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Apr 23

FUME: Fused Unified Multi-Gas Emission Network for Livestock Rumen Acidosis Detection

Ruminal acidosis is a prevalent metabolic disorder in dairy cattle causing significant economic losses and animal welfare concerns. Current diagnostic methods rely on invasive pH measurement, limiting scalability for continuous monitoring. We present FUME (Fused Unified Multi-gas Emission Network), the first deep learning approach for rumen acidosis detection from dual-gas optical imaging under in vitro conditions. Our method leverages complementary carbon dioxide (CO2) and methane (CH4) emission patterns captured by infrared cameras to classify rumen health into Healthy, Transitional, and Acidotic states. FUME employs a lightweight dual-stream architecture with weight-shared encoders, modality-specific self-attention, and channel attention fusion, jointly optimizing gas plume segmentation and classification of dairy cattle health. We introduce the first dual-gas OGI dataset comprising 8,967 annotated frames across six pH levels with pixel-level segmentation masks. Experiments demonstrate that FUME achieves 80.99% mIoU and 98.82% classification accuracy while using only 1.28M parameters and 1.97G MACs--outperforming state-of-the-art methods in segmentation quality with 10x lower computational cost. Ablation studies reveal that CO2 provides the primary discriminative signal and dual-task learning is essential for optimal performance. Our work establishes the feasibility of gas emission-based livestock health monitoring, paving the way for practical, in vitro acidosis detection systems. Codes are available at https://github.com/taminulislam/fume.

baselab BASE Lab @ SIUC
·
Jan 12

GasTwinFormer: A Hybrid Vision Transformer for Livestock Methane Emission Segmentation and Dietary Classification in Optical Gas Imaging

Livestock methane emissions represent 32% of human-caused methane production, making automated monitoring critical for climate mitigation strategies. We introduce GasTwinFormer, a hybrid vision transformer for real-time methane emission segmentation and dietary classification in optical gas imaging through a novel Mix Twin encoder alternating between spatially-reduced global attention and locally-grouped attention mechanisms. Our architecture incorporates a lightweight LR-ASPP decoder for multi-scale feature aggregation and enables simultaneous methane segmentation and dietary classification in a unified framework. We contribute the first comprehensive beef cattle methane emission dataset using OGI, containing 11,694 annotated frames across three dietary treatments. GasTwinFormer achieves 74.47% mIoU and 83.63% mF1 for segmentation while maintaining exceptional efficiency with only 3.348M parameters, 3.428G FLOPs, and 114.9 FPS inference speed. Additionally, our method achieves perfect dietary classification accuracy (100%), demonstrating the effectiveness of leveraging diet-emission correlations. Extensive ablation studies validate each architectural component, establishing GasTwinFormer as a practical solution for real-time livestock emission monitoring. Please see our project page at gastwinformer.github.io.

baselab BASE Lab @ SIUC
·
Aug 20, 2025

GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets

Recent years have seen the advent of molecular simulation datasets that are orders of magnitude larger and more diverse. These new datasets differ substantially in four aspects of complexity: 1. Chemical diversity (number of different elements), 2. system size (number of atoms per sample), 3. dataset size (number of data samples), and 4. domain shift (similarity of the training and test set). Despite these large differences, benchmarks on small and narrow datasets remain the predominant method of demonstrating progress in graph neural networks (GNNs) for molecular simulation, likely due to cheaper training compute requirements. This raises the question -- does GNN progress on small and narrow datasets translate to these more complex datasets? This work investigates this question by first developing the GemNet-OC model based on the large Open Catalyst 2020 (OC20) dataset. GemNet-OC outperforms the previous state-of-the-art on OC20 by 16% while reducing training time by a factor of 10. We then compare the impact of 18 model components and hyperparameter choices on performance in multiple datasets. We find that the resulting model would be drastically different depending on the dataset used for making model choices. To isolate the source of this discrepancy we study six subsets of the OC20 dataset that individually test each of the above-mentioned four dataset aspects. We find that results on the OC-2M subset correlate well with the full OC20 dataset while being substantially cheaper to train on. Our findings challenge the common practice of developing GNNs solely on small datasets, but highlight ways of achieving fast development cycles and generalizable results via moderately-sized, representative datasets such as OC-2M and efficient models such as GemNet-OC. Our code and pretrained model weights are open-sourced.

  • 7 authors
·
Apr 6, 2022

The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysts

The development of machine learning models for electrocatalysts requires a broad set of training data to enable their use across a wide variety of materials. One class of materials that currently lacks sufficient training data is oxides, which are critical for the development of OER catalysts. To address this, we developed the OC22 dataset, consisting of 62,331 DFT relaxations (~9,854,504 single point calculations) across a range of oxide materials, coverages, and adsorbates. We define generalized total energy tasks that enable property prediction beyond adsorption energies; we test baseline performance of several graph neural networks; and we provide pre-defined dataset splits to establish clear benchmarks for future efforts. In the most general task, GemNet-OC sees a ~36% improvement in energy predictions when combining the chemically dissimilar OC20 and OC22 datasets via fine-tuning. Similarly, we achieved a ~19% improvement in total energy predictions on OC20 and a ~9% improvement in force predictions in OC22 when using joint training. We demonstrate the practical utility of a top performing model by capturing literature adsorption energies and important OER scaling relationships. We expect OC22 to provide an important benchmark for models seeking to incorporate intricate long-range electrostatic and magnetic interactions in oxide surfaces. Dataset and baseline models are open sourced, and a public leaderboard is available to encourage continued community developments on the total energy tasks and data.

  • 17 authors
·
Jun 17, 2022

The Open Catalyst 2020 (OC20) Dataset and Community Challenges

Catalyst discovery and optimization is key to solving many societal and energy challenges including solar fuels synthesis, long-term energy storage, and renewable fertilizer production. Despite considerable effort by the catalysis community to apply machine learning models to the computational catalyst discovery process, it remains an open challenge to build models that can generalize across both elemental compositions of surfaces and adsorbate identity/configurations, perhaps because datasets have been smaller in catalysis than related fields. To address this we developed the OC20 dataset, consisting of 1,281,040 Density Functional Theory (DFT) relaxations (~264,890,000 single point evaluations) across a wide swath of materials, surfaces, and adsorbates (nitrogen, carbon, and oxygen chemistries). We supplemented this dataset with randomly perturbed structures, short timescale molecular dynamics, and electronic structure analyses. The dataset comprises three central tasks indicative of day-to-day catalyst modeling and comes with pre-defined train/validation/test splits to facilitate direct comparisons with future model development efforts. We applied three state-of-the-art graph neural network models (CGCNN, SchNet, Dimenet++) to each of these tasks as baseline demonstrations for the community to build on. In almost every task, no upper limit on model size was identified, suggesting that even larger models are likely to improve on initial results. The dataset and baseline models are both provided as open resources, as well as a public leader board to encourage community contributions to solve these important tasks.

  • 17 authors
·
Oct 19, 2020

OGB-LSC: A Large-Scale Challenge for Machine Learning on Graphs

Enabling effective and efficient machine learning (ML) over large-scale graph data (e.g., graphs with billions of edges) can have a great impact on both industrial and scientific applications. However, existing efforts to advance large-scale graph ML have been largely limited by the lack of a suitable public benchmark. Here we present OGB Large-Scale Challenge (OGB-LSC), a collection of three real-world datasets for facilitating the advancements in large-scale graph ML. The OGB-LSC datasets are orders of magnitude larger than existing ones, covering three core graph learning tasks -- link prediction, graph regression, and node classification. Furthermore, we provide dedicated baseline experiments, scaling up expressive graph ML models to the massive datasets. We show that expressive models significantly outperform simple scalable baselines, indicating an opportunity for dedicated efforts to further improve graph ML at scale. Moreover, OGB-LSC datasets were deployed at ACM KDD Cup 2021 and attracted more than 500 team registrations globally, during which significant performance improvements were made by a variety of innovative techniques. We summarize the common techniques used by the winning solutions and highlight the current best practices in large-scale graph ML. Finally, we describe how we have updated the datasets after the KDD Cup to further facilitate research advances. The OGB-LSC datasets, baseline code, and all the information about the KDD Cup are available at https://ogb.stanford.edu/docs/lsc/ .

  • 6 authors
·
Mar 17, 2021

AGBD: A Global-scale Biomass Dataset

Accurate estimates of Above Ground Biomass (AGB) are essential in addressing two of humanity's biggest challenges, climate change and biodiversity loss. Existing datasets for AGB estimation from satellite imagery are limited. Either they focus on specific, local regions at high resolution, or they offer global coverage at low resolution. There is a need for a machine learning-ready, globally representative, high-resolution benchmark. Our findings indicate significant variability in biomass estimates across different vegetation types, emphasizing the necessity for a dataset that accurately captures global diversity. To address these gaps, we introduce a comprehensive new dataset that is globally distributed, covers a range of vegetation types, and spans several years. This dataset combines AGB reference data from the GEDI mission with data from Sentinel-2 and PALSAR-2 imagery. Additionally, it includes pre-processed high-level features such as a dense canopy height map, an elevation map, and a land-cover classification map. We also produce a dense, high-resolution (10m) map of AGB predictions for the entire area covered by the dataset. Rigorously tested, our dataset is accompanied by several benchmark models and is publicly available. It can be easily accessed using a single line of code, offering a solid basis for efforts towards global AGB estimation. The GitHub repository github.com/ghjuliasialelli/AGBD serves as a one-stop shop for all code and data.

  • 4 authors
·
Jun 7, 2024

Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets

Recently, pre-trained foundation models have enabled significant advancements in multiple fields. In molecular machine learning, however, where datasets are often hand-curated, and hence typically small, the lack of datasets with labeled features, and codebases to manage those datasets, has hindered the development of foundation models. In this work, we present seven novel datasets categorized by size into three distinct categories: ToyMix, LargeMix and UltraLarge. These datasets push the boundaries in both the scale and the diversity of supervised labels for molecular learning. They cover nearly 100 million molecules and over 3000 sparsely defined tasks, totaling more than 13 billion individual labels of both quantum and biological nature. In comparison, our datasets contain 300 times more data points than the widely used OGB-LSC PCQM4Mv2 dataset, and 13 times more than the quantum-only QM1B dataset. In addition, to support the development of foundational models based on our proposed datasets, we present the Graphium graph machine learning library which simplifies the process of building and training molecular machine learning models for multi-task and multi-level molecular datasets. Finally, we present a range of baseline results as a starting point of multi-task and multi-level training on these datasets. Empirically, we observe that performance on low-resource biological datasets show improvement by also training on large amounts of quantum data. This indicates that there may be potential in multi-task and multi-level training of a foundation model and fine-tuning it to resource-constrained downstream tasks.

  • 34 authors
·
Oct 6, 2023

Benchmarking Object Detectors under Real-World Distribution Shifts in Satellite Imagery

Object detectors have achieved remarkable performance in many applications; however, these deep learning models are typically designed under the i.i.d. assumption, meaning they are trained and evaluated on data sampled from the same (source) distribution. In real-world deployment, however, target distributions often differ from source data, leading to substantial performance degradation. Domain Generalisation (DG) seeks to bridge this gap by enabling models to generalise to Out-Of-Distribution (OOD) data without access to target distributions during training, enhancing robustness to unseen conditions. In this work, we examine the generalisability and robustness of state-of-the-art object detectors under real-world distribution shifts, focusing particularly on spatial domain shifts. Despite the need, a standardised benchmark dataset specifically designed for assessing object detection under realistic DG scenarios is currently lacking. To address this, we introduce Real-World Distribution Shifts (RWDS), a suite of three novel DG benchmarking datasets that focus on humanitarian and climate change applications. These datasets enable the investigation of domain shifts across (i) climate zones and (ii) various disasters and geographic regions. To our knowledge, these are the first DG benchmarking datasets tailored for object detection in real-world, high-impact contexts. We aim for these datasets to serve as valuable resources for evaluating the robustness and generalisation of future object detection models. Our datasets and code are available at https://github.com/RWGAI/RWDS.

RWGAI RWGAI
·
Mar 24, 2025

Galaxy Spectra neural Network (GaSNet). II. Using Deep Learning for Spectral Classification and Redshift Predictions

Large sky spectroscopic surveys have reached the scale of photometric surveys in terms of sample sizes and data complexity. These huge datasets require efficient, accurate, and flexible automated tools for data analysis and science exploitation. We present the Galaxy Spectra Network/GaSNet-II, a supervised multi-network deep learning tool for spectra classification and redshift prediction. GaSNet-II can be trained to identify a customized number of classes and optimize the redshift predictions for classified objects in each of them. It also provides redshift errors, using a network-of-networks that reproduces a Monte Carlo test on each spectrum, by randomizing their weight initialization. As a demonstration of the capability of the deep learning pipeline, we use 260k Sloan Digital Sky Survey spectra from Data Release 16, separated into 13 classes including 140k galactic, and 120k extragalactic objects. GaSNet-II achieves 92.4% average classification accuracy over the 13 classes (larger than 90% for the majority of them), and an average redshift error of approximately 0.23% for galaxies and 2.1% for quasars. We further train/test the same pipeline to classify spectra and predict redshifts for a sample of 200k 4MOST mock spectra and 21k publicly released DESI spectra. On 4MOST mock data, we reach 93.4% accuracy in 10-class classification and an average redshift error of 0.55% for galaxies and 0.3% for active galactic nuclei. On DESI data, we reach 96% accuracy in (star/galaxy/quasar only) classification and an average redshift error of 2.8% for galaxies and 4.8% for quasars, despite the small sample size available. GaSNet-II can process ~40k spectra in less than one minute, on a normal Desktop GPU. This makes the pipeline particularly suitable for real-time analyses of Stage-IV survey observations and an ideal tool for feedback loops aimed at night-by-night survey strategy optimization.

  • 28 authors
·
Nov 7, 2023

Omni-Mol: Exploring Universal Convergent Space for Omni-Molecular Tasks

Building generalist models has recently demonstrated remarkable capabilities in diverse scientific domains. Within the realm of molecular learning, several studies have explored unifying diverse tasks across diverse domains. However, negative conflicts and interference between molecules and knowledge from different domain may have a worse impact in threefold. First, conflicting molecular representations can lead to optimization difficulties for the models. Second, mixing and scaling up training data across diverse tasks is inherently challenging. Third, the computational cost of refined pretraining is prohibitively high. To address these limitations, this paper presents Omni-Mol, a scalable and unified LLM-based framework for direct instruction tuning. Omni-Mol builds on three key components to tackles conflicts: (1) a unified encoding mechanism for any task input; (2) an active-learning-driven data selection strategy that significantly reduces dataset size; (3) a novel design of the adaptive gradient stabilization module and anchor-and-reconcile MoE framework that ensures stable convergence. Experimentally, Omni-Mol achieves state-of-the-art performance across 15 molecular tasks, demonstrates the presence of scaling laws in the molecular domain, and is supported by extensive ablation studies and analyses validating the effectiveness of its design. The code and weights of the powerful AI-driven chemistry generalist are open-sourced at: https://anonymous.4open.science/r/Omni-Mol-8EDB.

  • 5 authors
·
Feb 3, 2025

Atmospheric Transport Modeling of CO_2 with Neural Networks

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.

  • 6 authors
·
Aug 20, 2024

Modeling with the Crowd: Optimizing the Human-Machine Partnership with Zooniverse

LSST and Euclid must address the daunting challenge of analyzing the unprecedented volumes of imaging and spectroscopic data that these next-generation instruments will generate. A promising approach to overcoming this challenge involves rapid, automatic image processing using appropriately trained Deep Learning (DL) algorithms. However, reliable application of DL requires large, accurately labeled samples of training data. Galaxy Zoo Express (GZX) is a recent experiment that simulated using Bayesian inference to dynamically aggregate binary responses provided by citizen scientists via the Zooniverse crowd-sourcing platform in real time. The GZX approach enables collaboration between human and machine classifiers and provides rapidly generated, reliably labeled datasets, thereby enabling online training of accurate machine classifiers. We present selected results from GZX and show how the Bayesian aggregation engine it uses can be extended to efficiently provide object-localization and bounding-box annotations of two-dimensional data with quantified reliability. DL algorithms that are trained using these annotations will facilitate numerous panchromatic data modeling tasks including morphological classification and substructure detection in direct imaging, as well as decontamination and emission line identification for slitless spectroscopy. Effectively combining the speed of modern computational analyses with the human capacity to extrapolate from few examples will be critical if the potential of forthcoming large-scale surveys is to be realized.

  • 5 authors
·
Mar 18, 2019

The Open Catalyst 2025 (OC25) Dataset and Models for Solid-Liquid Interfaces

Catalysis at solid-liquid interfaces plays a central role in the advancement of energy storage and sustainable chemical production technologies. By enabling accurate, long-time scale simulations, machine learning (ML) models have the potential to accelerate the discovery of (electro)catalysts. While prior Open Catalyst datasets (OC20 and OC22) have advanced the field by providing large-scale density functional theory (DFT) data of adsorbates on surfaces at solid-gas interfaces, they do not capture the critical role of solvent and electrolyte effects at solid-liquid interfaces. To bridge this gap, we introduce the Open Catalyst 2025 (OC25) dataset, consisting of 7,801,261 calculations across 1,511,270 unique explicit solvent environments. OC25 constitutes the largest and most diverse solid-liquid interface dataset that is currently available and provides configurational and elemental diversity: spanning 88 elements, commonly used solvents/ions, varying solvent layers, and off-equilibrium sampling. State-of-the-art models trained on the OC25 dataset exhibit energy, force, and solvation energy errors as low as 0.1 eV, 0.015 eV/A, and 0.04 eV, respectively; significantly lower than than the recently released Universal Models for Atoms (UMA-OC20). Additionally, we discuss the impact of the quality of DFT-calculated forces on model training and performance. The dataset and accompanying baseline models are made openly available for the community. We anticipate the dataset to facilitate large length-scale and long-timescale simulations of catalytic transformations at solid-liquid interfaces, advancing molecular-level insights into functional interfaces and enabling the discovery of next-generation energy storage and conversion technologies.

  • 9 authors
·
Sep 22, 2025

ProtoGCD: Unified and Unbiased Prototype Learning for Generalized Category Discovery

Generalized category discovery (GCD) is a pragmatic but underexplored problem, which requires models to automatically cluster and discover novel categories by leveraging the labeled samples from old classes. The challenge is that unlabeled data contain both old and new classes. Early works leveraging pseudo-labeling with parametric classifiers handle old and new classes separately, which brings about imbalanced accuracy between them. Recent methods employing contrastive learning neglect potential positives and are decoupled from the clustering objective, leading to biased representations and sub-optimal results. To address these issues, we introduce a unified and unbiased prototype learning framework, namely ProtoGCD, wherein old and new classes are modeled with joint prototypes and unified learning objectives, {enabling unified modeling between old and new classes}. Specifically, we propose a dual-level adaptive pseudo-labeling mechanism to mitigate confirmation bias, together with two regularization terms to collectively help learn more suitable representations for GCD. Moreover, for practical considerations, we devise a criterion to estimate the number of new classes. Furthermore, we extend ProtoGCD to detect unseen outliers, achieving task-level unification. Comprehensive experiments show that ProtoGCD achieves state-of-the-art performance on both generic and fine-grained datasets. The code is available at https://github.com/mashijie1028/ProtoGCD.

  • 4 authors
·
Apr 2, 2025 2

Operational machine learning for remote spectroscopic detection of CH_{4} point sources

Mitigating anthropogenic methane sources is one the most cost-effective levers to slow down global warming. While satellite-based imaging spectrometers, such as EMIT, PRISMA, and EnMAP, can detect these point sources, current methane retrieval methods based on matched filters still produce a high number of false detections requiring laborious manual verification. This paper describes the operational deployment of a machine learning system for detecting methane emissions within the Methane Alert and Response System (MARS) of the United Nations Environment Programme's International Methane Emissions Observatory. We created the largest and most diverse global dataset of annotated methane plumes from three imaging spectrometer missions and quantitatively compared different deep learning model configurations. Focusing on the requirements for operational deployment, we extended prior evaluation methodologies from small tiled datasets to full granule evaluation. This revealed that deep learning models still produce a large number of false detections, a problem we address with model ensembling, which reduced false detections by over 74%. Deployed in the MARS pipeline, our system processes scenes and proposes plumes to analysts, accelerating the detection and analysis process. During seven months of operational deployment, it facilitated the verification of 1,351 distinct methane leaks, resulting in 479 stakeholder notifications. We further demonstrate the model's utility in verifying mitigation success through case studies in Libya, Argentina, Oman, and Azerbaijan. Our work represents a critical step towards a global AI-assisted methane leak detection system, which is required to process the dramatically higher data volumes expected from new and current imaging spectrometers.

  • 8 authors
·
Nov 10, 2025

STAR: A First-Ever Dataset and A Large-Scale Benchmark for Scene Graph Generation in Large-Size Satellite Imagery

Scene graph generation (SGG) in satellite imagery (SAI) benefits promoting understanding of geospatial scenarios from perception to cognition. In SAI, objects exhibit great variations in scales and aspect ratios, and there exist rich relationships between objects (even between spatially disjoint objects), which makes it attractive to holistically conduct SGG in large-size very-high-resolution (VHR) SAI. However, there lack such SGG datasets. Due to the complexity of large-size SAI, mining triplets <subject, relationship, object> heavily relies on long-range contextual reasoning. Consequently, SGG models designed for small-size natural imagery are not directly applicable to large-size SAI. This paper constructs a large-scale dataset for SGG in large-size VHR SAI with image sizes ranging from 512 x 768 to 27,860 x 31,096 pixels, named STAR (Scene graph generaTion in lArge-size satellite imageRy), encompassing over 210K objects and over 400K triplets. To realize SGG in large-size SAI, we propose a context-aware cascade cognition (CAC) framework to understand SAI regarding object detection (OBD), pair pruning and relationship prediction for SGG. We also release a SAI-oriented SGG toolkit with about 30 OBD and 10 SGG methods which need further adaptation by our devised modules on our challenging STAR dataset. The dataset and toolkit are available at: https://linlin-dev.github.io/project/STAR.

  • 14 authors
·
Jun 13, 2024

Maximizing Efficiency of Dataset Compression for Machine Learning Potentials With Information Theory

Machine learning interatomic potentials (MLIPs) balance high accuracy and lower costs compared to density functional theory calculations, but their performance often depends on the size and diversity of training datasets. Large datasets improve model accuracy and generalization but are computationally expensive to produce and train on, while smaller datasets risk discarding rare but important atomic environments and compromising MLIP accuracy/reliability. Here, we develop an information-theoretical framework to quantify the efficiency of dataset compression methods and propose an algorithm that maximizes this efficiency. By framing atomistic dataset compression as an instance of the minimum set cover (MSC) problem over atom-centered environments, our method identifies the smallest subset of structures that contains as much information as possible from the original dataset while pruning redundant information. The approach is extensively demonstrated on the GAP-20 and TM23 datasets, and validated on 64 varied datasets from the ColabFit repository. Across all cases, MSC consistently retains outliers, preserves dataset diversity, and reproduces the long-tail distributions of forces even at high compression rates, outperforming other subsampling methods. Furthermore, MLIPs trained on MSC-compressed datasets exhibit reduced error for out-of-distribution data even in low-data regimes. We explain these results using an outlier analysis and show that such quantitative conclusions could not be achieved with conventional dimensionality reduction methods. The algorithm is implemented in the open-source QUESTS package and can be used for several tasks in atomistic modeling, from data subsampling, outlier detection, and training improved MLIPs at a lower cost.

  • 3 authors
·
Nov 13, 2025

Enhancing Few-Shot Image Classification through Learnable Multi-Scale Embedding and Attention Mechanisms

In the context of few-shot classification, the goal is to train a classifier using a limited number of samples while maintaining satisfactory performance. However, traditional metric-based methods exhibit certain limitations in achieving this objective. These methods typically rely on a single distance value between the query feature and support feature, thereby overlooking the contribution of shallow features. To overcome this challenge, we propose a novel approach in this paper. Our approach involves utilizing a multi-output embedding network that maps samples into distinct feature spaces. The proposed method extracts feature vectors at different stages, enabling the model to capture both global and abstract features. By utilizing these diverse feature spaces, our model enhances its performance. Moreover, employing a self-attention mechanism improves the refinement of features at each stage, leading to even more robust representations and improved overall performance. Furthermore, assigning learnable weights to each stage significantly improved performance and results. We conducted comprehensive evaluations on the MiniImageNet and FC100 datasets, specifically in the 5-way 1-shot and 5-way 5-shot scenarios. Additionally, we performed cross-domain tasks across eight benchmark datasets, achieving high accuracy in the testing domains. These evaluations demonstrate the efficacy of our proposed method in comparison to state-of-the-art approaches. https://github.com/FatemehAskari/MSENet

  • 3 authors
·
Sep 12, 2024

TRACE: Thermal Recognition Attentive-Framework for CO2 Emissions from Livestock

Quantifying exhaled CO2 from free-roaming cattle is both a direct indicator of rumen metabolic state and a prerequisite for farm-scale carbon accounting, yet no existing system can deliver continuous, spatially resolved measurements without physical confinement or contact. We present TRACE (Thermal Recognition Attentive-Framework for CO2 Emissions from Livestock), the first unified framework to jointly address per-frame CO2 plume segmentation and clip-level emission flux classification from mid-wave infrared (MWIR) thermal video. TRACE contributes three domain-specific advances: a Thermal Gas-Aware Attention (TGAA) encoder that incorporates per-pixel gas intensity as a spatial supervisory signal to direct self-attention toward high-emission regions at each encoder stage; an Attention-based Temporal Fusion (ATF) module that captures breath-cycle dynamics through structured cross-frame attention for sequence-level flux classification; and a four-stage progressive training curriculum that couples both objectives while preventing gradient interference. Benchmarked against fifteen state-of-the-art models on the CO2 Farm Thermal Gas Dataset, TRACE achieves an mIoU of 0.998 and the best result on every segmentation and classification metric simultaneously, outperforming domain-specific gas segmenters with several times more parameters and surpassing all baselines in flux classification. Ablation studies confirm that each component is individually essential: gas-conditioned attention alone determines precise plume boundary localization, and temporal reasoning is indispensable for flux-level discrimination. TRACE establishes a practical path toward non-invasive, continuous, per-animal CO2 monitoring from overhead thermal cameras at commercial scale. Codes are available at https://github.com/taminulislam/trace.

baselab BASE Lab @ SIUC
·
Mar 26

CO2: Efficient Distributed Training with Full Communication-Computation Overlap

The fundamental success of large language models hinges upon the efficacious implementation of large-scale distributed training techniques. Nevertheless, building a vast, high-performance cluster featuring high-speed communication interconnectivity is prohibitively costly, and accessible only to prominent entities. In this work, we aim to lower this barrier and democratize large-scale training with limited bandwidth clusters. We propose a new approach called CO2 that introduces local-updating and asynchronous communication to the distributed data-parallel training, thereby facilitating the full overlap of COmunication with COmputation. CO2 is able to attain a high scalability even on extensive multi-node clusters constrained by very limited communication bandwidth. We further propose the staleness gap penalty and outer momentum clipping techniques together with CO2 to bolster its convergence and training stability. Besides, CO2 exhibits seamless integration with well-established ZeRO-series optimizers which mitigate memory consumption of model states with large model training. We also provide a mathematical proof of convergence, accompanied by the establishment of a stringent upper bound. Furthermore, we validate our findings through an extensive set of practical experiments encompassing a wide range of tasks in the fields of computer vision and natural language processing. These experiments serve to demonstrate the capabilities of CO2 in terms of convergence, generalization, and scalability when deployed across configurations comprising up to 128 A100 GPUs. The outcomes emphasize the outstanding capacity of CO2 to hugely improve scalability, no matter on clusters with 800Gbps RDMA or 80Gbps TCP/IP inter-node connections.

  • 8 authors
·
Jan 29, 2024

Echo-4o: Harnessing the Power of GPT-4o Synthetic Images for Improved Image Generation

Recently, GPT-4o has garnered significant attention for its strong performance in image generation, yet open-source models still lag behind. Several studies have explored distilling image data from GPT-4o to enhance open-source models, achieving notable progress. However, a key question remains: given that real-world image datasets already constitute a natural source of high-quality data, why should we use GPT-4o-generated synthetic data? In this work, we identify two key advantages of synthetic images. First, they can complement rare scenarios in real-world datasets, such as surreal fantasy or multi-reference image generation, which frequently occur in user queries. Second, they provide clean and controllable supervision. Real-world data often contains complex background noise and inherent misalignment between text descriptions and image content, whereas synthetic images offer pure backgrounds and long-tailed supervision signals, facilitating more accurate text-to-image alignment. Building on these insights, we introduce Echo-4o-Image, a 180K-scale synthetic dataset generated by GPT-4o, harnessing the power of synthetic image data to address blind spots in real-world coverage. Using this dataset, we fine-tune the unified multimodal generation baseline Bagel to obtain Echo-4o. In addition, we propose two new evaluation benchmarks for a more accurate and challenging assessment of image generation capabilities: GenEval++, which increases instruction complexity to mitigate score saturation, and Imagine-Bench, which focuses on evaluating both the understanding and generation of imaginative content. Echo-4o demonstrates strong performance across standard benchmarks. Moreover, applying Echo-4o-Image to other foundation models (e.g., OmniGen2, BLIP3-o) yields consistent performance gains across multiple metrics, highlighting the datasets strong transferability.

  • 12 authors
·
Aug 13, 2025 2

A Strategic Coordination Framework of Small LLMs Matches Large LLMs in Data Synthesis

While data synthesis and distillation are promising strategies to enhance small language models, current approaches heavily rely on Large Language Models (LLMs), which suffer from high computational costs, environmental inefficiency, and potential biases inherited from monolithic architectures. In contrast, smaller LLMs are more accessible and sustainable, but their individual capabilities often fall short in generating high-quality, diverse, and reliable data. Inspired by collaborative human processes (e.g., peer review), we propose a multiple small LLMs involved framework, GRA, that aggregates specialized roles across small LLMs to iterative refinement and quality control typically achieved by a single large LLM. In this collaborative framework, multiple small LLMs assume distinct roles-Generator, Reviewer, and Adjudicator-to simulate a peer-review-inspired data synthesis pipeline. The Generator proposes initial data samples, the Reviewer critiques their quality and diversity, and the Adjudicator resolves conflicts to finalize the output. By decomposing the synthesis process into specialized sub-tasks, collaborative small LLMs can achieve data-level parity with large LLM-based distillation. Through experiments across multiple benchmarks, we demonstrate that GRA-produced data matches or exceeds the quality of single large LLM outputs, e.g., Qwen-2.5-72B-Instruct. Our results challenge the necessity of monolithic large models for high-quality data synthesis, advocating instead for strategic coordination of smaller agents. Our datasets, models, and code are publicly available at https://github.com/GX-XinGao/GRA.

  • 8 authors
·
Apr 11, 2025 2

OpenDataArena: A Fair and Open Arena for Benchmarking Post-Training Dataset Value

The rapid evolution of Large Language Models (LLMs) is predicated on the quality and diversity of post-training datasets. However, a critical dichotomy persists: while models are rigorously benchmarked, the data fueling them remains a black box--characterized by opaque composition, uncertain provenance, and a lack of systematic evaluation. This opacity hinders reproducibility and obscures the causal link between data characteristics and model behaviors. To bridge this gap, we introduce OpenDataArena (ODA), a holistic and open platform designed to benchmark the intrinsic value of post-training data. ODA establishes a comprehensive ecosystem comprising four key pillars: (i) a unified training-evaluation pipeline that ensures fair, open comparisons across diverse models (e.g., Llama, Qwen) and domains; (ii) a multi-dimensional scoring framework that profiles data quality along tens of distinct axes; (iii) an interactive data lineage explorer to visualize dataset genealogy and dissect component sources; and (iv) a fully open-source toolkit for training, evaluation, and scoring to foster data research. Extensive experiments on ODA--covering over 120 training datasets across multiple domains on 22 benchmarks, validated by more than 600 training runs and 40 million processed data points--reveal non-trivial insights. Our analysis uncovers the inherent trade-offs between data complexity and task performance, identifies redundancy in popular benchmarks through lineage tracing, and maps the genealogical relationships across datasets. We release all results, tools, and configurations to democratize access to high-quality data evaluation. Rather than merely expanding a leaderboard, ODA envisions a shift from trial-and-error data curation to a principled science of Data-Centric AI, paving the way for rigorous studies on data mixing laws and the strategic composition of foundation models.

OpenDataArena OpenDataArena
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Dec 15, 2025 7

Towards Distribution-Agnostic Generalized Category Discovery

Data imbalance and open-ended distribution are two intrinsic characteristics of the real visual world. Though encouraging progress has been made in tackling each challenge separately, few works dedicated to combining them towards real-world scenarios. While several previous works have focused on classifying close-set samples and detecting open-set samples during testing, it's still essential to be able to classify unknown subjects as human beings. In this paper, we formally define a more realistic task as distribution-agnostic generalized category discovery (DA-GCD): generating fine-grained predictions for both close- and open-set classes in a long-tailed open-world setting. To tackle the challenging problem, we propose a Self-Balanced Co-Advice contrastive framework (BaCon), which consists of a contrastive-learning branch and a pseudo-labeling branch, working collaboratively to provide interactive supervision to resolve the DA-GCD task. In particular, the contrastive-learning branch provides reliable distribution estimation to regularize the predictions of the pseudo-labeling branch, which in turn guides contrastive learning through self-balanced knowledge transfer and a proposed novel contrastive loss. We compare BaCon with state-of-the-art methods from two closely related fields: imbalanced semi-supervised learning and generalized category discovery. The effectiveness of BaCon is demonstrated with superior performance over all baselines and comprehensive analysis across various datasets. Our code is publicly available.

  • 10 authors
·
Oct 2, 2023

AstroM^3: A self-supervised multimodal model for astronomy

While machine-learned models are now routinely employed to facilitate astronomical inquiry, model inputs tend to be limited to a primary data source (namely images or time series) and, in the more advanced approaches, some metadata. Yet with the growing use of wide-field, multiplexed observational resources, individual sources of interest often have a broad range of observational modes available. Here we construct an astronomical multimodal dataset and propose AstroM^3, a self-supervised pre-training approach that enables a model to learn from multiple modalities simultaneously. Specifically, we extend the CLIP (Contrastive Language-Image Pretraining) model to a trimodal setting, allowing the integration of time-series photometry data, spectra, and astrophysical metadata. In a fine-tuning supervised setting, our results demonstrate that CLIP pre-training improves classification performance for time-series photometry, where accuracy increases from 84.6% to 91.5%. Furthermore, CLIP boosts classification accuracy by up to 12.6% when the availability of labeled data is limited, showing the effectiveness of leveraging larger corpora of unlabeled data. In addition to fine-tuned classification, we can use the trained model in other downstream tasks that are not explicitly contemplated during the construction of the self-supervised model. In particular we show the efficacy of using the learned embeddings for misclassifications identification, similarity search, and anomaly detection. One surprising highlight is the "rediscovery" of Mira subtypes and two Rotational variable subclasses using manifold learning and dimension reduction algorithm. To our knowledge this is the first construction of an n>2 mode model in astronomy. Extensions to n>3 modes is naturally anticipated with this approach.

  • 2 authors
·
Nov 13, 2024

Linear Model Merging Unlocks Simple and Scalable Multimodal Data Mixture Optimization

Selecting the best data mixture is critical for successful Supervised Fine-Tuning (SFT) of Multimodal Large Language Models. However, determining the optimal mixture weights across multiple domain-specific datasets remains a significant bottleneck due to the combinatorial search space and the high cost associated with even a single training run. This is the so-called Data Mixture Optimization (DMO) problem. On the other hand, model merging unifies domain-specific experts through parameter interpolation. This strategy is efficient, as it only requires a single training run per domain, yet oftentimes leads to suboptimal models. In this work, we take the best of both worlds, studying model merging as an efficient strategy for estimating the performance of different data mixtures. We train domain-specific multimodal experts and evaluate their weighted parameter-space combinations to estimate the efficacy of corresponding data mixtures. We conduct extensive experiments on 14 multimodal benchmarks, and empirically demonstrate that the merged proxy models exhibit a high rank correlation with models trained on actual data mixtures. This decouples the search for optimal mixtures from the resource-intensive training process, thereby providing a scalable and efficient strategy for navigating the complex landscape of mixture weights. Code is publicly available at https://github.com/BerasiDavide/mLLMs_merging_4_DMO.

  • 4 authors
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Feb 4

DendroMap: Visual Exploration of Large-Scale Image Datasets for Machine Learning with Treemaps

In this paper, we present DendroMap, a novel approach to interactively exploring large-scale image datasets for machine learning (ML). ML practitioners often explore image datasets by generating a grid of images or projecting high-dimensional representations of images into 2-D using dimensionality reduction techniques (e.g., t-SNE). However, neither approach effectively scales to large datasets because images are ineffectively organized and interactions are insufficiently supported. To address these challenges, we develop DendroMap by adapting Treemaps, a well-known visualization technique. DendroMap effectively organizes images by extracting hierarchical cluster structures from high-dimensional representations of images. It enables users to make sense of the overall distributions of datasets and interactively zoom into specific areas of interests at multiple levels of abstraction. Our case studies with widely-used image datasets for deep learning demonstrate that users can discover insights about datasets and trained models by examining the diversity of images, identifying underperforming subgroups, and analyzing classification errors. We conducted a user study that evaluates the effectiveness of DendroMap in grouping and searching tasks by comparing it with a gridified version of t-SNE and found that participants preferred DendroMap. DendroMap is available at https://div-lab.github.io/dendromap/.

  • 7 authors
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May 13, 2022

Accurate Chemistry Collection: Coupled cluster atomization energies for broad chemical space

Accurate thermochemical data with sub-chemical accuracy (i.e., within pm1 kcal mol^{-1} from sufficiently accurate experimental or theoretical reference data) is essential for the development and improvement of computational chemistry methods. Challenging thermochemical properties such as heats of formation and total atomization energies (TAEs) are of particular interest because they rigorously test the ability of computational chemistry methods to accurately describe complex chemical transformations involving multiple bond rearrangements. Yet, existing thermochemical datasets that confidently reach this level of accuracy are limited in either size or scope. Datasets with highly accurate reference values include a small number of data points, and larger datasets provide less accurate data or only cover a narrow portion of the chemical space. The existing datasets are therefore insufficient for developing data-driven methods with predictive accuracy over a large chemical space. The Microsoft Research Accurate Chemistry Collection (MSR-ACC) will address this challenge. Here, it offers the MSR-ACC/TAE25 dataset of 76,879 total atomization energies obtained at the CCSD(T)/CBS level via the W1-F12 thermochemical protocol. The dataset is constructed to exhaustively cover chemical space for all elements up to argon by enumerating and sampling chemical graphs, thus avoiding bias towards any particular subspace of the chemical space (such as drug-like, organic, or experimentally observed molecules). With this first dataset in MSR-ACC, we enable data-driven approaches for developing predictive computational chemistry methods with unprecedented accuracy and scope.

microsoft Microsoft
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Jun 17, 2025

LAION-5B: An open large-scale dataset for training next generation image-text models

Groundbreaking language-vision architectures like CLIP and DALL-E proved the utility of training on large amounts of noisy image-text data, without relying on expensive accurate labels used in standard vision unimodal supervised learning. The resulting models showed capabilities of strong text-guided image generation and transfer to downstream tasks, while performing remarkably at zero-shot classification with noteworthy out-of-distribution robustness. Since then, large-scale language-vision models like ALIGN, BASIC, GLIDE, Flamingo and Imagen made further improvements. Studying the training and capabilities of such models requires datasets containing billions of image-text pairs. Until now, no datasets of this size have been made openly available for the broader research community. To address this problem and democratize research on large-scale multi-modal models, we present LAION-5B - a dataset consisting of 5.85 billion CLIP-filtered image-text pairs, of which 2.32B contain English language. We show successful replication and fine-tuning of foundational models like CLIP, GLIDE and Stable Diffusion using the dataset, and discuss further experiments enabled with an openly available dataset of this scale. Additionally we provide several nearest neighbor indices, an improved web-interface for dataset exploration and subset generation, and detection scores for watermark, NSFW, and toxic content detection. Announcement page https://laion.ai/laion-5b-a-new-era-of-open-large-scale-multi-modal-datasets/

  • 16 authors
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Oct 15, 2022

Open High-Resolution Satellite Imagery: The WorldStrat Dataset -- With Application to Super-Resolution

Analyzing the planet at scale with satellite imagery and machine learning is a dream that has been constantly hindered by the cost of difficult-to-access highly-representative high-resolution imagery. To remediate this, we introduce here the WorldStrat dataset. The largest and most varied such publicly available dataset, at Airbus SPOT 6/7 satellites' high resolution of up to 1.5 m/pixel, empowered by European Space Agency's Phi-Lab as part of the ESA-funded QueryPlanet project, we curate nearly 10,000 sqkm of unique locations to ensure stratified representation of all types of land-use across the world: from agriculture to ice caps, from forests to multiple urbanization densities. We also enrich those with locations typically under-represented in ML datasets: sites of humanitarian interest, illegal mining sites, and settlements of persons at risk. We temporally-match each high-resolution image with multiple low-resolution images from the freely accessible lower-resolution Sentinel-2 satellites at 10 m/pixel. We accompany this dataset with an open-source Python package to: rebuild or extend the WorldStrat dataset, train and infer baseline algorithms, and learn with abundant tutorials, all compatible with the popular EO-learn toolbox. We hereby hope to foster broad-spectrum applications of ML to satellite imagery, and possibly develop from free public low-resolution Sentinel2 imagery the same power of analysis allowed by costly private high-resolution imagery. We illustrate this specific point by training and releasing several highly compute-efficient baselines on the task of Multi-Frame Super-Resolution. High-resolution Airbus imagery is CC BY-NC, while the labels and Sentinel2 imagery are CC BY, and the source code and pre-trained models under BSD. The dataset is available at https://zenodo.org/record/6810791 and the software package at https://github.com/worldstrat/worldstrat .

  • 3 authors
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May 30, 2025

Revisiting Table Detection Datasets for Visually Rich Documents

Table Detection has become a fundamental task for visually rich document understanding with the surging number of electronic documents. However, popular public datasets widely used in related studies have inherent limitations, including noisy and inconsistent samples, limited training samples, and limited data sources. These limitations make these datasets unreliable to evaluate the model performance and cannot reflect the actual capacity of models. Therefore, this study revisits some open datasets with high-quality annotations, identifies and cleans the noise, and aligns the annotation definitions of these datasets to merge a larger dataset, termed Open-Tables. Moreover, to enrich the data sources, we propose a new ICT-TD dataset using the PDF files of Information and Communication Technologies (ICT) commodities, a different domain containing unique samples that hardly appear in open datasets. To ensure the label quality of the dataset, we annotated the dataset manually following the guidance of a domain expert. The proposed dataset is challenging and can be a sample of actual cases in the business context. We built strong baselines using various state-of-the-art object detection models. Our experimental results show that the domain differences among existing open datasets are minor despite having different data sources. Our proposed Open-Tables and ICT-TD can provide a more reliable evaluation for models because of their high quality and consistent annotations. Besides, they are more suitable for cross-domain settings. Our experimental results show that in the cross-domain setting, benchmark models trained with cleaned Open-Tables dataset can achieve 0.6\%-2.6\% higher weighted average F1 than the corresponding ones trained with the noisy version of Open-Tables, demonstrating the reliability of the proposed datasets. The datasets are public available.

  • 4 authors
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May 3, 2023

Group Reasoning Emission Estimation Networks

Accurate greenhouse gas (GHG) emission reporting is critical for governments, businesses, and investors. However, adoption remains limited particularly among small and medium enterprises due to high implementation costs, fragmented emission factor databases, and a lack of robust sector classification methods. To address these challenges, we introduce Group Reasoning Emission Estimation Networks (GREEN), an AI-driven carbon accounting framework that standardizes enterprise-level emission estimation, constructs a large-scale benchmark dataset, and leverages a novel reasoning approach with large language models (LLMs). Specifically, we compile textual descriptions for 20,850 companies with validated North American Industry Classification System (NAICS) labels and align these with an economic model of carbon intensity factors. By reframing sector classification as an information retrieval task, we fine-tune Sentence-BERT models using a contrastive learning loss. To overcome the limitations of single-stage models in handling thousands of hierarchical categories, we propose a Group Reasoning method that ensembles LLM classifiers based on the natural NAICS ontology, decomposing the task into multiple sub-classification steps. We theoretically prove that this approach reduces classification uncertainty and computational complexity. Experiments on 1,114 NAICS categories yield state-of-the-art performance (83.68% Top-1, 91.47% Top-10 accuracy), and case studies on 20 companies report a mean absolute percentage error (MAPE) of 45.88%. The project is available at: https://huggingface.co/datasets/Yvnminc/ExioNAICS.

  • 4 authors
·
Feb 8, 2025

Synthetic Dataset Evaluation Based on Generalized Cross Validation

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.

  • 6 authors
·
Sep 14, 2025

PCB-Vision: A Multiscene RGB-Hyperspectral Benchmark Dataset of Printed Circuit Boards

Addressing the critical theme of recycling electronic waste (E-waste), this contribution is dedicated to developing advanced automated data processing pipelines as a basis for decision-making and process control. Aligning with the broader goals of the circular economy and the United Nations (UN) Sustainable Development Goals (SDG), our work leverages non-invasive analysis methods utilizing RGB and hyperspectral imaging data to provide both quantitative and qualitative insights into the E-waste stream composition for optimizing recycling efficiency. In this paper, we introduce 'PCB-Vision'; a pioneering RGB-hyperspectral printed circuit board (PCB) benchmark dataset, comprising 53 RGB images of high spatial resolution paired with their corresponding high spectral resolution hyperspectral data cubes in the visible and near-infrared (VNIR) range. Grounded in open science principles, our dataset provides a comprehensive resource for researchers through high-quality ground truths, focusing on three primary PCB components: integrated circuits (IC), capacitors, and connectors. We provide extensive statistical investigations on the proposed dataset together with the performance of several state-of-the-art (SOTA) models, including U-Net, Attention U-Net, Residual U-Net, LinkNet, and DeepLabv3+. By openly sharing this multi-scene benchmark dataset along with the baseline codes, we hope to foster transparent, traceable, and comparable developments of advanced data processing across various scientific communities, including, but not limited to, computer vision and remote sensing. Emphasizing our commitment to supporting a collaborative and inclusive scientific community, all materials, including code, data, ground truth, and masks, will be accessible at https://github.com/hifexplo/PCBVision.

  • 6 authors
·
Jan 12, 2024

CLIMB: CLustering-based Iterative Data Mixture Bootstrapping for Language Model Pre-training

Pre-training datasets are typically collected from web content and lack inherent domain divisions. For instance, widely used datasets like Common Crawl do not include explicit domain labels, while manually curating labeled datasets such as The Pile is labor-intensive. Consequently, identifying an optimal pre-training data mixture remains a challenging problem, despite its significant benefits for pre-training performance. To address these challenges, we propose CLustering-based Iterative Data Mixture Bootstrapping (CLIMB), an automated framework that discovers, evaluates, and refines data mixtures in a pre-training setting. Specifically, CLIMB embeds and clusters large-scale datasets in a semantic space and then iteratively searches for optimal mixtures using a smaller proxy model and a predictor. When continuously trained on 400B tokens with this mixture, our 1B model exceeds the state-of-the-art Llama-3.2-1B by 2.0%. Moreover, we observe that optimizing for a specific domain (e.g., Social Sciences) yields a 5% improvement over random sampling. Finally, we introduce ClimbLab, a filtered 1.2-trillion-token corpus with 20 clusters as a research playground, and ClimbMix, a compact yet powerful 400-billion-token dataset designed for efficient pre-training that delivers superior performance under an equal token budget. We analyze the final data mixture, elucidating the characteristics of an optimal data mixture. Our data is available at: https://research.nvidia.com/labs/lpr/climb/

  • 15 authors
·
Apr 17, 2025 2

ClimateGPT: Towards AI Synthesizing Interdisciplinary Research on Climate Change

This paper introduces ClimateGPT, a model family of domain-specific large language models that synthesize interdisciplinary research on climate change. We trained two 7B models from scratch on a science-oriented dataset of 300B tokens. For the first model, the 4.2B domain-specific tokens were included during pre-training and the second was adapted to the climate domain after pre-training. Additionally, ClimateGPT-7B, 13B and 70B are continuously pre-trained from Llama~2 on a domain-specific dataset of 4.2B tokens. Each model is instruction fine-tuned on a high-quality and human-generated domain-specific dataset that has been created in close cooperation with climate scientists. To reduce the number of hallucinations, we optimize the model for retrieval augmentation and propose a hierarchical retrieval strategy. To increase the accessibility of our model to non-English speakers, we propose to make use of cascaded machine translation and show that this approach can perform comparably to natively multilingual models while being easier to scale to a large number of languages. Further, to address the intrinsic interdisciplinary aspect of climate change we consider different research perspectives. Therefore, the model can produce in-depth answers focusing on different perspectives in addition to an overall answer. We propose a suite of automatic climate-specific benchmarks to evaluate LLMs. On these benchmarks, ClimateGPT-7B performs on par with the ten times larger Llama-2-70B Chat model while not degrading results on general domain benchmarks. Our human evaluation confirms the trends we saw in our benchmarks. All models were trained and evaluated using renewable energy and are released publicly.

  • 26 authors
·
Jan 17, 2024 4

Upcycling Models under Domain and Category Shift

Deep neural networks (DNNs) often perform poorly in the presence of domain shift and category shift. How to upcycle DNNs and adapt them to the target task remains an important open problem. Unsupervised Domain Adaptation (UDA), especially recently proposed Source-free Domain Adaptation (SFDA), has become a promising technology to address this issue. Nevertheless, existing SFDA methods require that the source domain and target domain share the same label space, consequently being only applicable to the vanilla closed-set setting. In this paper, we take one step further and explore the Source-free Universal Domain Adaptation (SF-UniDA). The goal is to identify "known" data samples under both domain and category shift, and reject those "unknown" data samples (not present in source classes), with only the knowledge from standard pre-trained source model. To this end, we introduce an innovative global and local clustering learning technique (GLC). Specifically, we design a novel, adaptive one-vs-all global clustering algorithm to achieve the distinction across different target classes and introduce a local k-NN clustering strategy to alleviate negative transfer. We examine the superiority of our GLC on multiple benchmarks with different category shift scenarios, including partial-set, open-set, and open-partial-set DA. Remarkably, in the most challenging open-partial-set DA scenario, GLC outperforms UMAD by 14.8\% on the VisDA benchmark. The code is available at https://github.com/ispc-lab/GLC.

  • 7 authors
·
Mar 13, 2023

GMAI-VL & GMAI-VL-5.5M: A Large Vision-Language Model and A Comprehensive Multimodal Dataset Towards General Medical AI

Despite significant advancements in general artificial intelligence, such as GPT-4, their effectiveness in the medical domain (general medical AI, GMAI) remains constrained due to the absence of specialized medical knowledge. To address this challenge, we present GMAI-VL-5.5M, a comprehensive multimodal medical dataset created by converting hundreds of specialized medical datasets into meticulously constructed image-text pairs. This dataset features comprehensive task coverage, diverse modalities, and high-quality image-text data. Building upon this multimodal dataset, we propose GMAI-VL, a general medical vision-language model with a progressively three-stage training strategy. This approach significantly enhances the model's ability by integrating visual and textual information, thereby improving its ability to process multimodal data and support accurate diagnosis and clinical decision-making. Experimental evaluations demonstrate that GMAI-VL achieves state-of-the-art results across a wide range of multimodal medical tasks, such as visual question answering and medical image diagnosis. Our contributions include the development of the GMAI-VL-5.5M dataset, the introduction of the GMAI-VL model, and the establishment of new benchmarks in multiple medical domains. Code and dataset will be released at https://github.com/uni-medical/GMAI-VL.

  • 18 authors
·
Nov 21, 2024 2

Can AI Dream of Unseen Galaxies? Conditional Diffusion Model for Galaxy Morphology Augmentation

Observational astronomy relies on visual feature identification to detect critical astrophysical phenomena. While machine learning (ML) increasingly automates this process, models often struggle with generalization in large-scale surveys due to the limited representativeness of labeled datasets -- whether from simulations or human annotation -- a challenge pronounced for rare yet scientifically valuable objects. To address this, we propose a conditional diffusion model to synthesize realistic galaxy images for augmenting ML training data. Leveraging the Galaxy Zoo 2 dataset which contains visual feature -- galaxy image pairs from volunteer annotation, we demonstrate that our model generates diverse, high-fidelity galaxy images closely adhere to the specified morphological feature conditions. Moreover, this model enables generative extrapolation to project well-annotated data into unseen domains and advancing rare object detection. Integrating synthesized images into ML pipelines improves performance in standard morphology classification, boosting completeness and purity by up to 30\% across key metrics. For rare object detection, using early-type galaxies with prominent dust lane features ( sim0.1\% in GZ2 dataset) as a test case, our approach doubled the number of detected instances from 352 to 872, compared to previous studies based on visual inspection. This study highlights the power of generative models to bridge gaps between scarce labeled data and the vast, uncharted parameter space of observational astronomy and sheds insight for future astrophysical foundation model developments. Our project homepage is available at https://galaxysd-webpage.streamlit.app/.

  • 7 authors
·
Jun 19, 2025

Galaxy Spectra neural Networks (GaSNets). I. Searching for strong lens candidates in eBOSS spectra using Deep Learning

With the advent of new spectroscopic surveys from ground and space, observing up to hundreds of millions of galaxies, spectra classification will become overwhelming for standard analysis techniques. To prepare for this challenge, we introduce a family of deep learning tools to classify features in one-dimensional spectra. As the first application of these Galaxy Spectra neural Networks (GaSNets), we focus on tools specialized at identifying emission lines from strongly lensed star-forming galaxies in the eBOSS spectra. We first discuss the training and testing of these networks and define a threshold probability, PL, of 95% for the high quality event detection. Then, using a previous set of spectroscopically selected strong lenses from eBOSS, confirmed with HST, we estimate a completeness of ~80% as the fraction of lenses recovered above the adopted PL. We finally apply the GaSNets to ~1.3M spectra to collect a first list of ~430 new high quality candidates identified with deep learning applied to spectroscopy and visually graded as highly probable real events. A preliminary check against ground-based observations tentatively shows that this sample has a confirmation rate of 38%, in line with previous samples selected with standard (no deep learning) classification tools and follow-up by Hubble Space Telescope. This first test shows that machine learning can be efficiently extended to feature recognition in the wavelength space, which will be crucial for future surveys like 4MOST, DESI, Euclid, and the Chinese Space Station Telescope (CSST).

  • 3 authors
·
Feb 16, 2022

Google Landmarks Dataset v2 -- A Large-Scale Benchmark for Instance-Level Recognition and Retrieval

While image retrieval and instance recognition techniques are progressing rapidly, there is a need for challenging datasets to accurately measure their performance -- while posing novel challenges that are relevant for practical applications. We introduce the Google Landmarks Dataset v2 (GLDv2), a new benchmark for large-scale, fine-grained instance recognition and image retrieval in the domain of human-made and natural landmarks. GLDv2 is the largest such dataset to date by a large margin, including over 5M images and 200k distinct instance labels. Its test set consists of 118k images with ground truth annotations for both the retrieval and recognition tasks. The ground truth construction involved over 800 hours of human annotator work. Our new dataset has several challenging properties inspired by real world applications that previous datasets did not consider: An extremely long-tailed class distribution, a large fraction of out-of-domain test photos and large intra-class variability. The dataset is sourced from Wikimedia Commons, the world's largest crowdsourced collection of landmark photos. We provide baseline results for both recognition and retrieval tasks based on state-of-the-art methods as well as competitive results from a public challenge. We further demonstrate the suitability of the dataset for transfer learning by showing that image embeddings trained on it achieve competitive retrieval performance on independent datasets. The dataset images, ground-truth and metric scoring code are available at https://github.com/cvdfoundation/google-landmark.

  • 4 authors
·
Apr 3, 2020

Datasets for Large Language Models: A Comprehensive Survey

This paper embarks on an exploration into the Large Language Model (LLM) datasets, which play a crucial role in the remarkable advancements of LLMs. The datasets serve as the foundational infrastructure analogous to a root system that sustains and nurtures the development of LLMs. Consequently, examination of these datasets emerges as a critical topic in research. In order to address the current lack of a comprehensive overview and thorough analysis of LLM datasets, and to gain insights into their current status and future trends, this survey consolidates and categorizes the fundamental aspects of LLM datasets from five perspectives: (1) Pre-training Corpora; (2) Instruction Fine-tuning Datasets; (3) Preference Datasets; (4) Evaluation Datasets; (5) Traditional Natural Language Processing (NLP) Datasets. The survey sheds light on the prevailing challenges and points out potential avenues for future investigation. Additionally, a comprehensive review of the existing available dataset resources is also provided, including statistics from 444 datasets, covering 8 language categories and spanning 32 domains. Information from 20 dimensions is incorporated into the dataset statistics. The total data size surveyed surpasses 774.5 TB for pre-training corpora and 700M instances for other datasets. We aim to present the entire landscape of LLM text datasets, serving as a comprehensive reference for researchers in this field and contributing to future studies. Related resources are available at: https://github.com/lmmlzn/Awesome-LLMs-Datasets.

  • 5 authors
·
Feb 27, 2024 1

Genie Sim 3.0 : A High-Fidelity Comprehensive Simulation Platform for Humanoid Robot

The development of robust and generalizable robot learning models is critically contingent upon the availability of large-scale, diverse training data and reliable evaluation benchmarks. Collecting data in the physical world poses prohibitive costs and scalability challenges, and prevailing simulation benchmarks frequently suffer from fragmentation, narrow scope, or insufficient fidelity to enable effective sim-to-real transfer. To address these challenges, we introduce Genie Sim 3.0, a unified simulation platform for robotic manipulation. We present Genie Sim Generator, a large language model (LLM)-powered tool that constructs high-fidelity scenes from natural language instructions. Its principal strength resides in rapid and multi-dimensional generalization, facilitating the synthesis of diverse environments to support scalable data collection and robust policy evaluation. We introduce the first benchmark that pioneers the application of LLM for automated evaluation. It leverages LLM to mass-generate evaluation scenarios and employs Vision-Language Model (VLM) to establish an automated assessment pipeline. We also release an open-source dataset comprising more than 10,000 hours of synthetic data across over 200 tasks. Through systematic experimentation, we validate the robust zero-shot sim-to-real transfer capability of our open-source dataset, demonstrating that synthetic data can server as an effective substitute for real-world data under controlled conditions for scalable policy training. For code and dataset details, please refer to: https://github.com/AgibotTech/genie_sim.

  • 19 authors
·
Jan 5

Solving the Catastrophic Forgetting Problem in Generalized Category Discovery

Generalized Category Discovery (GCD) aims to identify a mix of known and novel categories within unlabeled data sets, providing a more realistic setting for image recognition. Essentially, GCD needs to remember existing patterns thoroughly to recognize novel categories. Recent state-of-the-art method SimGCD transfers the knowledge from known-class data to the learning of novel classes through debiased learning. However, some patterns are catastrophically forgot during adaptation and thus lead to poor performance in novel categories classification. To address this issue, we propose a novel learning approach, LegoGCD, which is seamlessly integrated into previous methods to enhance the discrimination of novel classes while maintaining performance on previously encountered known classes. Specifically, we design two types of techniques termed as Local Entropy Regularization (LER) and Dual-views Kullback Leibler divergence constraint (DKL). The LER optimizes the distribution of potential known class samples in unlabeled data, thus ensuring the preservation of knowledge related to known categories while learning novel classes. Meanwhile, DKL introduces Kullback Leibler divergence to encourage the model to produce a similar prediction distribution of two view samples from the same image. In this way, it successfully avoids mismatched prediction and generates more reliable potential known class samples simultaneously. Extensive experiments validate that the proposed LegoGCD effectively addresses the known category forgetting issue across all datasets, eg, delivering a 7.74% and 2.51% accuracy boost on known and novel classes in CUB, respectively. Our code is available at: https://github.com/Cliffia123/LegoGCD.

  • 8 authors
·
Jan 9, 2025

TarGEN: Targeted Data Generation with Large Language Models

The rapid advancement of large language models (LLMs) has sparked interest in data synthesis techniques, aiming to generate diverse and high-quality synthetic datasets. However, these synthetic datasets often suffer from a lack of diversity and added noise. In this paper, we present TarGEN, a multi-step prompting strategy for generating high-quality synthetic datasets utilizing a LLM. An advantage of TarGEN is its seedless nature; it does not require specific task instances, broadening its applicability beyond task replication. We augment TarGEN with a method known as self-correction empowering LLMs to rectify inaccurately labeled instances during dataset creation, ensuring reliable labels. To assess our technique's effectiveness, we emulate 8 tasks from the SuperGLUE benchmark and finetune various language models, including encoder-only, encoder-decoder, and decoder-only models on both synthetic and original training sets. Evaluation on the original test set reveals that models trained on datasets generated by TarGEN perform approximately 1-2% points better than those trained on original datasets (82.84% via syn. vs. 81.12% on og. using Flan-T5). When incorporating instruction tuning, the performance increases to 84.54% on synthetic data vs. 81.49% on original data by Flan-T5. A comprehensive analysis of the synthetic dataset compared to the original dataset reveals that the synthetic dataset demonstrates similar or higher levels of dataset complexity and diversity. Furthermore, the synthetic dataset displays a bias level that aligns closely with the original dataset. Finally, when pre-finetuned on our synthetic SuperGLUE dataset, T5-3B yields impressive results on the OpenLLM leaderboard, surpassing the model trained on the Self-Instruct dataset by 4.14% points. We hope that TarGEN can be helpful for quality data generation and reducing the human efforts to create complex benchmarks.

  • 8 authors
·
Oct 26, 2023 2

GPT-ImgEval: A Comprehensive Benchmark for Diagnosing GPT4o in Image Generation

The recent breakthroughs in OpenAI's GPT4o model have demonstrated surprisingly good capabilities in image generation and editing, resulting in significant excitement in the community. This technical report presents the first-look evaluation benchmark (named GPT-ImgEval), quantitatively and qualitatively diagnosing GPT-4o's performance across three critical dimensions: (1) generation quality, (2) editing proficiency, and (3) world knowledge-informed semantic synthesis. Across all three tasks, GPT-4o demonstrates strong performance, significantly surpassing existing methods in both image generation control and output quality, while also showcasing exceptional knowledge reasoning capabilities. Furthermore, based on the GPT-4o's generated data, we propose a classification-model-based approach to investigate the underlying architecture of GPT-4o, where our empirical results suggest the model consists of an auto-regressive (AR) combined with a diffusion-based head for image decoding, rather than the VAR-like architectures. We also provide a complete speculation on GPT-4o's overall architecture. In addition, we conduct a series of analyses to identify and visualize GPT-4o's specific limitations and the synthetic artifacts commonly observed in its image generation. We also present a comparative study of multi-round image editing between GPT-4o and Gemini 2.0 Flash, and discuss the safety implications of GPT-4o's outputs, particularly their detectability by existing image forensic models. We hope that our work can offer valuable insight and provide a reliable benchmark to guide future research, foster reproducibility, and accelerate innovation in the field of image generation and beyond. The codes and datasets used for evaluating GPT-4o can be found at https://github.com/PicoTrex/GPT-ImgEval.

  • 10 authors
·
Apr 3, 2025 3

SAGA: Semantic-Aware Gray color Augmentation for Visible-to-Thermal Domain Adaptation across Multi-View Drone and Ground-Based Vision Systems

Domain-adaptive thermal object detection plays a key role in facilitating visible (RGB)-to-thermal (IR) adaptation by reducing the need for co-registered image pairs and minimizing reliance on large annotated IR datasets. However, inherent limitations of IR images, such as the lack of color and texture cues, pose challenges for RGB-trained models, leading to increased false positives and poor-quality pseudo-labels. To address this, we propose Semantic-Aware Gray color Augmentation (SAGA), a novel strategy for mitigating color bias and bridging the domain gap by extracting object-level features relevant to IR images. Additionally, to validate the proposed SAGA for drone imagery, we introduce the IndraEye, a multi-sensor (RGB-IR) dataset designed for diverse applications. The dataset contains 5,612 images with 145,666 instances, captured from diverse angles, altitudes, backgrounds, and times of day, offering valuable opportunities for multimodal learning, domain adaptation for object detection and segmentation, and exploration of sensor-specific strengths and weaknesses. IndraEye aims to enhance the development of more robust and accurate aerial perception systems, especially in challenging environments. Experimental results show that SAGA significantly improves RGB-to-IR adaptation for autonomous driving and IndraEye dataset, achieving consistent performance gains of +0.4% to +7.6% (mAP) when integrated with state-of-the-art domain adaptation techniques. The dataset and codes are available at https://github.com/airliisc/IndraEye.

  • 5 authors
·
Apr 22, 2025

OmniCorpus: A Unified Multimodal Corpus of 10 Billion-Level Images Interleaved with Text

Image-text interleaved data, consisting of multiple images and texts arranged in a natural document format, aligns with the presentation paradigm of internet data and closely resembles human reading habits. Recent studies have shown that such data aids multimodal in-context learning and maintains the capabilities of large language models during multimodal fine-tuning. However, the limited scale and diversity of current image-text interleaved data restrict the development of multimodal large language models. In this paper, we introduce OmniCorpus, a 10 billion-scale image-text interleaved dataset. Using an efficient data engine, we filter and extract large-scale high-quality documents, which contain 8.6 billion images and 1,696 billion text tokens. Compared to counterparts (e.g., MMC4, OBELICS), our dataset 1) has 15 times larger scales while maintaining good data quality; 2) features more diverse sources, including both English and non-English websites as well as video-centric websites; 3) is more flexible, easily degradable from an image-text interleaved format to pure text corpus and image-text pairs. Through comprehensive analysis and experiments, we validate the quality, usability, and effectiveness of the proposed dataset. We hope this could provide a solid data foundation for future multimodal model research. Code and data are released at https://github.com/OpenGVLab/OmniCorpus.

  • 40 authors
·
Jun 12, 2024 3

Building a Family of Data Augmentation Models for Low-cost LLM Fine-tuning on the Cloud

Specializing LLMs in various domain-specific tasks has emerged as a critical step towards achieving high performance. However, the construction and annotation of datasets in specific domains are always very costly. Apart from using superior and expensive closed-source LLM APIs to construct datasets, some open-source models have become strong enough to handle dataset construction in many scenarios. Thus, we present a family of data augmentation models designed to significantly improve the efficiency for model fine-tuning. These models, trained based on sufficiently small LLMs, support key functionalities with low inference costs: instruction expansion, instruction refinement, and instruction-response pair expansion. To fulfill this goal, we first construct an automatic data collection system with seed datasets generated from both public repositories and our in-house datasets. This system leverages powerful LLMs to expand, refine and re-write the instructions and responses, incorporating quality assessment techniques. Following this, we introduce the training process of our models, which effectively distills task-solving and text synthesis abilities from teacher LLMs. Finally, we demonstrate how we integrate these functionalities into a machine learning platform to support low-cost LLM fine-tuning from both dataset preparation and training perspectives for users. Experiments and an application study prove the effectiveness of our approach.

  • 4 authors
·
Dec 6, 2024

Real-Time Prediction of Gas Flow Dynamics in Diesel Engines using a Deep Neural Operator Framework

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.

  • 4 authors
·
Apr 2, 2023

HyperspectralViTs: General Hyperspectral Models for On-board Remote Sensing

On-board processing of hyperspectral data with machine learning models would enable unprecedented amount of autonomy for a wide range of tasks, for example methane detection or mineral identification. This can enable early warning system and could allow new capabilities such as automated scheduling across constellations of satellites. Classical methods suffer from high false positive rates and previous deep learning models exhibit prohibitive computational requirements. We propose fast and accurate machine learning architectures which support end-to-end training with data of high spectral dimension without relying on hand-crafted products or spectral band compression preprocessing. We evaluate our models on two tasks related to hyperspectral data processing. With our proposed general architectures, we improve the F1 score of the previous methane detection state-of-the-art models by 27% on a newly created synthetic dataset and by 13% on the previously released large benchmark dataset. We also demonstrate that training models on the synthetic dataset improves performance of models finetuned on the dataset of real events by 6.9% in F1 score in contrast with training from scratch. On a newly created dataset for mineral identification, our models provide 3.5% improvement in the F1 score in contrast to the default versions of the models. With our proposed models we improve the inference speed by 85% in contrast to previous classical and deep learning approaches by removing the dependency on classically computed features. With our architecture, one capture from the EMIT sensor can be processed within 30 seconds on realistic proxy of the ION-SCV 004 satellite.

  • 2 authors
·
Oct 22, 2024

IndraEye: Infrared Electro-Optical UAV-based Perception Dataset for Robust Downstream Tasks

Deep neural networks (DNNs) have shown exceptional performance when trained on well-illuminated images captured by Electro-Optical (EO) cameras, which provide rich texture details. However, in critical applications like aerial perception, it is essential for DNNs to maintain consistent reliability across all conditions, including low-light scenarios where EO cameras often struggle to capture sufficient detail. Additionally, UAV-based aerial object detection faces significant challenges due to scale variability from varying altitudes and slant angles, adding another layer of complexity. Existing methods typically address only illumination changes or style variations as domain shifts, but in aerial perception, correlation shifts also impact DNN performance. In this paper, we introduce the IndraEye dataset, a multi-sensor (EO-IR) dataset designed for various tasks. It includes 5,612 images with 145,666 instances, encompassing multiple viewing angles, altitudes, seven backgrounds, and different times of the day across the Indian subcontinent. The dataset opens up several research opportunities, such as multimodal learning, domain adaptation for object detection and segmentation, and exploration of sensor-specific strengths and weaknesses. IndraEye aims to advance the field by supporting the development of more robust and accurate aerial perception systems, particularly in challenging conditions. IndraEye dataset is benchmarked with object detection and semantic segmentation tasks. Dataset and source codes are available at https://bit.ly/indraeye.

  • 7 authors
·
Oct 28, 2024

Data Factors for Better Compositional Generalization

Recent diagnostic datasets on compositional generalization, such as SCAN (Lake and Baroni, 2018) and COGS (Kim and Linzen, 2020), expose severe problems in models trained from scratch on these datasets. However, in contrast to this poor performance, state-of-the-art models trained on larger and more general datasets show better generalization ability. In this work, to reconcile this inconsistency, we conduct an empirical analysis by training Transformer models on a variety of training sets with different data factors, including dataset scale, pattern complexity, example difficulty, etc. First, we show that increased dataset complexity can lead to better generalization behavior on multiple different generalization challenges. To further understand this improvement, we show two axes of the benefit from more complex datasets: they provide more diverse examples so compositional understanding becomes more effective, and they also prevent ungeneralizable memorization of the examples due to reduced example repetition frequency. Finally, we explore how training examples of different difficulty levels influence generalization differently. On synthetic datasets, simple examples invoke stronger compositionality than hard examples do. On larger-scale real language datasets, while hard examples become more important potentially to ensure decent data coverage, a balanced mixture of simple and hard examples manages to induce the strongest generalizability. The code and data for this work are available at https://github.com/owenzx/data4comp

  • 3 authors
·
Nov 7, 2023

Let's Go Shopping (LGS) -- Web-Scale Image-Text Dataset for Visual Concept Understanding

Vision and vision-language applications of neural networks, such as image classification and captioning, rely on large-scale annotated datasets that require non-trivial data-collecting processes. This time-consuming endeavor hinders the emergence of large-scale datasets, limiting researchers and practitioners to a small number of choices. Therefore, we seek more efficient ways to collect and annotate images. Previous initiatives have gathered captions from HTML alt-texts and crawled social media postings, but these data sources suffer from noise, sparsity, or subjectivity. For this reason, we turn to commercial shopping websites whose data meet three criteria: cleanliness, informativeness, and fluency. We introduce the Let's Go Shopping (LGS) dataset, a large-scale public dataset with 15 million image-caption pairs from publicly available e-commerce websites. When compared with existing general-domain datasets, the LGS images focus on the foreground object and have less complex backgrounds. Our experiments on LGS show that the classifiers trained on existing benchmark datasets do not readily generalize to e-commerce data, while specific self-supervised visual feature extractors can better generalize. Furthermore, LGS's high-quality e-commerce-focused images and bimodal nature make it advantageous for vision-language bi-modal tasks: LGS enables image-captioning models to generate richer captions and helps text-to-image generation models achieve e-commerce style transfer.

  • 13 authors
·
Jan 9, 2024 4

RedPajama: an Open Dataset for Training Large Language Models

Large language models are increasingly becoming a cornerstone technology in artificial intelligence, the sciences, and society as a whole, yet the optimal strategies for dataset composition and filtering remain largely elusive. Many of the top-performing models lack transparency in their dataset curation and model development processes, posing an obstacle to the development of fully open language models. In this paper, we identify three core data-related challenges that must be addressed to advance open-source language models. These include (1) transparency in model development, including the data curation process, (2) access to large quantities of high-quality data, and (3) availability of artifacts and metadata for dataset curation and analysis. To address these challenges, we release RedPajama-V1, an open reproduction of the LLaMA training dataset. In addition, we release RedPajama-V2, a massive web-only dataset consisting of raw, unfiltered text data together with quality signals and metadata. Together, the RedPajama datasets comprise over 100 trillion tokens spanning multiple domains and with their quality signals facilitate the filtering of data, aiming to inspire the development of numerous new datasets. To date, these datasets have already been used in the training of strong language models used in production, such as Snowflake Arctic, Salesforce's XGen and AI2's OLMo. To provide insight into the quality of RedPajama, we present a series of analyses and ablation studies with decoder-only language models with up to 1.6B parameters. Our findings demonstrate how quality signals for web data can be effectively leveraged to curate high-quality subsets of the dataset, underscoring the potential of RedPajama to advance the development of transparent and high-performing language models at scale.

  • 19 authors
·
Nov 19, 2024 3

INDUS: Effective and Efficient Language Models for Scientific Applications

Large language models (LLMs) trained on general domain corpora showed remarkable results on natural language processing (NLP) tasks. However, previous research demonstrated LLMs trained using domain-focused corpora perform better on specialized tasks. Inspired by this pivotal insight, we developed INDUS, a comprehensive suite of LLMs tailored for the Earth science, biology, physics, heliophysics, planetary sciences and astrophysics domains and trained using curated scientific corpora drawn from diverse data sources. The suite of models include: (1) an encoder model trained using domain-specific vocabulary and corpora to address natural language understanding tasks, (2) a contrastive-learning-based general text embedding model trained using a diverse set of datasets drawn from multiple sources to address information retrieval tasks and (3) smaller versions of these models created using knowledge distillation techniques to address applications which have latency or resource constraints. We also created three new scientific benchmark datasets namely, CLIMATE-CHANGE-NER (entity-recognition), NASA-QA (extractive QA) and NASA-IR (IR) to accelerate research in these multi-disciplinary fields. Finally, we show that our models outperform both general-purpose encoders (RoBERTa) and existing domain-specific encoders (SciBERT) on these new tasks as well as existing benchmark tasks in the domains of interest.

  • 34 authors
·
May 17, 2024 1

RS5M and GeoRSCLIP: A Large Scale Vision-Language Dataset and A Large Vision-Language Model for Remote Sensing

Pre-trained Vision-Language Models (VLMs) utilizing extensive image-text paired data have demonstrated unprecedented image-text association capabilities, achieving remarkable results across various downstream tasks. A critical challenge is how to make use of existing large-scale pre-trained VLMs, which are trained on common objects, to perform the domain-specific transfer for accomplishing domain-related downstream tasks. A critical challenge is how to make use of existing large-scale pre-trained VLMs, which are trained on common objects, to perform the domain-specific transfer for accomplishing domain-related downstream tasks. In this paper, we propose a new framework that includes the Domain pre-trained Vision-Language Model (DVLM), bridging the gap between the General Vision-Language Model (GVLM) and domain-specific downstream tasks. Moreover, we present an image-text paired dataset in the field of remote sensing (RS), RS5M, which has 5 million RS images with English descriptions. The dataset is obtained from filtering publicly available image-text paired datasets and captioning label-only RS datasets with pre-trained VLM. These constitute the first large-scale RS image-text paired dataset. Additionally, we fine-tuned the CLIP model and tried several Parameter-Efficient Fine-Tuning methods on RS5M to implement the DVLM. Experimental results show that our proposed dataset is highly effective for various tasks, and our model GeoRSCLIP improves upon the baseline or previous state-of-the-art model by 3%sim20% in Zero-shot Classification (ZSC), 3%sim6% in Remote Sensing Cross-Modal Text-Image Retrieval (RSCTIR) and 4%sim5% in Semantic Localization (SeLo) tasks. Dataset and models have been released in: https://github.com/om-ai-lab/RS5M.

  • 4 authors
·
Jun 20, 2023

SpecCLIP: Aligning and Translating Spectroscopic Measurements for Stars

In recent years, large language models (LLMs) have transformed natural language understanding through vast datasets and large-scale parameterization. Inspired by this success, we present SpecCLIP, a foundation model framework that extends LLM-inspired methodologies to stellar spectral analysis. Stellar spectra, akin to structured language, encode rich physical and chemical information about stars. By training foundation models on large-scale spectral datasets, our goal is to learn robust and informative embeddings that support diverse downstream applications. As a proof of concept, SpecCLIP involves pre-training on two spectral types--LAMOST low-resolution and Gaia XP--followed by contrastive alignment using the CLIP (Contrastive Language-Image Pre-training) framework, adapted to associate spectra from different instruments. This alignment is complemented by auxiliary decoders that preserve spectrum-specific information and enable translation (prediction) between spectral types, with the former achieved by maximizing mutual information between embeddings and input spectra. The result is a cross-spectrum framework enabling intrinsic calibration and flexible applications across instruments. We demonstrate that fine-tuning these models on moderate-sized labeled datasets improves adaptability to tasks such as stellar-parameter estimation and chemical-abundance determination. SpecCLIP also enhances the accuracy and precision of parameter estimates benchmarked against external survey data. Additionally, its similarity search and cross-spectrum prediction capabilities offer potential for anomaly detection. Our results suggest that contrastively trained foundation models enriched with spectrum-aware decoders can advance precision stellar spectroscopy.

  • 9 authors
·
Jul 2, 2025

GAIA: A Global, Multi-modal, Multi-scale Vision-Language Dataset for Remote Sensing Image Analysis

The continuous operation of Earth-orbiting satellites generates vast and ever-growing archives of Remote Sensing (RS) images. Natural language presents an intuitive interface for accessing, querying, and interpreting the data from such archives. However, existing Vision-Language Models (VLMs) are predominantly trained on web-scraped, noisy image-text data, exhibiting limited exposure to the specialized domain of RS. This deficiency results in poor performance on RS-specific tasks, as commonly used datasets often lack detailed, scientifically accurate textual descriptions and instead emphasize solely on attributes like date and location. To bridge this critical gap, we introduce GAIA, a novel dataset designed for multi-scale, multi-sensor, and multi-modal RS image analysis. GAIA comprises of 205,150 meticulously curated RS image-text pairs, representing a diverse range of RS modalities associated to different spatial resolutions. Unlike existing vision-language datasets in RS, GAIA specifically focuses on capturing a diverse range of RS applications, providing unique information about environmental changes, natural disasters, and various other dynamic phenomena. The dataset provides a spatially and temporally balanced distribution, spanning across the globe, covering the last 25 years with a balanced temporal distribution of observations. GAIA's construction involved a two-stage process: (1) targeted web-scraping of images and accompanying text from reputable RS-related sources, and (2) generation of five high-quality, scientifically grounded synthetic captions for each image using carefully crafted prompts that leverage the advanced vision-language capabilities of GPT-4o. Our extensive experiments, including fine-tuning of CLIP and BLIP2 models, demonstrate that GAIA significantly improves performance on RS image classification, cross-modal retrieval and image captioning tasks.

  • 5 authors
·
Feb 13, 2025

Decouple Searching from Training: Scaling Data Mixing via Model Merging for Large Language Model Pre-training

Determining an effective data mixture is a key factor in Large Language Model (LLM) pre-training, where models must balance general competence with proficiency on hard tasks such as math and code. However, identifying an optimal mixture remains an open challenge, as existing approaches either rely on unreliable tiny-scale proxy experiments or require prohibitively expensive large-scale exploration. To address this, we propose Decouple Searching from Training Mix (DeMix), a novel framework that leverages model merging to predict optimal data ratios. Instead of training proxy models for every sampled mixture, DeMix trains component models on candidate datasets at scale and derives data mixture proxies via weighted model merging. This paradigm decouples search from training costs, enabling evaluation of unlimited sampled mixtures without extra training burden and thus facilitating better mixture discovery through more search trials. Extensive experiments demonstrate that DeMix breaks the trade-off between sufficiency, accuracy and efficiency, obtaining the optimal mixture with higher benchmark performance at lower search cost. Additionally, we release the DeMix Corpora, a comprehensive 22T-token dataset comprising high-quality pre-training data with validated mixtures to facilitate open research. Our code and DeMix Corpora is available at https://github.com/Lucius-lsr/DeMix.

  • 9 authors
·
Jan 31 3