolutions, but also in the aspect of inter- and intra-class size variability across objects; 3) holds big variations as the images are obtained with different imaging conditions, weathers, seasons, and image quality; and 4) has high inter-class similarity and intra-class diversity. The proposed benchmark can help the researchers to develop and validate their data-driven methods. Finally, we evaluate several state-of-the-art approaches on our DIOR dataset to establish a baseline for future research.

Imagery collected from outdoor visual environments is often degraded due to the presence of dense smoke or haze. A key challenge for research in scene understanding in these degraded visual environments (DVE) is the lack of representative benchmark datasets. These datasets are required to evaluate state-of-the-art vision algorithms (e.g., detection and tracking) in degraded settings. In this paper, we address some of these limitations by introducing the first realistic hazy image benchmark, from both aerial and ground view, with paired haze-free images, and in-situ haze density measurements. This dataset was produced in a controlled environment with professional smoke generating machines that covered the entire scene, and consists of images captured from the perspective of both an unmanned aerial vehicle (UAV) and an unmanned ground vehicle (UGV). We also evaluate a set of representative state-of-the-art dehazing approaches as well as object detectors on the dataset. The full dataset presented in this paper, including the ground truth object classification bounding boxes and haze density measurements, is provided for the community to evaluate their algorithms at: https://a2i2-archangel.vision. A subset of this dataset has been used for the ``Object Detection in Haze'' Track of CVPR UG2 2022 challenge at http://cvpr2022.ug2challenge.org/track1.html.

We introduce TimeSeriesGym, a scalable benchmarking framework for evaluating Artificial Intelligence (AI) agents on time series machine learning engineering challenges. Existing benchmarks lack scalability, focus narrowly on model building in well-defined settings, and evaluate only a limited set of research artifacts (e.g., CSV submission files). To make AI agent benchmarking more relevant to the practice of machine learning engineering, our framework scales along two critical dimensions. First, recognizing that effective ML engineering requires a range of diverse skills, TimeSeriesGym incorporates challenges from diverse sources spanning multiple domains and tasks. We design challenges to evaluate both isolated capabilities (including data handling, understanding research repositories, and code translation) and their combinations, and rather than addressing each challenge independently, we develop tools that support designing multiple challenges at scale. Second, we implement evaluation mechanisms for multiple research artifacts, including submission files, code, and models, using both precise numeric measures and more flexible LLM-based evaluation approaches. This dual strategy balances objective assessment with contextual judgment. Although our initial focus is on time series applications, our framework can be readily extended to other data modalities, broadly enhancing the comprehensiveness and practical utility of agentic AI evaluation. We open-source our benchmarking framework to facilitate future research on the ML engineering capabilities of AI agents.

In this paper we address issues with image retrieval benchmarking on standard and popular Oxford 5k and Paris 6k datasets. In particular, annotation errors, the size of the dataset, and the level of challenge are addressed: new annotation for both datasets is created with an extra attention to the reliability of the ground truth. Three new protocols of varying difficulty are introduced. The protocols allow fair comparison between different methods, including those using a dataset pre-processing stage. For each dataset, 15 new challenging queries are introduced. Finally, a new set of 1M hard, semi-automatically cleaned distractors is selected. An extensive comparison of the state-of-the-art methods is performed on the new benchmark. Different types of methods are evaluated, ranging from local-feature-based to modern CNN based methods. The best results are achieved by taking the best of the two worlds. Most importantly, image retrieval appears far from being solved.

Evaluation plays a crucial role in the advancement of information retrieval (IR) models. However, current benchmarks, which are based on predefined domains and human-labeled data, face limitations in addressing evaluation needs for emerging domains both cost-effectively and efficiently. To address this challenge, we propose the Automated Heterogeneous Information Retrieval Benchmark (AIR-Bench). AIR-Bench is distinguished by three key features: 1) Automated. The testing data in AIR-Bench is automatically generated by large language models (LLMs) without human intervention. 2) Heterogeneous. The testing data in AIR-Bench is generated with respect to diverse tasks, domains and languages. 3) Dynamic. The domains and languages covered by AIR-Bench are constantly augmented to provide an increasingly comprehensive evaluation benchmark for community developers. We develop a reliable and robust data generation pipeline to automatically create diverse and high-quality evaluation datasets based on real-world corpora. Our findings demonstrate that the generated testing data in AIR-Bench aligns well with human-labeled testing data, making AIR-Bench a dependable benchmark for evaluating IR models. The resources in AIR-Bench are publicly available at https://github.com/AIR-Bench/AIR-Bench.

The rapid advancement of large language models has fundamentally shifted the bottleneck in AI development from computational power to data availability-with countless valuable datasets remaining hidden across specialized repositories, research appendices, and domain platforms. As reasoning capabilities and deep research methodologies continue to evolve, a critical question emerges: can AI agents transcend conventional search to systematically discover any dataset that meets specific user requirements, enabling truly autonomous demand-driven data curation? We introduce DatasetResearch, the first comprehensive benchmark evaluating AI agents' ability to discover and synthesize datasets from 208 real-world demands across knowledge-intensive and reasoning-intensive tasks. Our tri-dimensional evaluation framework reveals a stark reality: even advanced deep research systems achieve only 22% score on our challenging DatasetResearch-pro subset, exposing the vast gap between current capabilities and perfect dataset discovery. Our analysis uncovers a fundamental dichotomy-search agents excel at knowledge tasks through retrieval breadth, while synthesis agents dominate reasoning challenges via structured generation-yet both catastrophically fail on "corner cases" outside existing distributions. These findings establish the first rigorous baseline for dataset discovery agents and illuminate the path toward AI systems capable of finding any dataset in the digital universe. Our benchmark and comprehensive analysis provide the foundation for the next generation of self-improving AI systems and are publicly available at https://github.com/GAIR-NLP/DatasetResearch.

This paper introduces FGVC-Aircraft, a new dataset containing 10,000 images of aircraft spanning 100 aircraft models, organised in a three-level hierarchy. At the finer level, differences between models are often subtle but always visually measurable, making visual recognition challenging but possible. A benchmark is obtained by defining corresponding classification tasks and evaluation protocols, and baseline results are presented. The construction of this dataset was made possible by the work of aircraft enthusiasts, a strategy that can extend to the study of number of other object classes. Compared to the domains usually considered in fine-grained visual classification (FGVC), for example animals, aircraft are rigid and hence less deformable. They, however, present other interesting modes of variation, including purpose, size, designation, structure, historical style, and branding.

The offline reinforcement learning (RL) setting (also known as full batch RL), where a policy is learned from a static dataset, is compelling as progress enables RL methods to take advantage of large, previously-collected datasets, much like how the rise of large datasets has fueled results in supervised learning. However, existing online RL benchmarks are not tailored towards the offline setting and existing offline RL benchmarks are restricted to data generated by partially-trained agents, making progress in offline RL difficult to measure. In this work, we introduce benchmarks specifically designed for the offline setting, guided by key properties of datasets relevant to real-world applications of offline RL. With a focus on dataset collection, examples of such properties include: datasets generated via hand-designed controllers and human demonstrators, multitask datasets where an agent performs different tasks in the same environment, and datasets collected with mixtures of policies. By moving beyond simple benchmark tasks and data collected by partially-trained RL agents, we reveal important and unappreciated deficiencies of existing algorithms. To facilitate research, we have released our benchmark tasks and datasets with a comprehensive evaluation of existing algorithms, an evaluation protocol, and open-source examples. This serves as a common starting point for the community to identify shortcomings in existing offline RL methods and a collaborative route for progress in this emerging area.

As language models improve and become capable of performing more complex tasks across modalities, evaluating them automatically becomes increasingly challenging. Developing strong and robust task-specific automatic metrics gets harder, and human-annotated test sets -- which are expensive to create -- saturate more quickly. A compelling alternative is to design reliable strategies to automate the creation of test data and evaluation, but previous attempts either rely on pre-existing data, or focus solely on individual tasks. We present Zero-shot Benchmarking (ZSB), a framework for creating high-quality benchmarks for any task by leveraging language models for both synthetic test data creation and evaluation. ZSB is simple and flexible: it requires only the creation of a prompt for data generation and one for evaluation; it is scalable to tasks and languages where collecting real-world data is costly or impractical; it is model-agnostic, allowing the creation of increasingly challenging benchmarks as models improve. To assess the effectiveness of our framework, we create benchmarks for five text-only tasks and a multi-modal one: general capabilities in four languages (English, Chinese, French, and Korean), translation, and general vision-language capabilities in English. We then rank a broad range of open and closed systems on our benchmarks. ZSB rankings consistently correlate strongly with human rankings, outperforming widely-adopted standard benchmarks. Through ablations, we find that strong benchmarks can be created with open models, and that judge model size and dataset variety are crucial drivers of performance. We release all our benchmarks, and code to reproduce our experiments and to produce new benchmarks.

Can the rapid advances in code generation, function calling, and data analysis using large language models (LLMs) help automate the search and verification of hypotheses purely from a set of provided datasets? To evaluate this question, we present DiscoveryBench, the first comprehensive benchmark that formalizes the multi-step process of data-driven discovery. The benchmark is designed to systematically assess current model capabilities in discovery tasks and provide a useful resource for improving them. Our benchmark contains 264 tasks collected across 6 diverse domains, such as sociology and engineering, by manually deriving discovery workflows from published papers to approximate the real-world challenges faced by researchers, where each task is defined by a dataset, its metadata, and a discovery goal in natural language. We additionally provide 903 synthetic tasks to conduct controlled evaluations across task complexity. Furthermore, our structured formalism of data-driven discovery enables a facet-based evaluation that provides useful insights into different failure modes. We evaluate several popular LLM-based reasoning frameworks using both open and closed LLMs as baselines on DiscoveryBench and find that even the best system scores only 25%. Our benchmark, thus, illustrates the challenges in autonomous data-driven discovery and serves as a valuable resource for the community to make progress.

Constructing real-world data-to-insight pipelines often involves data extraction from data lakes, data integration across heterogeneous data sources, and diverse operations from data cleaning to analysis. The design and implementation of data science pipelines require domain knowledge, technical expertise, and even project-specific insights. AI systems have shown remarkable reasoning, coding, and understanding capabilities. However, it remains unclear to what extent these capabilities translate into successful design and execution of such complex pipelines. We introduce KRAMABENCH: a benchmark composed of 104 manually-curated real-world data science pipelines spanning 1700 data files from 24 data sources in 6 different domains. We show that these pipelines test the end-to-end capabilities of AI systems on data processing, requiring data discovery, wrangling and cleaning, efficient processing, statistical reasoning, and orchestrating data processing steps given a high-level task. Our evaluation tests 5 general models and 3 code generation models using our reference framework, DS-GURU, which instructs the AI model to decompose a question into a sequence of subtasks, reason through each step, and synthesize Python code that implements the proposed design. Our results on KRAMABENCH show that, although the models are sufficiently capable of solving well-specified data science code generation tasks, when extensive data processing and domain knowledge are required to construct real-world data science pipelines, existing out-of-box models fall short. Progress on KramaBench represents crucial steps towards developing autonomous data science agents for real-world applications. Our code, reference framework, and data are available at https://github.com/mitdbg/KramaBench.

The image-to-image translation abilities of generative learning models have recently made significant progress in the estimation of complex (steered) mappings between image distributions. While appearance based tasks like image in-painting or style transfer have been studied at length, we propose to investigate the potential of generative models in the context of physical simulations. Providing a dataset of 300k image-pairs and baseline evaluations for three different physical simulation tasks, we propose a benchmark to investigate the following research questions: i) are generative models able to learn complex physical relations from input-output image pairs? ii) what speedups can be achieved by replacing differential equation based simulations? While baseline evaluations of different current models show the potential for high speedups (ii), these results also show strong limitations toward the physical correctness (i). This underlines the need for new methods to enforce physical correctness. Data, baseline models and evaluation code http://www.physics-gen.org.

Spectral analysis provides one of the most effective paradigms for information-preserving dimensionality reduction, as simple descriptions of naturally occurring signals are often obtained via few terms of periodic basis functions. In this work, we study deep neural networks designed to harness the structure in frequency domain for efficient learning of long-range correlations in space or time: frequency-domain models (FDMs). Existing FDMs are based on complex-valued transforms i.e. Fourier Transforms (FT), and layers that perform computation on the spectrum and input data separately. This design introduces considerable computational overhead: for each layer, a forward and inverse FT. Instead, this work introduces a blueprint for frequency domain learning through a single transform: transform once (T1). To enable efficient, direct learning in the frequency domain we derive a variance-preserving weight initialization scheme and investigate methods for frequency selection in reduced-order FDMs. Our results noticeably streamline the design process of FDMs, pruning redundant transforms, and leading to speedups of 3x to 10x that increase with data resolution and model size. We perform extensive experiments on learning the solution operator of spatio-temporal dynamics, including incompressible Navier-Stokes, turbulent flows around airfoils and high-resolution video of smoke. T1 models improve on the test performance of FDMs while requiring significantly less computation (5 hours instead of 32 for our large-scale experiment), with over 20% reduction in average predictive error across tasks.

Recent years have seen a surge in deep learning approaches to accelerate numerical solvers, which provide faithful but computationally intensive simulations of the physical world. These deep surrogates are generally trained in a supervised manner from limited amounts of data slowly generated by the same solver they intend to accelerate. We propose an open-source framework that enables the online training of these models from a large ensemble run of simulations. It leverages multiple levels of parallelism to generate rich datasets. The framework avoids I/O bottlenecks and storage issues by directly streaming the generated data. A training reservoir mitigates the inherent bias of streaming while maximizing GPU throughput. Experiment on training a fully connected network as a surrogate for the heat equation shows the proposed approach enables training on 8TB of data in 2 hours with an accuracy improved by 47% and a batch throughput multiplied by 13 compared to a traditional offline procedure.

Recently, many mesh-based graph neural network (GNN) models have been proposed for modeling complex high-dimensional physical systems. Remarkable achievements have been made in significantly reducing the solving time compared to traditional numerical solvers. These methods are typically designed to i) reduce the computational cost in solving physical dynamics and/or ii) propose techniques to enhance the solution accuracy in fluid and rigid body dynamics. However, it remains under-explored whether they are effective in addressing the challenges of flexible body dynamics, where instantaneous collisions occur within a very short timeframe. In this paper, we present Hierarchical Contact Mesh Transformer (HCMT), which uses hierarchical mesh structures and can learn long-range dependencies (occurred by collisions) among spatially distant positions of a body -- two close positions in a higher-level mesh correspond to two distant positions in a lower-level mesh. HCMT enables long-range interactions, and the hierarchical mesh structure quickly propagates collision effects to faraway positions. To this end, it consists of a contact mesh Transformer and a hierarchical mesh Transformer (CMT and HMT, respectively). Lastly, we propose a flexible body dynamics dataset, consisting of trajectories that reflect experimental settings frequently used in the display industry for product designs. We also compare the performance of several baselines using well-known benchmark datasets. Our results show that HCMT provides significant performance improvements over existing methods. Our code is available at https://github.com/yuyudeep/hcmt.

Novel machine learning methods for tabular data generation are often developed on small datasets which do not match the scale required for scientific applications. We investigate a recent proposal to use XGBoost as the function approximator in diffusion and flow-matching models on tabular data, which proved to be extremely memory intensive, even on tiny datasets. In this work, we conduct a critical analysis of the existing implementation from an engineering perspective, and show that these limitations are not fundamental to the method; with better implementation it can be scaled to datasets 370x larger than previously used. Our efficient implementation also unlocks scaling models to much larger sizes which we show directly leads to improved performance on benchmark tasks. We also propose algorithmic improvements that can further benefit resource usage and model performance, including multi-output trees which are well-suited to generative modeling. Finally, we present results on large-scale scientific datasets derived from experimental particle physics as part of the Fast Calorimeter Simulation Challenge. Code is available at https://github.com/layer6ai-labs/calo-forest.

As the demand for comprehensive evaluations of diverse model capabilities steadily increases, benchmark suites have correspondingly grown significantly in scale. Despite notable advances in redundancy reduction and subset-level performance prediction, a systematic framework that effectively integrates these methods to ensure both prediction accuracy and ranking consistency is still largely elusive. In this paper, we first perform a sample-level analysis of benchmark redundancy and identify several highly similar samples that can be eliminated. Besides, we frame benchmark compression as an optimization problem with the aim of score reconstruction. Building on these, we then propose EssenceBench, a coarse-to-fine framework utilizing an iterative Genetic Algorithm (GA), which takes the advantages of fitness-based subset search and attribution-based sample search. Compared to previous methods, our approach yields superior compression results with lower reconstruction error and markedly higher efficiency. In particular, on the HellaSwag benchmark (10K samples), our method preserves the ranking of all models shifting within 5% using 25x fewer samples, and achieves 95% ranking preservation shifting within 5% using only 200x fewer samples.

Climate models have been key for assessing the impact of climate change and simulating future climate scenarios. The machine learning (ML) community has taken an increased interest in supporting climate scientists' efforts on various tasks such as climate model emulation, downscaling, and prediction tasks. Many of those tasks have been addressed on datasets created with single climate models. However, both the climate science and ML communities have suggested that to address those tasks at scale, we need large, consistent, and ML-ready climate model datasets. Here, we introduce ClimateSet, a dataset containing the inputs and outputs of 36 climate models from the Input4MIPs and CMIP6 archives. In addition, we provide a modular dataset pipeline for retrieving and preprocessing additional climate models and scenarios. We showcase the potential of our dataset by using it as a benchmark for ML-based climate model emulation. We gain new insights about the performance and generalization capabilities of the different ML models by analyzing their performance across different climate models. Furthermore, the dataset can be used to train an ML emulator on several climate models instead of just one. Such a "super emulator" can quickly project new climate change scenarios, complementing existing scenarios already provided to policymakers. We believe ClimateSet will create the basis needed for the ML community to tackle climate-related tasks at scale.

We present the RODEM Jet Datasets, a comprehensive collection of simulated large-radius jets designed to support the development and evaluation of machine-learning algorithms in particle physics. These datasets encompass a diverse range of jet sources, including quark/gluon jets, jets from the decay of W bosons, top quarks, and heavy new-physics particles. The datasets provide detailed substructure information, including jet kinematics, constituent kinematics, and track displacement details, enabling a wide range of applications in jet tagging, anomaly detection, and generative modelling.

We introduce Poseidon, a foundation model for learning the solution operators of PDEs. It is based on a multiscale operator transformer, with time-conditioned layer norms that enable continuous-in-time evaluations. A novel training strategy leveraging the semi-group property of time-dependent PDEs to allow for significant scaling-up of the training data is also proposed. Poseidon is pretrained on a diverse, large scale dataset for the governing equations of fluid dynamics. It is then evaluated on a suite of 15 challenging downstream tasks that include a wide variety of PDE types and operators. We show that Poseidon exhibits excellent performance across the board by outperforming baselines significantly, both in terms of sample efficiency and accuracy. Poseidon also generalizes very well to new physics that is not seen during pretraining. Moreover, Poseidon scales with respect to model and data size, both for pretraining and for downstream tasks. Taken together, our results showcase the surprising ability of Poseidon to learn effective representations from a very small set of PDEs during pretraining in order to generalize well to unseen and unrelated PDEs downstream, demonstrating its potential as an effective, general purpose PDE foundation model. Finally, the Poseidon model as well as underlying pretraining and downstream datasets are open sourced, with code being available at https://github.com/camlab-ethz/poseidon and pretrained models and datasets at https://huggingface.co/camlab-ethz.

We introduce PHYBench, a novel, high-quality benchmark designed for evaluating reasoning capabilities of large language models (LLMs) in physical contexts. PHYBench consists of 500 meticulously curated physics problems based on real-world physical scenarios, designed to assess the ability of models to understand and reason about realistic physical processes. Covering mechanics, electromagnetism, thermodynamics, optics, modern physics, and advanced physics, the benchmark spans difficulty levels from high school exercises to undergraduate problems and Physics Olympiad challenges. Additionally, we propose the Expression Edit Distance (EED) Score, a novel evaluation metric based on the edit distance between mathematical expressions, which effectively captures differences in model reasoning processes and results beyond traditional binary scoring methods. We evaluate various LLMs on PHYBench and compare their performance with human experts. Our results reveal that even state-of-the-art reasoning models significantly lag behind human experts, highlighting their limitations and the need for improvement in complex physical reasoning scenarios. Our benchmark results and dataset are publicly available at https://phybench-official.github.io/phybench-demo/.

Standardized benchmarks drive progress in machine learning. However, with repeated testing, the risk of overfitting grows as algorithms over-exploit benchmark idiosyncrasies. In our work, we seek to mitigate this challenge by compiling ever-expanding large-scale benchmarks called Lifelong Benchmarks. As exemplars of our approach, we create Lifelong-CIFAR10 and Lifelong-ImageNet, containing (for now) 1.69M and 1.98M test samples, respectively. While reducing overfitting, lifelong benchmarks introduce a key challenge: the high cost of evaluating a growing number of models across an ever-expanding sample set. To address this challenge, we also introduce an efficient evaluation framework: Sort \& Search (S&S), which reuses previously evaluated models by leveraging dynamic programming algorithms to selectively rank and sub-select test samples, enabling cost-effective lifelong benchmarking. Extensive empirical evaluations across 31,000 models demonstrate that S&S achieves highly-efficient approximate accuracy measurement, reducing compute cost from 180 GPU days to 5 GPU hours (1000x reduction) on a single A100 GPU, with low approximation error. As such, lifelong benchmarks offer a robust, practical solution to the "benchmark exhaustion" problem.

As foundation models grow rapidly in capability and deployment, evaluating their scientific understanding becomes increasingly critical. Existing science benchmarks have made progress towards broad **Range**, wide **Reach**, and high **Rigor**, yet they often face two major challenges: **data leakage risks** that compromise benchmarking validity, and **evaluation inefficiency** due to large-scale testing. To address these issues, we introduce the **Ever-Evolving Science Exam (EESE)**, a dynamic benchmark designed to reliably assess scientific capabilities in foundation models. Our approach consists of two components: 1) a non-public **EESE-Pool** with over 100K expertly constructed science instances (question-answer pairs) across 5 disciplines and 500+ subfields, built through a multi-stage pipeline ensuring **Range**, **Reach**, and **Rigor**, 2) a periodically updated 500-instance subset **EESE**, sampled and validated to enable leakage-resilient, low-overhead evaluations. Experiments on 32 open- and closed-source models demonstrate that EESE effectively differentiates the strengths and weaknesses of models in scientific fields and cognitive dimensions. Overall, EESE provides a robust, scalable, and forward-compatible solution for science benchmark design, offering a realistic measure of how well foundation models handle science questions. The project page is at: https://github.com/aiben-ch/EESE.

DARTS search space (DSS) has become a canonical benchmark for NAS whereas some emerging works pointed out the issue of narrow accuracy range and claimed it would hurt the method ranking. We observe some recent studies already suffer from this issue that overshadows the meaning of scores. In this work, we first propose and orchestrate a suite of improvements to frame a larger and harder DSS, termed LHD, while retaining high efficiency in search. We step forward to renovate a LHD-based new benchmark, taking care of both discernibility and accessibility. Specifically, we re-implement twelve baselines and evaluate them across twelve conditions by combining two underexpolored influential factors: transductive robustness and discretization policy, to reasonably construct a benchmark upon multi-condition evaluation. Considering that the tabular benchmarks are always insufficient to adequately evaluate the methods of neural architecture search (NAS), our work can serve as a crucial basis for the future progress of NAS. https://github.com/chaoji90/LHD

High-quality datasets are fundamental to training and evaluating machine learning models, yet their creation-especially with accurate human annotations-remains a significant challenge. Many dataset paper submissions lack originality, diversity, or rigorous quality control, and these shortcomings are often overlooked during peer review. Submissions also frequently omit essential details about dataset construction and properties. While existing tools such as datasheets aim to promote transparency, they are largely descriptive and do not provide standardized, measurable methods for evaluating data quality. Similarly, metadata requirements at conferences promote accountability but are inconsistently enforced. To address these limitations, this position paper advocates for the integration of systematic, rubric-based evaluation metrics into the dataset review process-particularly as submission volumes continue to grow. We also explore scalable, cost-effective methods for synthetic data generation, including dedicated tools and LLM-as-a-judge approaches, to support more efficient evaluation. As a call to action, we introduce DataRubrics, a structured framework for assessing the quality of both human- and model-generated datasets. Leveraging recent advances in LLM-based evaluation, DataRubrics offers a reproducible, scalable, and actionable solution for dataset quality assessment, enabling both authors and reviewers to uphold higher standards in data-centric research. We also release code to support reproducibility of LLM-based evaluations at https://github.com/datarubrics/datarubrics.

Contemporary machine learning requires training large neural networks on massive datasets and thus faces the challenges of high computational demands. Dataset distillation, as a recent emerging strategy, aims to compress real-world datasets for efficient training. However, this line of research currently struggle with large-scale and high-resolution datasets, hindering its practicality and feasibility. To this end, we re-examine the existing dataset distillation methods and identify three properties required for large-scale real-world applications, namely, realism, diversity, and efficiency. As a remedy, we propose RDED, a novel computationally-efficient yet effective data distillation paradigm, to enable both diversity and realism of the distilled data. Extensive empirical results over various neural architectures and datasets demonstrate the advancement of RDED: we can distill the full ImageNet-1K to a small dataset comprising 10 images per class within 7 minutes, achieving a notable 42% top-1 accuracy with ResNet-18 on a single RTX-4090 GPU (while the SOTA only achieves 21% but requires 6 hours).

Hyperparameter Optimization (HPO) is crucial to develop well-performing machine learning models. In order to ease prototyping and benchmarking of HPO methods, we propose carps, a benchmark framework for Comprehensive Automated Research Performance Studies allowing to evaluate N optimizers on M benchmark tasks. In this first release of carps, we focus on the four most important types of HPO task types: blackbox, multi-fidelity, multi-objective and multi-fidelity-multi-objective. With 3 336 tasks from 5 community benchmark collections and 28 variants of 9 optimizer families, we offer the biggest go-to library to date to evaluate and compare HPO methods. The carps framework relies on a purpose-built, lightweight interface, gluing together optimizers and benchmark tasks. It also features an analysis pipeline, facilitating the evaluation of optimizers on benchmarks. However, navigating a huge number of tasks while developing and comparing methods can be computationally infeasible. To address this, we obtain a subset of representative tasks by minimizing the star discrepancy of the subset, in the space spanned by the full set. As a result, we propose an initial subset of 10 to 30 diverse tasks for each task type, and include functionality to re-compute subsets as more benchmarks become available, enabling efficient evaluations. We also establish a first set of baseline results on these tasks as a measure for future comparisons. With carps (https://www.github.com/automl/CARP-S), we make an important step in the standardization of HPO evaluation.

As social media becomes increasingly prominent in our day to day lives, it is increasingly important to detect informative content and prevent the spread of disinformation and unverified rumours. While many sophisticated and successful models have been proposed in the literature, they are often compared with older NLP baselines such as SVMs, CNNs, and LSTMs. In this paper, we examine the performance of a broad set of modern transformer-based language models and show that with basic fine-tuning, these models are competitive with and can even significantly outperform recently proposed state-of-the-art methods. We present our framework as a baseline for creating and evaluating new methods for misinformation detection. We further study a comprehensive set of benchmark datasets, and discuss potential data leakage and the need for careful design of the experiments and understanding of datasets to account for confounding variables. As an extreme case example, we show that classifying only based on the first three digits of tweet ids, which contain information on the date, gives state-of-the-art performance on a commonly used benchmark dataset for fake news detection --Twitter16. We provide a simple tool to detect this problem and suggest steps to mitigate it in future datasets.

Generative models have demonstrated remarkable success in domains such as text, image, and video synthesis. In this work, we explore the application of generative models to fluid dynamics, specifically for turbulence simulation, where classical numerical solvers are computationally expensive. We propose a novel stochastic generative model based on stochastic interpolants, which enables probabilistic forecasting while incorporating physical constraints such as energy stability and divergence-freeness. Unlike conventional stochastic generative models, which are often agnostic to underlying physical laws, our approach embeds energy consistency by making the parameters of the stochastic interpolant learnable coefficients. We evaluate our method on a benchmark turbulence problem - Kolmogorov flow - demonstrating superior accuracy and stability over state-of-the-art alternatives such as autoregressive conditional diffusion models (ACDMs) and PDE-Refiner. Furthermore, we achieve stable results for significantly longer roll-outs than standard stochastic interpolants. Our results highlight the potential of physics-aware generative models in accelerating and enhancing turbulence simulations while preserving fundamental conservation properties.

Cosmological simulations provide a wealth of data in the form of point clouds and directed trees. A crucial goal is to extract insights from this data that shed light on the nature and composition of the Universe. In this paper we introduce CosmoBench, a benchmark dataset curated from state-of-the-art cosmological simulations whose runs required more than 41 million core-hours and generated over two petabytes of data. CosmoBench is the largest dataset of its kind: it contains 34 thousand point clouds from simulations of dark matter halos and galaxies at three different length scales, as well as 25 thousand directed trees that record the formation history of halos on two different time scales. The data in CosmoBench can be used for multiple tasks -- to predict cosmological parameters from point clouds and merger trees, to predict the velocities of individual halos and galaxies from their collective positions, and to reconstruct merger trees on finer time scales from those on coarser time scales. We provide several baselines on these tasks, some based on established approaches from cosmological modeling and others rooted in machine learning. For the latter, we study different approaches -- from simple linear models that are minimally constrained by symmetries to much larger and more computationally-demanding models in deep learning, such as graph neural networks. We find that least-squares fits with a handful of invariant features sometimes outperform deep architectures with many more parameters and far longer training times. Still there remains tremendous potential to improve these baselines by combining machine learning and cosmology to fully exploit the data. CosmoBench sets the stage for bridging cosmology and geometric deep learning at scale. We invite the community to push the frontier of scientific discovery by engaging with this dataset, available at https://cosmobench.streamlit.app

Classification is an important aspect of hyperspectral images processing and application. At present, the researchers mostly use the classic airborne hyperspectral imagery as the benchmark dataset. However, existing datasets suffer from three bottlenecks: (1) low spatial resolution; (2) low labeled pixels proportion; (3) low degree of subclasses distinction. In this paper, a new benchmark dataset named the Wuhan UAV-borne hyperspectral image (WHU-Hi) dataset was built for hyperspectral image classification. The WHU-Hi dataset with a high spectral resolution (nm level) and a very high spatial resolution (cm level), which we refer to here as H2 imager. Besides, the WHU-Hi dataset has a higher pixel labeling ratio and finer subclasses. Some start-of-art hyperspectral image classification methods benchmarked the WHU-Hi dataset, and the experimental results show that WHU-Hi is a challenging dataset. We hope WHU-Hi dataset can become a strong benchmark to accelerate future research.

With the growing popularity of deep learning and foundation models for tabular data, the need for standardized and reliable benchmarks is higher than ever. However, current benchmarks are static. Their design is not updated even if flaws are discovered, model versions are updated, or new models are released. To address this, we introduce TabArena, the first continuously maintained living tabular benchmarking system. To launch TabArena, we manually curate a representative collection of datasets and well-implemented models, conduct a large-scale benchmarking study to initialize a public leaderboard, and assemble a team of experienced maintainers. Our results highlight the influence of validation method and ensembling of hyperparameter configurations to benchmark models at their full potential. While gradient-boosted trees are still strong contenders on practical tabular datasets, we observe that deep learning methods have caught up under larger time budgets with ensembling. At the same time, foundation models excel on smaller datasets. Finally, we show that ensembles across models advance the state-of-the-art in tabular machine learning and investigate the contributions of individual models. We launch TabArena with a public leaderboard, reproducible code, and maintenance protocols to create a living benchmark available at https://tabarena.ai.

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.

Benchmark datasets have a significant impact on accelerating research in programming language tasks. In this paper, we introduce CodeXGLUE, a benchmark dataset to foster machine learning research for program understanding and generation. CodeXGLUE includes a collection of 10 tasks across 14 datasets and a platform for model evaluation and comparison. CodeXGLUE also features three baseline systems, including the BERT-style, GPT-style, and Encoder-Decoder models, to make it easy for researchers to use the platform. The availability of such data and baselines can help the development and validation of new methods that can be applied to various program understanding and generation problems.

Computational catalysis is playing an increasingly significant role in the design of catalysts across a wide range of applications. A common task for many computational methods is the need to accurately compute the minimum binding energy - the adsorption energy - for an adsorbate and a catalyst surface of interest. Traditionally, the identification of low energy adsorbate-surface configurations relies on heuristic methods and researcher intuition. As the desire to perform high-throughput screening increases, it becomes challenging to use heuristics and intuition alone. In this paper, we demonstrate machine learning potentials can be leveraged to identify low energy adsorbate-surface configurations more accurately and efficiently. Our algorithm provides a spectrum of trade-offs between accuracy and efficiency, with one balanced option finding the lowest energy configuration, within a 0.1 eV threshold, 86.33% of the time, while achieving a 1331x speedup in computation. To standardize benchmarking, we introduce the Open Catalyst Dense dataset containing nearly 1,000 diverse surfaces and 85,658 unique configurations.

Jupyter notebooks are widely used for machine learning (ML) prototyping. Yet few debugging tools are designed for ML code in notebooks, potentially due to the lack of benchmarks. We introduce JunoBench, the first benchmark dataset of real-world crashes in Python-based ML notebooks. JunoBench has 111 curated and reproducible crashes from public Kaggle notebooks, each paired with a verifiable fix, ranging over popular ML libraries, including TensorFlow/Keras, PyTorch, Scikit-learn, Pandas, and NumPy, as well as notebook-specific out-of-order execution issue. To support reproducibility and ease of use, JunoBench offers a unified execution environment where crashes and fixes can be reliably reproduced. By providing realistic crashes and their resolutions, JunoBench facilitates bug detection, localization, and repair tailored to the interactive and iterative nature of notebook-based ML development.

Climate change adaptation requires the understanding of disruptive weather impacts on society, where large language models (LLMs) might be applicable. However, their effectiveness is under-explored due to the difficulty of high-quality corpus collection and the lack of available benchmarks. The climate-related events stored in regional newspapers record how communities adapted and recovered from disasters. However, the processing of the original corpus is non-trivial. In this study, we first develop a disruptive weather impact dataset with a four-stage well-crafted construction pipeline. Then, we propose WXImpactBench, the first benchmark for evaluating the capacity of LLMs on disruptive weather impacts. The benchmark involves two evaluation tasks, multi-label classification and ranking-based question answering. Extensive experiments on evaluating a set of LLMs provide first-hand analysis of the challenges in developing disruptive weather impact understanding and climate change adaptation systems. The constructed dataset and the code for the evaluation framework are available to help society protect against vulnerabilities from disasters.

We introduce a novel masked pre-training technique for graph neural networks (GNNs) applied to computational fluid dynamics (CFD) problems. By randomly masking up to 40\% of input mesh nodes during pre-training, we force the model to learn robust representations of complex fluid dynamics. We pair this masking strategy with an asymmetric encoder-decoder architecture and gated multi-layer perceptrons to further enhance performance. The proposed method achieves state-of-the-art results on seven CFD datasets, including a new challenging dataset of 3D intracranial aneurysm simulations with over 250,000 nodes per mesh. Moreover, it significantly improves model performance and training efficiency across such diverse range of fluid simulation tasks. We demonstrate improvements of up to 60\% in long-term prediction accuracy compared to previous best models, while maintaining similar computational costs. Notably, our approach enables effective pre-training on multiple datasets simultaneously, significantly reducing the time and data required to achieve high performance on new tasks. Through extensive ablation studies, we provide insights into the optimal masking ratio, architectural choices, and training strategies.

Machine learning research has long focused on models rather than datasets, and prominent datasets are used for common ML tasks without regard to the breadth, difficulty, and faithfulness of the underlying problems. Neglecting the fundamental importance of data has given rise to inaccuracy, bias, and fragility in real-world applications, and research is hindered by saturation across existing dataset benchmarks. In response, we present DataPerf, a community-led benchmark suite for evaluating ML datasets and data-centric algorithms. We aim to foster innovation in data-centric AI through competition, comparability, and reproducibility. We enable the ML community to iterate on datasets, instead of just architectures, and we provide an open, online platform with multiple rounds of challenges to support this iterative development. The first iteration of DataPerf contains five benchmarks covering a wide spectrum of data-centric techniques, tasks, and modalities in vision, speech, acquisition, debugging, and diffusion prompting, and we support hosting new contributed benchmarks from the community. The benchmarks, online evaluation platform, and baseline implementations are open source, and the MLCommons Association will maintain DataPerf to ensure long-term benefits to academia and industry.

Rapid advancements in large language models (LLMs) have increased interest in deploying them on mobile devices for on-device AI applications. Mobile users interact differently with LLMs compared to desktop users, creating unique expectations and data biases. Current benchmark datasets primarily target at server and desktop environments, and there is a notable lack of extensive datasets specifically designed for mobile contexts. Additionally, mobile devices face strict limitations in storage and computing resources, constraining model size and capabilities, thus requiring optimized efficiency and prioritized knowledge. To address these challenges, we introduce Mobile-MMLU, a large-scale benchmark dataset tailored for mobile intelligence. It consists of 16,186 questions across 80 mobile-related fields, designed to evaluate LLM performance in realistic mobile scenarios. A challenging subset, Mobile-MMLU-Pro, provides advanced evaluation similar in size to MMLU-Pro but significantly more difficult than our standard full set. Both benchmarks use multiple-choice, order-invariant questions focused on practical mobile interactions, such as recipe suggestions, travel planning, and essential daily tasks. The dataset emphasizes critical mobile-specific metrics like inference latency, energy consumption, memory usage, and response quality, offering comprehensive insights into model performance under mobile constraints. Moreover, it prioritizes privacy and adaptability, assessing models' ability to perform on-device processing, maintain user privacy, and adapt to personalized usage patterns. Mobile-MMLU family offers a standardized framework for developing and comparing mobile-optimized LLMs, enabling advancements in productivity and decision-making within mobile computing environments. Our code and data are available at: https://github.com/VILA-Lab/Mobile-MMLU.

With the rapid advancement of synthetic dataset generation techniques, evaluating the quality of synthetic data has become a critical research focus. Robust evaluation not only drives innovations in data generation methods but also guides researchers in optimizing the utilization of these synthetic resources. However, current evaluation studies for synthetic datasets remain limited, lacking a universally accepted standard framework. To address this, this paper proposes a novel evaluation framework integrating generalized cross-validation experiments and domain transfer learning principles, enabling generalizable and comparable assessments of synthetic dataset quality. The framework involves training task-specific models (e.g., YOLOv5s) on both synthetic datasets and multiple real-world benchmarks (e.g., KITTI, BDD100K), forming a cross-performance matrix. Following normalization, a Generalized Cross-Validation (GCV) Matrix is constructed to quantify domain transferability. The framework introduces two key metrics. One measures the simulation quality by quantifying the similarity between synthetic data and real-world datasets, while another evaluates the transfer quality by assessing the diversity and coverage of synthetic data across various real-world scenarios. Experimental validation on Virtual KITTI demonstrates the effectiveness of our proposed framework and metrics in assessing synthetic data fidelity. This scalable and quantifiable evaluation solution overcomes traditional limitations, providing a principled approach to guide synthetic dataset optimization in artificial intelligence research.

Event sequences, characterized by irregular sampling intervals and a mix of categorical and numerical features, are common data structures in various real-world domains such as healthcare, finance, and user interaction logs. Despite advances in temporal data modeling techniques, there is no standardized benchmarks for evaluating their performance on event sequences. This complicates result comparison across different papers due to varying evaluation protocols, potentially misleading progress in this field. We introduce EBES, a comprehensive benchmarking tool with standardized evaluation scenarios and protocols, focusing on regression and classification problems with sequence-level targets. Our library simplifies benchmarking, dataset addition, and method integration through a unified interface. It includes a novel synthetic dataset and provides preprocessed real-world datasets, including the largest publicly available banking dataset. Our results provide an in-depth analysis of datasets, identifying some as unsuitable for model comparison. We investigate the importance of modeling temporal and sequential components, as well as the robustness and scaling properties of the models. These findings highlight potential directions for future research. Our benchmark aim is to facilitate reproducible research, expediting progress and increasing real-world impacts.

Recent advances in Neural Fields have enabled powerful, discretization-invariant methods for learning neural operators that approximate solutions of Partial Differential Equations (PDEs) on general geometries. Building on these developments, we introduce enf2enf, an encoder--decoder methodology for predicting steady-state Partial Differential Equations with non-parameterized geometric variability, based on recently proposed Equivariant Neural Field architectures. In enf2enf, input geometries are encoded into latent point cloud embeddings that inherently preserve geometric grounding and capture local phenomena. The resulting representations are then combined with global parameters and directly decoded into continuous output fields, thus efficiently modeling the coupling between geometry and physics. By leveraging the inductive biases of locality and translation invariance, our approach is able to capture fine-scale physical features as well as complex shape variations, thereby enhancing generalization and physical compliance. Extensive experiments on a high-fidelity aerodynamic dataset, a hyper-elastic material benchmark, and multi-element airfoil geometries, demonstrate that the proposed model achieves superior or competitive performance compared to state-of-the-art graph based, operator learning, and neural field methods. Notably, our method supports real time inference and zero-shot super-resolution, enabling efficient training on low-resolution meshes while maintaining high accuracy on full-scale discretizations.

Memory complexity and data scarcity have so far prohibited learning solution operators of partial differential equations (PDEs) at high resolutions. We address these limitations by introducing a new data efficient and highly parallelizable operator learning approach with reduced memory requirement and better generalization, called multi-grid tensorized neural operator (MG-TFNO). MG-TFNO scales to large resolutions by leveraging local and global structures of full-scale, real-world phenomena, through a decomposition of both the input domain and the operator's parameter space. Our contributions are threefold: i) we enable parallelization over input samples with a novel multi-grid-based domain decomposition, ii) we represent the parameters of the model in a high-order latent subspace of the Fourier domain, through a global tensor factorization, resulting in an extreme reduction in the number of parameters and improved generalization, and iii) we propose architectural improvements to the backbone FNO. Our approach can be used in any operator learning setting. We demonstrate superior performance on the turbulent Navier-Stokes equations where we achieve less than half the error with over 150x compression. The tensorization combined with the domain decomposition, yields over 150x reduction in the number of parameters and 7x reduction in the domain size without losses in accuracy, while slightly enabling parallelism.

Energy-efficient ventilation control plays a vital role in reducing building energy consumption while ensuring occupant health and comfort. While Computational Fluid Dynamics (CFD) simulations offer high-fidelity modeling of airflow for building HVAC design, their high computational cost makes them impractical for practical adoption in real-time building management system. In this work, we present a data-driven framework that combines the physical accuracy of CFD with the computational efficiency of machine learning to enable energy-efficient building ventilation control. Our method jointly optimizes airflow supply rates and vent angles to reduce energy use and adhere to air quality constraints. We train a neural operator transformer to learn the mapping from building control actions to airflow field distributions using high-resolution CFD data. This learned operator enables a gradient-based control framework capable of optimal decision-making. Experimental results demonstrate that our approach achieves substantial energy savings compared to maximum airflow rate control, rule-based control, and data-driven control based on regional average CO2 predictions, while consistently maintaining safe indoor air quality. These results highlight the practicality and scalability of our method for enabling safe and energy-efficient building management.

The lack of standardized robustness metrics and the widespread reliance on numerous unrelated benchmark datasets for testing have created a gap between academically validated robust models and their often problematic practical adoption. To address this, we introduce XIMAGENET-12, an explainable benchmark dataset with over 200K images and 15,600 manual semantic annotations. Covering 12 categories from ImageNet to represent objects commonly encountered in practical life and simulating six diverse scenarios, including overexposure, blurring, color changing, etc., we further propose a novel robustness criterion that extends beyond model generation ability assessment. This benchmark dataset, along with related code, is available at https://sites.google.com/view/ximagenet-12/home. Researchers and practitioners can leverage this resource to evaluate the robustness of their visual models under challenging conditions and ultimately benefit from the demands of practical computer vision systems.

High-precision modeling of systems is one of the main areas of industrial data analysis. Models of systems, their digital twins, are used to predict their behavior under various conditions. We have developed several models of a storage system using machine learning-based generative models. The system consists of several components: hard disk drive (HDD) and solid-state drive (SSD) storage pools with different RAID schemes and cache. Each storage component is represented by a probabilistic model that describes the probability distribution of the component performance in terms of IOPS and latency, depending on their configuration and external data load parameters. The results of the experiments demonstrate the errors of 4-10 % for IOPS and 3-16 % for latency predictions depending on the components and models of the system. The predictions show up to 0.99 Pearson correlation with Little's law, which can be used for unsupervised reliability checks of the models. In addition, we present novel data sets that can be used for benchmarking regression algorithms, conditional generative models, and uncertainty estimation methods in machine learning.

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.

The objective of this study is to develop a fully compressible magnetohydrodynamic solver for fast simulations of the global dynamo of the Sun using unstructured grids and GPUs. Accurate modeling of the Sun's convective layers is vital to predicting the Sun's behavior, including the solar dynamo and sunspot cycles. Currently, there are many efficient codes capable of conducting these large simulations; however, many assume an anealastic density distribution. The anelastic assumption is capable of producing accurate results for low mach numbers; however, it fails in regions with a higher mach number and a fully compressible flow must be considered. To avoid these issues, Wang et al. [1] created a Compressible High-ORder Unstructured Spectral difference (CHORUS) code for simulating fluid dynamics inside stars and planets. CHORUS++ augmented the CHORUS code to adopt a higher degree of polynomials by using cubed-sphere meshing and transfinite mapping to perform simulations on unstructured grids [2]. Recently, CHORUS++ was further developed for parallel magnetohydrodynamic (MHD) solutions on GPUs at Clarkson University. In this study the solar benchmark problems presented by Chen et al. [2] are extended to unsteady solar dynamo problems, with two different density scale heights. The CHORUS-MHD code is further accelerated by multiple GPUs and used to successfully solve these solar dynamo benchmark problems. [1] Wang, J., Liang, C., and Miesch, M. S., "A Compressible High-Order Unstructured Spectral Difference Code for Stratified Convection in Rotating Spherical Shells," Journal of Computational Physics, Vol. 290, 2015, pp. 90-111. [2] Chen, K., Liang, C., and Wan, M., "Arbitrarily high-order accurate simulations of compressible rotationally constrained convection using a transfinite mapping on cubed-sphere grids," Physics of Fluids, Vol. 35, 2023, p. 086120.

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

Space debris presents a critical challenge for the sustainability of future space missions, emphasizing the need for robust and standardized identification methods. However, a comprehensive benchmark for rocket body classification remains absent. This paper addresses this gap by introducing the RoBo6 dataset for rocket body classification based on light curves. The dataset, derived from the Mini Mega Tortora database, includes light curves for six rocket body classes: CZ-3B, Atlas 5 Centaur, Falcon 9, H-2A, Ariane 5, and Delta 4. With 5,676 training and 1,404 test samples, it addresses data inconsistencies using resampling, normalization, and filtering techniques. Several machine learning models were evaluated, including CNN and transformer-based approaches, with Astroconformer reporting the best performance. The dataset establishes a common benchmark for future comparisons and advancements in rocket body classification tasks.

LiDAR is an essential sensor for autonomous driving by collecting precise geometric information regarding a scene. %Exploiting this information for perception is interesting as the amount of available data increases. As the performance of various LiDAR perception tasks has improved, generalizations to new environments and sensors has emerged to test these optimized models in real-world conditions. This paper provides a novel dataset, ParisLuco3D, specifically designed for cross-domain evaluation to make it easier to evaluate the performance utilizing various source datasets. Alongside the dataset, online benchmarks for LiDAR semantic segmentation, LiDAR object detection, and LiDAR tracking are provided to ensure a fair comparison across methods. The ParisLuco3D dataset, evaluation scripts, and links to benchmarks can be found at the following website:https://npm3d.fr/parisluco3d

We consider the problem of modeling high-speed flows using machine learning methods. While most prior studies focus on low-speed fluid flows in which uniform time-stepping is practical, flows approaching and exceeding the speed of sound exhibit sudden changes such as shock waves. In such cases, it is essential to use adaptive time-stepping methods to allow a temporal resolution sufficient to resolve these phenomena while simultaneously balancing computational costs. Here, we propose a two-phase machine learning method, known as ShockCast, to model high-speed flows with adaptive time-stepping. In the first phase, we propose to employ a machine learning model to predict the timestep size. In the second phase, the predicted timestep is used as an input along with the current fluid fields to advance the system state by the predicted timestep. We explore several physically-motivated components for timestep prediction and introduce timestep conditioning strategies inspired by neural ODE and Mixture of Experts. As ShockCast is the first framework for learning high-speed flows, we evaluate our methods by generating two supersonic flow datasets, available at https://huggingface.co/datasets/divelab. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

We evaluate the robustness of several large language models on multiple datasets. Robustness here refers to the relative insensitivity of the model's answers to meaning-preserving variants of their input. Benchmark datasets are constructed by introducing naturally-occurring, non-malicious perturbations, or by generating semantically equivalent paraphrases of input questions or statements. We further propose a novel metric for assessing a model robustness, and demonstrate its benefits in the non-adversarial scenario by empirical evaluation of several models on the created datasets.

The advancement of high-performance computing has enabled the generation of large direct numerical simulation (DNS) datasets of turbulent flows, driving the need for efficient compression/decompression techniques that reduce storage demands while maintaining fidelity. Traditional methods, such as the discrete wavelet transform, cannot achieve compression ratios of 8 or higher for complex turbulent flows without introducing significant encoding/decoding errors. On the other hand, a super-resolution-based generative adversarial network (SR-GAN), called ZipGAN, can accurately reconstruct fine-scale features, preserving velocity gradients and structural details, even at a compression ratio of 512, thanks to the more efficient representation of the data in compact latent space. Additional benefits are ascribed to adversarial training. The high GAN training time is significantly reduced with a progressive transfer learning approach and, once trained, they can be applied independently of the Reynolds number. It is demonstrated that ZipGAN can enhance dataset temporal resolution without additional simulation overhead by generating high-quality intermediate fields from compressed snapshots. The ZipGAN discriminator can reliably evaluate the quality of decoded fields, ensuring fidelity even in the absence of original DNS fields. Hence, ZipGAN compression/decompression method presents a highly efficient and scalable alternative for large-scale DNS storage and transfer, offering substantial advantages over the DWT methods in terms of compression efficiency, reconstruction fidelity, and temporal resolution enhancement.

We introduce the Continuum Physical Dataset (ContPhy), a novel benchmark for assessing machine physical commonsense. ContPhy complements existing physical reasoning benchmarks by encompassing the inference of diverse physical properties, such as mass and density, across various scenarios and predicting corresponding dynamics. We evaluated a range of AI models and found that they still struggle to achieve satisfactory performance on ContPhy, which shows that the current AI models still lack physical commonsense for the continuum, especially soft-bodies, and illustrates the value of the proposed dataset. We also introduce an oracle model (ContPRO) that marries the particle-based physical dynamic models with the recent large language models, which enjoy the advantages of both models, precise dynamic predictions, and interpretable reasoning. ContPhy aims to spur progress in perception and reasoning within diverse physical settings, narrowing the divide between human and machine intelligence in understanding the physical world. Project page: https://physical-reasoning-project.github.io.

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.

The Massive Text Embedding Benchmark (MTEB) has become a standard evaluation platform for text embedding models. While previous work has established the core benchmark methodology, this paper focuses on the engineering aspects that ensure MTEB's continued reproducibility and extensibility. We present our approach to maintaining robust continuous integration pipelines that validate dataset integrity, automate test execution, and assess benchmark results' generalizability. We detail the design choices that collectively enhance reproducibility and usability. Furthermore, we discuss our strategies for handling community contributions and extending the benchmark with new tasks and datasets. These engineering practices have been instrumental in scaling MTEB to become more comprehensive while maintaining quality and, ultimately, relevance to the field. Our experiences offer valuable insights for benchmark maintainers facing similar challenges in ensuring reproducibility and usability in machine learning evaluation frameworks. The MTEB repository is available at: https://github.com/embeddings-benchmark/mteb

We develop a data-driven deep neural operator framework to approximate multiple output states for a diesel engine and generate real-time predictions with reasonable accuracy. As emission norms become more stringent, the need for fast and accurate models that enable analysis of system behavior have become an essential requirement for system development. The fast transient processes involved in the operation of a combustion engine make it difficult to develop accurate physics-based models for such systems. As an alternative to physics based models, we develop an operator-based regression model (DeepONet) to learn the relevant output states for a mean-value gas flow engine model using the engine operating conditions as input variables. We have adopted a mean-value model as a benchmark for comparison, simulated using Simulink. The developed approach necessitates using the initial conditions of the output states to predict the accurate sequence over the temporal domain. To this end, a sequence-to-sequence approach is embedded into the proposed framework. The accuracy of the model is evaluated by comparing the prediction output to ground truth generated from Simulink model. The maximum mathcal L_2 relative error observed was approximately 6.5%. The sensitivity of the DeepONet model is evaluated under simulated noise conditions and the model shows relatively low sensitivity to noise. The uncertainty in model prediction is further assessed by using a mean ensemble approach. The worst-case error at the (mu + 2sigma) boundary was found to be 12%. The proposed framework provides the ability to predict output states in real-time and enables data-driven learning of complex input-output operator mapping. As a result, this model can be applied during initial development stages, where accurate models may not be available.

Understanding the performance of machine learning models across diverse data distributions is critically important for reliable applications. Motivated by this, there is a growing focus on curating benchmark datasets that capture distribution shifts. While valuable, the existing benchmarks are limited in that many of them only contain a small number of shifts and they lack systematic annotation about what is different across different shifts. We present MetaShift--a collection of 12,868 sets of natural images across 410 classes--to address this challenge. We leverage the natural heterogeneity of Visual Genome and its annotations to construct MetaShift. The key construction idea is to cluster images using its metadata, which provides context for each image (e.g. "cats with cars" or "cats in bathroom") that represent distinct data distributions. MetaShift has two important benefits: first, it contains orders of magnitude more natural data shifts than previously available. Second, it provides explicit explanations of what is unique about each of its data sets and a distance score that measures the amount of distribution shift between any two of its data sets. We demonstrate the utility of MetaShift in benchmarking several recent proposals for training models to be robust to data shifts. We find that the simple empirical risk minimization performs the best when shifts are moderate and no method had a systematic advantage for large shifts. We also show how MetaShift can help to visualize conflicts between data subsets during model training.

Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experimental and theoretical approaches that require careful benchmarking. Leaderboard efforts have been developed previously to mitigate these issues. However, a comprehensive comparison and benchmarking on an integrated platform with multiple data modalities with both perfect and defect materials data is still lacking. This work introduces JARVIS-Leaderboard, an open-source and community-driven platform that facilitates benchmarking and enhances reproducibility. The platform allows users to set up benchmarks with custom tasks and enables contributions in the form of dataset, code, and meta-data submissions. We cover the following materials design categories: Artificial Intelligence (AI), Electronic Structure (ES), Force-fields (FF), Quantum Computation (QC) and Experiments (EXP). For AI, we cover several types of input data, including atomic structures, atomistic images, spectra, and text. For ES, we consider multiple ES approaches, software packages, pseudopotentials, materials, and properties, comparing results to experiment. For FF, we compare multiple approaches for material property predictions. For QC, we benchmark Hamiltonian simulations using various quantum algorithms and circuits. Finally, for experiments, we use the inter-laboratory approach to establish benchmarks. There are 1281 contributions to 274 benchmarks using 152 methods with more than 8 million data-points, and the leaderboard is continuously expanding. The JARVIS-Leaderboard is available at the website: https://pages.nist.gov/jarvis_leaderboard

As the most basic application and implementation of deep learning, image classification has grown in popularity. Various datasets are provided by renowned data science communities for benchmarking machine learning algorithms and pre-trained models. The ASSIRA Cats & Dogs dataset is one of them and is being used in this research for its overall acceptance and benchmark standards. A comparison of various pre-trained models is demonstrated by using different types of optimizers and loss functions. Hyper-parameters are changed to gain the best result from a model. By applying this approach, we have got higher accuracy without major changes in the training model. To run the experiment, we used three different computer architectures: a laptop equipped with NVIDIA GeForce GTX 1070, a laptop equipped with NVIDIA GeForce RTX 3080Ti, and a desktop equipped with NVIDIA GeForce RTX 3090. The acquired results demonstrate supremacy in terms of accuracy over the previously done experiments on this dataset. From this experiment, the highest accuracy which is 99.65% is gained using the NASNet Large.

Traditional fixed test sets fall short in evaluating open-ended capabilities of foundation models. To address this, we propose ONEBench(OpeN-Ended Benchmarking), a new testing paradigm that consolidates individual evaluation datasets into a unified, ever-expanding sample pool. ONEBench allows users to generate custom, open-ended evaluation benchmarks from this pool, corresponding to specific capabilities of interest. By aggregating samples across test sets, ONEBench enables the assessment of diverse capabilities beyond those covered by the original test sets, while mitigating overfitting and dataset bias. Most importantly, it frames model evaluation as a collective process of selecting and aggregating sample-level tests. The shift from task-specific benchmarks to ONEBench introduces two challenges: (1)heterogeneity and (2)incompleteness. Heterogeneity refers to the aggregation over diverse metrics, while incompleteness describes comparing models evaluated on different data subsets. To address these challenges, we explore algorithms to aggregate sparse measurements into reliable model scores. Our aggregation algorithm ensures identifiability(asymptotically recovering ground-truth scores) and rapid convergence, enabling accurate model ranking with less data. On homogenous datasets, we show our aggregation algorithm provides rankings that highly correlate with those produced by average scores. We also demonstrate robustness to ~95% of measurements missing, reducing evaluation cost by up to 20x with little-to-no change in model rankings. We introduce ONEBench-LLM for language models and ONEBench-LMM for vision-language models, unifying evaluations across these domains. Overall, we present a technique for open-ended evaluation, which can aggregate over incomplete, heterogeneous sample-level measurements to continually grow a benchmark alongside the rapidly developing foundation models.

The rapid advancement in artificial intelligence and natural language processing has led to the development of large-scale datasets aimed at benchmarking the performance of machine learning models. Herein, we introduce 'RetChemQA,' a comprehensive benchmark dataset designed to evaluate the capabilities of such models in the domain of reticular chemistry. This dataset includes both single-hop and multi-hop question-answer pairs, encompassing approximately 45,000 Q&As for each type. The questions have been extracted from an extensive corpus of literature containing about 2,530 research papers from publishers including NAS, ACS, RSC, Elsevier, and Nature Publishing Group, among others. The dataset has been generated using OpenAI's GPT-4 Turbo, a cutting-edge model known for its exceptional language understanding and generation capabilities. In addition to the Q&A dataset, we also release a dataset of synthesis conditions extracted from the corpus of literature used in this study. The aim of RetChemQA is to provide a robust platform for the development and evaluation of advanced machine learning algorithms, particularly for the reticular chemistry community. The dataset is structured to reflect the complexities and nuances of real-world scientific discourse, thereby enabling nuanced performance assessments across a variety of tasks. The dataset is available at the following link: https://github.com/nakulrampal/RetChemQA

Differentially private (DP) synthetic data generation is a promising technique for utilizing private datasets that otherwise cannot be exposed for model training or other analytics. While much research literature has focused on generating private unstructured text and image data, in enterprise settings, structured data (e.g., tabular) is more common, often including natural language fields or components. Existing synthetic data evaluation techniques (e.g., FID) struggle to capture the structural properties and correlations of such datasets. In this work, we propose Struct-Bench, a framework and benchmark for evaluating synthetic datasets derived from structured datasets that contain natural language data. The Struct-Bench framework requires users to provide a representation of their dataset structure as a Context-Free Grammar (CFG). Our benchmark comprises 5 real-world and 2 synthetically generated datasets, each annotated with CFGs. We show that these datasets demonstrably present a great challenge even for state-of-the-art DP synthetic data generation methods. Struct-Bench also includes reference implementations of different metrics and a leaderboard, thereby providing researchers a standardized evaluation platform to benchmark and investigate privacy-preserving synthetic data generation methods. Further, we also present a case study showing how to use Struct-Bench to improve the synthetic data quality of Private Evolution (PE) on structured data. The benchmark and the leaderboard have been publicly made available at https://struct-bench.github.io.

We introduce ArtBench-10, the first class-balanced, high-quality, cleanly annotated, and standardized dataset for benchmarking artwork generation. It comprises 60,000 images of artwork from 10 distinctive artistic styles, with 5,000 training images and 1,000 testing images per style. ArtBench-10 has several advantages over previous artwork datasets. Firstly, it is class-balanced while most previous artwork datasets suffer from the long tail class distributions. Secondly, the images are of high quality with clean annotations. Thirdly, ArtBench-10 is created with standardized data collection, annotation, filtering, and preprocessing procedures. We provide three versions of the dataset with different resolutions (32times32, 256times256, and original image size), formatted in a way that is easy to be incorporated by popular machine learning frameworks. We also conduct extensive benchmarking experiments using representative image synthesis models with ArtBench-10 and present in-depth analysis. The dataset is available at https://github.com/liaopeiyuan/artbench under a Fair Use license.

Systematic literature reviews (SLRs) play an essential role in summarising, synthesising and validating scientific evidence. In recent years, there has been a growing interest in using machine learning techniques to automate the identification of relevant studies for SLRs. However, the lack of standardised evaluation datasets makes comparing the performance of such automated literature screening systems difficult. In this paper, we analyse the citation screening evaluation datasets, revealing that many of the available datasets are either too small, suffer from data leakage or have limited applicability to systems treating automated literature screening as a classification task, as opposed to, for example, a retrieval or question-answering task. To address these challenges, we introduce CSMeD, a meta-dataset consolidating nine publicly released collections, providing unified access to 325 SLRs from the fields of medicine and computer science. CSMeD serves as a comprehensive resource for training and evaluating the performance of automated citation screening models. Additionally, we introduce CSMeD-FT, a new dataset designed explicitly for evaluating the full text publication screening task. To demonstrate the utility of CSMeD, we conduct experiments and establish baselines on new datasets.

We present TartanDrive, a large scale dataset for learning dynamics models for off-road driving. We collected a dataset of roughly 200,000 off-road driving interactions on a modified Yamaha Viking ATV with seven unique sensing modalities in diverse terrains. To the authors' knowledge, this is the largest real-world multi-modal off-road driving dataset, both in terms of number of interactions and sensing modalities. We also benchmark several state-of-the-art methods for model-based reinforcement learning from high-dimensional observations on this dataset. We find that extending these models to multi-modality leads to significant performance on off-road dynamics prediction, especially in more challenging terrains. We also identify some shortcomings with current neural network architectures for the off-road driving task. Our dataset is available at https://github.com/castacks/tartan_drive.

Acquisition of large datasets for three-dimensional (3D) partial differential equations are usually very expensive. Physics-informed neural operator (PINO) eliminates the high costs associated with generation of training datasets, and shows great potential in a variety of partial differential equations. In this work, we employ physics-informed neural operator, encoding the large-eddy simulation (LES) equations directly into the neural operator for simulating three-dimensional incompressible turbulent flows. We develop the LESnets (Large-Eddy Simulation nets) by adding large-eddy simulation equations to two different data-driven models, including Fourier neural operator (FNO) and implicit Fourier neural operator (IFNO) without using label data. Notably, by leveraging only PDE constraints to learn the spatio-temporal dynamics problem, LESnets retains the computational efficiency of data-driven approaches while obviating the necessity for data. Meanwhile, using large-eddy simulation equations as PDE constraints makes it possible to efficiently predict complex turbulence at coarse grids. We investigate the performance of the LESnets with two standard three-dimensional turbulent flows: decaying homogeneous isotropic turbulence and temporally evolving turbulent mixing layer. In the numerical experiments, the LESnets model shows a similar or even better accuracy as compared to traditional large-eddy simulation and data-driven models of FNO and IFNO. Moreover, the well-trained LESnets is significantly faster than traditional LES, and has a similar efficiency as the data-driven FNO and IFNO models. Thus, physics-informed neural operators have a strong potential for 3D nonlinear engineering applications.

We present a comprehensive evaluation of proprietary and open-weights large language models using the first astronomy-specific benchmarking dataset. This dataset comprises 4,425 multiple-choice questions curated from the Annual Review of Astronomy and Astrophysics, covering a broad range of astrophysical topics. Our analysis examines model performance across various astronomical subfields and assesses response calibration, crucial for potential deployment in research environments. Claude-3.5-Sonnet outperforms competitors by up to 4.6 percentage points, achieving 85.0% accuracy. For proprietary models, we observed a universal reduction in cost every 3-to-12 months to achieve similar score in this particular astronomy benchmark. Open-source models have rapidly improved, with LLaMA-3-70b (80.6%) and Qwen-2-72b (77.7%) now competing with some of the best proprietary models. We identify performance variations across topics, with non-English-focused models generally struggling more in exoplanet-related fields, stellar astrophysics, and instrumentation related questions. These challenges likely stem from less abundant training data, limited historical context, and rapid recent developments in these areas. This pattern is observed across both open-weights and proprietary models, with regional dependencies evident, highlighting the impact of training data diversity on model performance in specialized scientific domains. Top-performing models demonstrate well-calibrated confidence, with correlations above 0.9 between confidence and correctness, though they tend to be slightly underconfident. The development for fast, low-cost inference of open-weights models presents new opportunities for affordable deployment in astronomy. The rapid progress observed suggests that LLM-driven research in astronomy may become feasible in the near future.

Amid the expanding use of pre-training data, the phenomenon of benchmark dataset leakage has become increasingly prominent, exacerbated by opaque training processes and the often undisclosed inclusion of supervised data in contemporary Large Language Models (LLMs). This issue skews benchmark effectiveness and fosters potentially unfair comparisons, impeding the field's healthy development. To address this, we introduce a detection pipeline utilizing Perplexity and N-gram accuracy, two simple and scalable metrics that gauge a model's prediction precision on benchmark, to identify potential data leakages. By analyzing 31 LLMs under the context of mathematical reasoning, we reveal substantial instances of training even test set misuse, resulting in potentially unfair comparisons. These findings prompt us to offer several recommendations regarding model documentation, benchmark setup, and future evaluations. Notably, we propose the "Benchmark Transparency Card" to encourage clear documentation of benchmark utilization, promoting transparency and healthy developments of LLMs. we have made our leaderboard, pipeline implementation, and model predictions publicly available, fostering future research.

The quality of foundation models depends heavily on their training data. Consequently, great efforts have been put into dataset curation. Yet most approaches rely on manual tuning of coarse-grained mixtures of large buckets of data, or filtering by hand-crafted heuristics. An approach that is ultimately more scalable (let alone more satisfying) is to learn which data is actually valuable for training. This type of meta-learning could allow more sophisticated, fine-grained, and effective curation. Our proposed DataRater is an instance of this idea. It estimates the value of training on any particular data point. This is done by meta-learning using `meta-gradients', with the objective of improving training efficiency on held out data. In extensive experiments across a range of model scales and datasets, we find that using our DataRater to filter data is highly effective, resulting in significantly improved compute efficiency.

We consider the use of automated supervised learning systems for data tables that not only contain numeric/categorical columns, but one or more text fields as well. Here we assemble 18 multimodal data tables that each contain some text fields and stem from a real business application. Our publicly-available benchmark enables researchers to comprehensively evaluate their own methods for supervised learning with numeric, categorical, and text features. To ensure that any single modeling strategy which performs well over all 18 datasets will serve as a practical foundation for multimodal text/tabular AutoML, the diverse datasets in our benchmark vary greatly in: sample size, problem types (a mix of classification and regression tasks), number of features (with the number of text columns ranging from 1 to 28 between datasets), as well as how the predictive signal is decomposed between text vs. numeric/categorical features (and predictive interactions thereof). Over this benchmark, we evaluate various straightforward pipelines to model such data, including standard two-stage approaches where NLP is used to featurize the text such that AutoML for tabular data can then be applied. Compared with human data science teams, the fully automated methodology that performed best on our benchmark (stack ensembling a multimodal Transformer with various tree models) also manages to rank 1st place when fit to the raw text/tabular data in two MachineHack prediction competitions and 2nd place (out of 2380 teams) in Kaggle's Mercari Price Suggestion Challenge.

Image generation has witnessed significant advancements in the past few years. However, evaluating the performance of image generation models remains a formidable challenge. In this paper, we propose ICE-Bench, a unified and comprehensive benchmark designed to rigorously assess image generation models. Its comprehensiveness could be summarized in the following key features: (1) Coarse-to-Fine Tasks: We systematically deconstruct image generation into four task categories: No-ref/Ref Image Creating/Editing, based on the presence or absence of source images and reference images. And further decompose them into 31 fine-grained tasks covering a broad spectrum of image generation requirements, culminating in a comprehensive benchmark. (2) Multi-dimensional Metrics: The evaluation framework assesses image generation capabilities across 6 dimensions: aesthetic quality, imaging quality, prompt following, source consistency, reference consistency, and controllability. 11 metrics are introduced to support the multi-dimensional evaluation. Notably, we introduce VLLM-QA, an innovative metric designed to assess the success of image editing by leveraging large models. (3) Hybrid Data: The data comes from real scenes and virtual generation, which effectively improves data diversity and alleviates the bias problem in model evaluation. Through ICE-Bench, we conduct a thorough analysis of existing generation models, revealing both the challenging nature of our benchmark and the gap between current model capabilities and real-world generation requirements. To foster further advancements in the field, we will open-source ICE-Bench, including its dataset, evaluation code, and models, thereby providing a valuable resource for the research community.

The burgeoning utilization of Large Language Models (LLMs) in scientific research necessitates advanced benchmarks capable of evaluating their understanding and application of scientific knowledge comprehensively. To address this need, we introduce the SciKnowEval benchmark, a novel framework that systematically evaluates LLMs across five progressive levels of scientific knowledge: studying extensively, inquiring earnestly, thinking profoundly, discerning clearly, and practicing assiduously. These levels aim to assess the breadth and depth of scientific knowledge in LLMs, including knowledge coverage, inquiry and exploration capabilities, reflection and reasoning abilities, ethic and safety considerations, as well as practice proficiency. Specifically, we take biology and chemistry as the two instances of SciKnowEval and construct a dataset encompassing 50K multi-level scientific problems and solutions. By leveraging this dataset, we benchmark 20 leading open-source and proprietary LLMs using zero-shot and few-shot prompting strategies. The results reveal that despite achieving state-of-the-art performance, the proprietary LLMs still have considerable room for improvement, particularly in addressing scientific computations and applications. We anticipate that SciKnowEval will establish a comprehensive standard for benchmarking LLMs in science research and discovery, and promote the development of LLMs that integrate scientific knowledge with strong safety awareness. The dataset and code are publicly available at https://github.com/hicai-zju/sciknoweval .

Music scores are written representations of music and contain rich information about musical components. The visual information on music scores includes notes, rests, staff lines, clefs, dynamics, and articulations. This visual information in music scores contains more semantic information than audio and symbolic representations of music. Previous music score datasets have limited sizes and are mainly designed for optical music recognition (OMR). There is a lack of research on creating a large-scale benchmark dataset for music modeling and generation. In this work, we propose MusicScore, a large-scale music score dataset collected and processed from the International Music Score Library Project (IMSLP). MusicScore consists of image-text pairs, where the image is a page of a music score and the text is the metadata of the music. The metadata of MusicScore is extracted from the general information section of the IMSLP pages. The metadata includes rich information about the composer, instrument, piece style, and genre of the music pieces. MusicScore is curated into small, medium, and large scales of 400, 14k, and 200k image-text pairs with varying diversity, respectively. We build a score generation system based on a UNet diffusion model to generate visually readable music scores conditioned on text descriptions to benchmark the MusicScore dataset for music score generation. MusicScore is released to the public at https://huggingface.co/datasets/ZheqiDAI/MusicScore.

In this work, we present a novel physics-based data-driven framework for reduced-order modeling of laser ignition in a model rocket combustor based on parameterized neural ordinary differential equations (PNODE). Deep neural networks are embedded as functions of high-dimensional parameters of laser ignition to predict various terms in a 0D flow model including the heat source function, pre-exponential factors, and activation energy. Using the governing equations of a 0D flow model, our PNODE needs only a limited number of training samples and predicts trajectories of various quantities such as temperature, pressure, and mass fractions of species while satisfying physical constraints. We validate our physics-based PNODE on solution snapshots of high-fidelity Computational Fluid Dynamics (CFD) simulations of laser-induced ignition in a prototype rocket combustor. We compare the performance of our physics-based PNODE with that of kernel ridge regression and fully connected neural networks. Our results show that our physics-based PNODE provides solutions with lower mean absolute errors of average temperature over time, thus improving the prediction of successful laser ignition with high-dimensional parameters.

Modern climate projections lack adequate spatial and temporal resolution due to computational constraints. A consequence is inaccurate and imprecise predictions of critical processes such as storms. Hybrid methods that combine physics with machine learning (ML) have introduced a new generation of higher fidelity climate simulators that can sidestep Moore's Law by outsourcing compute-hungry, short, high-resolution simulations to ML emulators. However, this hybrid ML-physics simulation approach requires domain-specific treatment and has been inaccessible to ML experts because of lack of training data and relevant, easy-to-use workflows. We present ClimSim, the largest-ever dataset designed for hybrid ML-physics research. It comprises multi-scale climate simulations, developed by a consortium of climate scientists and ML researchers. It consists of 5.7 billion pairs of multivariate input and output vectors that isolate the influence of locally-nested, high-resolution, high-fidelity physics on a host climate simulator's macro-scale physical state. The dataset is global in coverage, spans multiple years at high sampling frequency, and is designed such that resulting emulators are compatible with downstream coupling into operational climate simulators. We implement a range of deterministic and stochastic regression baselines to highlight the ML challenges and their scoring. The data (https://huggingface.co/datasets/LEAP/ClimSim_high-res, https://huggingface.co/datasets/LEAP/ClimSim_low-res, and https://huggingface.co/datasets/LEAP/ClimSim_low-res_aqua-planet) and code (https://leap-stc.github.io/ClimSim) are released openly to support the development of hybrid ML-physics and high-fidelity climate simulations for the benefit of science and society.

WeatherBench 2 is an update to the global, medium-range (1-14 day) weather forecasting benchmark proposed by Rasp et al. (2020), designed with the aim to accelerate progress in data-driven weather modeling. WeatherBench 2 consists of an open-source evaluation framework, publicly available training, ground truth and baseline data as well as a continuously updated website with the latest metrics and state-of-the-art models: https://sites.research.google/weatherbench. This paper describes the design principles of the evaluation framework and presents results for current state-of-the-art physical and data-driven weather models. The metrics are based on established practices for evaluating weather forecasts at leading operational weather centers. We define a set of headline scores to provide an overview of model performance. In addition, we also discuss caveats in the current evaluation setup and challenges for the future of data-driven weather forecasting.

Hierarchical Text Classification (HTC) is a natural language processing task with the objective to classify text documents into a set of classes from a structured class hierarchy. Many HTC approaches have been proposed which attempt to leverage the class hierarchy information in various ways to improve classification performance. Machine learning-based classification approaches require large amounts of training data and are most-commonly compared through three established benchmark datasets, which include the Web Of Science (WOS), Reuters Corpus Volume 1 Version 2 (RCV1-V2) and New York Times (NYT) datasets. However, apart from the RCV1-V2 dataset which is well-documented, these datasets are not accompanied with detailed description methodologies. In this paper, we introduce three new HTC benchmark datasets in the domain of research publications which comprise the titles and abstracts of papers from the Web of Science publication database. We first create two baseline datasets which use existing journal-and citation-based classification schemas. Due to the respective shortcomings of these two existing schemas, we propose an approach which combines their classifications to improve the reliability and robustness of the dataset. We evaluate the three created datasets with a clustering-based analysis and show that our proposed approach results in a higher quality dataset where documents that belong to the same class are semantically more similar compared to the other datasets. Finally, we provide the classification performance of four state-of-the-art HTC approaches on these three new datasets to provide baselines for future studies on machine learning-based techniques for scientific publication classification.

Large-scale data collection is essential for developing personalized training data, mitigating the shortage of training data, and fine-tuning specialized models. However, creating high-quality datasets quickly and accurately remains a challenge due to annotation errors, the substantial time and costs associated with human labor. To address these issues, we propose Automatic Dataset Construction (ADC), an innovative methodology that automates dataset creation with negligible cost and high efficiency. Taking the image classification task as a starting point, ADC leverages LLMs for the detailed class design and code generation to collect relevant samples via search engines, significantly reducing the need for manual annotation and speeding up the data generation process. Despite these advantages, ADC also encounters real-world challenges such as label errors (label noise) and imbalanced data distributions (label bias). We provide open-source software that incorporates existing methods for label error detection, robust learning under noisy and biased data, ensuring a higher-quality training data and more robust model training procedure. Furthermore, we design three benchmark datasets focused on label noise detection, label noise learning, and class-imbalanced learning. These datasets are vital because there are few existing datasets specifically for label noise detection, despite its importance. Finally, we evaluate the performance of existing popular methods on these datasets, thereby facilitating further research in the field.

Numerical simulation of non-linear partial differential equations plays a crucial role in modeling physical science and engineering phenomena, such as weather, climate, and aerodynamics. Recent Machine Learning (ML) models trained on low-resolution spatio-temporal signals have shown new promises in capturing important dynamics in high-resolution signals, under the condition that the models can effectively recover the missing details. However, this study shows that significant information is often lost in the low-resolution down-sampled features. To address such issues, we propose a new approach, namely Temporal Stencil Modeling (TSM), which combines the strengths of advanced time-series sequence modeling (with the HiPPO features) and state-of-the-art neural PDE solvers (with learnable stencil modeling). TSM aims to recover the lost information from the PDE trajectories and can be regarded as a temporal generalization of classic finite volume methods such as WENO. Our experimental results show that TSM achieves the new state-of-the-art simulation accuracy for 2-D incompressible Navier-Stokes turbulent flows: it significantly outperforms the previously reported best results by 19.9% in terms of the highly-correlated duration time and reduces the inference latency into 80%. We also show a strong generalization ability of the proposed method to various out-of-distribution turbulent flow settings. Our code is available at "https://github.com/Edward-Sun/TSM-PDE".

We present a novel deep learning approach to approximate the solution of large, sparse, symmetric, positive-definite linear systems of equations. These systems arise from many problems in applied science, e.g., in numerical methods for partial differential equations. Algorithms for approximating the solution to these systems are often the bottleneck in problems that require their solution, particularly for modern applications that require many millions of unknowns. Indeed, numerical linear algebra techniques have been investigated for many decades to alleviate this computational burden. Recently, data-driven techniques have also shown promise for these problems. Motivated by the conjugate gradients algorithm that iteratively selects search directions for minimizing the matrix norm of the approximation error, we design an approach that utilizes a deep neural network to accelerate convergence via data-driven improvement of the search directions. Our method leverages a carefully chosen convolutional network to approximate the action of the inverse of the linear operator up to an arbitrary constant. We train the network using unsupervised learning with a loss function equal to the L^2 difference between an input and the system matrix times the network evaluation, where the unspecified constant in the approximate inverse is accounted for. We demonstrate the efficacy of our approach on spatially discretized Poisson equations with millions of degrees of freedom arising in computational fluid dynamics applications. Unlike state-of-the-art learning approaches, our algorithm is capable of reducing the linear system residual to a given tolerance in a small number of iterations, independent of the problem size. Moreover, our method generalizes effectively to various systems beyond those encountered during training.

Robotic dexterous grasping is important for interacting with the environment. To unleash the potential of data-driven models for dexterous grasping, a large-scale, high-quality dataset is essential. While gradient-based optimization offers a promising way for constructing such datasets, previous works suffer from limitations, such as inefficiency, strong assumptions in the grasp quality energy, or limited object sets for experiments. Moreover, the lack of a standard benchmark for comparing different methods and datasets hinders progress in this field. To address these challenges, we develop a highly efficient synthesis system and a comprehensive benchmark with MuJoCo for dexterous grasping. We formulate grasp synthesis as a bilevel optimization problem, combining a novel lower-level quadratic programming (QP) with an upper-level gradient descent process. By leveraging recent advances in CUDA-accelerated robotic libraries and GPU-based QP solvers, our system can parallelize thousands of grasps and synthesize over 49 grasps per second on a single 3090 GPU. Our synthesized grasps for Shadow, Allegro, and Leap hands all achieve a success rate above 75% in simulation, with a penetration depth under 1 mm, outperforming existing baselines on nearly all metrics. Compared to the previous large-scale dataset, DexGraspNet, our dataset significantly improves the performance of learning models, with a success rate from around 40% to 80% in simulation. Real-world testing of the trained model on the Shadow Hand achieves an 81% success rate across 20 diverse objects. The codes and datasets are released on our project page: https://pku-epic.github.io/BODex.

We introduce QuArch, a dataset of 1500 human-validated question-answer pairs designed to evaluate and enhance language models' understanding of computer architecture. The dataset covers areas including processor design, memory systems, and performance optimization. Our analysis highlights a significant performance gap: the best closed-source model achieves 84% accuracy, while the top small open-source model reaches 72%. We observe notable struggles in memory systems, interconnection networks, and benchmarking. Fine-tuning with QuArch improves small model accuracy by up to 8%, establishing a foundation for advancing AI-driven computer architecture research. The dataset and leaderboard are at https://harvard-edge.github.io/QuArch/.

Today, comprehensive evaluation of large-scale machine learning models is possible thanks to the open datasets produced using crowdsourcing, such as SQuAD, MS COCO, ImageNet, SuperGLUE, etc. These datasets capture objective responses, assuming the single correct answer, which does not allow to capture the subjective human perception. In turn, pairwise comparison tasks, in which one has to choose between only two options, allow taking peoples' preferences into account for very challenging artificial intelligence tasks, such as information retrieval and recommender system evaluation. Unfortunately, the available datasets are either small or proprietary, slowing down progress in gathering better feedback from human users. In this paper, we present IMDB-WIKI-SbS, a new large-scale dataset for evaluating pairwise comparisons. It contains 9,150 images appearing in 250,249 pairs annotated on a crowdsourcing platform. Our dataset has balanced distributions of age and gender using the well-known IMDB-WIKI dataset as ground truth. We describe how our dataset is built and then compare several baseline methods, indicating its suitability for model evaluation.

We propose a neural physics system for real-time, interactive fluid simulations. Traditional physics-based methods, while accurate, are computationally intensive and suffer from latency issues. Recent machine-learning methods reduce computational costs while preserving fidelity; yet most still fail to satisfy the latency constraints for real-time use and lack support for interactive applications. To bridge this gap, we introduce a novel hybrid method that integrates numerical simulation, neural physics, and generative control. Our neural physics jointly pursues low-latency simulation and high physical fidelity by employing a fallback safeguard to classical numerical solvers. Furthermore, we develop a diffusion-based controller that is trained using a reverse modeling strategy to generate external dynamic force fields for fluid manipulation. Our system demonstrates robust performance across diverse 2D/3D scenarios, material types, and obstacle interactions, achieving real-time simulations at high frame rates (11~29% latency) while enabling fluid control guided by user-friendly freehand sketches. We present a significant step towards practical, controllable, and physically plausible fluid simulations for real-time interactive applications. We promise to release both models and data upon acceptance.

Question answering (QA) and Machine Reading Comprehension (MRC) tasks have significantly advanced in recent years due to the rapid development of deep learning techniques and, more recently, large language models. At the same time, many benchmark datasets have become available for QA and MRC tasks. However, most existing large-scale benchmark datasets have been created predominantly using synchronous document collections like Wikipedia or the Web. Archival document collections, such as historical newspapers, contain valuable information from the past that is still not widely used to train large language models. To further contribute to advancing QA and MRC tasks and to overcome the limitation of previous datasets, we introduce ChroniclingAmericaQA, a large-scale dataset with 485K question-answer pairs created based on the historical newspaper collection Chronicling America. Our dataset is constructed from a subset of the Chronicling America newspaper collection spanning 120 years. One of the significant challenges for utilizing digitized historical newspaper collections is the low quality of OCR text. Therefore, to enable realistic testing of QA models, our dataset can be used in three different ways: answering questions from raw and noisy content, answering questions from cleaner, corrected version of the content, as well as answering questions from scanned images of newspaper pages. This and the fact that ChroniclingAmericaQA spans the longest time period among available QA datasets make it quite a unique and useful resource.

Large Language Models (LLMs) remain difficult to evaluate comprehensively, particularly for languages other than English, where high-quality data is often limited. Existing benchmarks and leaderboards are predominantly English-centric, with only a few addressing other languages. These benchmarks fall short in several key areas: they overlook the diversity of language varieties, prioritize fundamental Natural Language Processing (NLP) capabilities over tasks of industrial relevance, and are static. With these aspects in mind, we present IberBench, a comprehensive and extensible benchmark designed to assess LLM performance on both fundamental and industry-relevant NLP tasks, in languages spoken across the Iberian Peninsula and Ibero-America. IberBench integrates 101 datasets from evaluation campaigns and recent benchmarks, covering 22 task categories such as sentiment and emotion analysis, toxicity detection, and summarization. The benchmark addresses key limitations in current evaluation practices, such as the lack of linguistic diversity and static evaluation setups by enabling continual updates and community-driven model and dataset submissions moderated by a committee of experts. We evaluate 23 LLMs ranging from 100 million to 14 billion parameters and provide empirical insights into their strengths and limitations. Our findings indicate that (i) LLMs perform worse on industry-relevant tasks than in fundamental ones, (ii) performance is on average lower for Galician and Basque, (iii) some tasks show results close to random, and (iv) in other tasks LLMs perform above random but below shared task systems. IberBench offers open-source implementations for the entire evaluation pipeline, including dataset normalization and hosting, incremental evaluation of LLMs, and a publicly accessible leaderboard.

Privacy restrictions hinder the sharing of real-world Water Distribution Network (WDN) models, limiting the application of emerging data-driven machine learning, which typically requires extensive observations. To address this challenge, we propose the dataset DiTEC-WDN that comprises 36,000 unique scenarios simulated over either short-term (24 hours) or long-term (1 year) periods. We constructed this dataset using an automated pipeline that optimizes crucial parameters (e.g., pressure, flow rate, and demand patterns), facilitates large-scale simulations, and records discrete, synthetic but hydraulically realistic states under standard conditions via rule validation and post-hoc analysis. With a total of 228 million generated graph-based states, DiTEC-WDN can support a variety of machine-learning tasks, including graph-level, node-level, and link-level regression, as well as time-series forecasting. This contribution, released under a public license, encourages open scientific research in the critical water sector, eliminates the risk of exposing sensitive data, and fulfills the need for a large-scale water distribution network benchmark for study comparisons and scenario analysis.

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

Supervised machine learning approaches have been increasingly used in accelerating electronic structure prediction as surrogates of first-principle computational methods, such as density functional theory (DFT). While numerous quantum chemistry datasets focus on chemical properties and atomic forces, the ability to achieve accurate and efficient prediction of the Hamiltonian matrix is highly desired, as it is the most important and fundamental physical quantity that determines the quantum states of physical systems and chemical properties. In this work, we generate a new Quantum Hamiltonian dataset, named as QH9, to provide precise Hamiltonian matrices for 999 or 2998 molecular dynamics trajectories and 130,831 stable molecular geometries, based on the QM9 dataset. By designing benchmark tasks with various molecules, we show that current machine learning models have the capacity to predict Hamiltonian matrices for arbitrary molecules. Both the QH9 dataset and the baseline models are provided to the community through an open-source benchmark, which can be highly valuable for developing machine learning methods and accelerating molecular and materials design for scientific and technological applications. Our benchmark is publicly available at https://github.com/divelab/AIRS/tree/main/OpenDFT/QHBench.

State estimation in control and systems engineering traditionally requires extensive manual system identification or data-collection effort. However, transformer-based foundation models in other domains have reduced data requirements by leveraging pre-trained generalist models. Ultimately, developing zero-shot foundation models of system dynamics could drastically reduce manual deployment effort. While recent work shows that transformer-based end-to-end approaches can achieve zero-shot performance on unseen systems, they are limited to sensor models seen during training. We introduce the foundation model unscented Kalman filter (FM-UKF), which combines a transformer-based model of system dynamics with analytically known sensor models via an UKF, enabling generalization across varying dynamics without retraining for new sensor configurations. We evaluate FM-UKF on a new benchmark of container ship models with complex dynamics, demonstrating a competitive accuracy, effort, and robustness trade-off compared to classical methods with approximate system knowledge and to an end-to-end approach. The benchmark and dataset are open sourced to further support future research in zero-shot state estimation via foundation models.

This study presents a novel benchmark for evaluating Large Language Models (LLMs) using challenges derived from the Financial Modeling World Cup (FMWC) Excel competitions. We introduce a methodology for converting 113 existing FMWC challenges into programmatically evaluable JSON formats and use this dataset to compare the performance of several leading LLMs. Our findings demonstrate significant variations in performance across different challenge categories, with models showing specific strengths in pattern recognition tasks but struggling with complex numerical reasoning. The benchmark provides a standardized framework for assessing LLM capabilities in realistic business-oriented tasks rather than abstract academic problems. This research contributes to the growing field of AI benchmarking by establishing proficiency among the 1.5 billion people who daily use Microsoft Excel as a meaningful evaluation metric that bridges the gap between academic AI benchmarks and practical business applications.