Daily Papers

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.

Conventional semiconductor-based integrated circuits are gradually approaching fundamental scaling limits. Many prospective solutions have recently emerged to supplement or replace both the technology on which basic devices are built and the architecture of data processing. Neuromorphic circuits are a promising approach to computing where techniques used by the brain to achieve high efficiency are exploited. Many existing neuromorphic circuits rely on unconventional and useful properties of novel technologies to better mimic the operation of the brain. One such technology is single flux quantum (SFQ) logic -- a cryogenic superconductive technology in which the data are represented by quanta of magnetic flux (fluxons) produced and processed by Josephson junctions embedded within inductive loops. The movement of a fluxon within a circuit produces a quantized voltage pulse (SFQ pulse), resembling a neuronal spiking event. These circuits routinely operate at clock frequencies of tens to hundreds of gigahertz, making SFQ a natural technology for processing high frequency pulse trains. Prior proposals for SFQ neural networks often require energy-expensive fluxon conversions, involve heterogeneous technologies, or exclusively focus on device level behavior. In this paper, a design methodology for deep single flux quantum neuromorphic networks is presented. Synaptic and neuronal circuits based on SFQ technology are presented and characterized. Based on these primitives, a deep neuromorphic XOR network is evaluated as a case study, both at the architectural and circuit levels, achieving wide classification margins. The proposed methodology does not employ unconventional superconductive devices or semiconductor transistors. The resulting networks are tunable by an external current, making this proposed system an effective approach for scalable cryogenic neuromorphic computing.

We present ExoMiner++, an enhanced deep learning model that builds on the success of ExoMiner to improve transit signal classification in 2-minute TESS data. ExoMiner++ incorporates additional diagnostic inputs, including periodogram, flux trend, difference image, unfolded flux, and spacecraft attitude control data, all of which are crucial for effectively distinguishing transit signals from more challenging sources of false positives. To further enhance performance, we leverage transfer learning from high-quality labeled data from the Kepler space telescope, mitigating the impact of TESS's noisier and more ambiguous labels. ExoMiner++ achieves high accuracy across various classification and ranking metrics, significantly narrowing the search space for follow-up investigations to confirm new planets. To serve the exoplanet community, we introduce new TESS catalogs containing ExoMiner++ classifications and confidence scores for each transit signal. Among the 147,568 unlabeled TCEs, ExoMiner++ identifies 7,330 as planet candidates, with the remainder classified as false positives. These 7,330 planet candidates correspond to 1,868 existing TESS Objects of Interest (TOIs), 69 Community TESS Objects of Interest (CTOIs), and 50 newly introduced CTOIs. 1,797 out of the 2,506 TOIs previously labeled as planet candidates in ExoFOP are classified as planet candidates by ExoMiner++. This reduction in plausible candidates combined with the excellent ranking quality of ExoMiner++ allows the follow-up efforts to be focused on the most likely candidates, increasing the overall planet yield.

Modern-day time-domain photometric surveys collect a lot of observations of various astronomical objects and the coming era of large-scale surveys will provide even more information on their properties. Spectroscopic follow-ups are especially crucial for transients such as supernovae and most of these objects have not been subject to such studies. }{Flux time series are actively used as an affordable alternative for photometric classification and characterization, for instance, peak identifications and luminosity decline estimations. However, the collected time series are multidimensional and irregularly sampled, while also containing outliers and without any well-defined systematic uncertainties. This paper presents a search for the best-performing methods to approximate the observed light curves over time and wavelength for the purpose of generating time series with regular time steps in each passband.}{We examined several light curve approximation methods based on neural networks such as multilayer perceptrons, Bayesian neural networks, and normalizing flows to approximate observations of a single light curve. Test datasets include simulated PLAsTiCC and real Zwicky Transient Facility Bright Transient Survey light curves of transients.}{The tests demonstrate that even just a few observations are enough to fit the networks and improve the quality of approximation, compared to state-of-the-art models. The methods described in this work have a low computational complexity and are significantly faster than Gaussian processes. Additionally, we analyzed the performance of the approximation techniques from the perspective of further peak identification and transients classification. The study results have been released in an open and user-friendly Fulu Python library available on GitHub for the scientific community.

We present starkiller, an open-source Python package for forward-modeling flux retrieval from integral field unit spectrograph (IFU) datacubes. Starkiller simultaneously provides stellar spectral classification, relative velocity, and line-of-sight extinction for all sources in a catalog, alongside a source-subtracted datacube. It performs synthetic difference imaging by simulating all catalog sources in the field of view, using the catalog for positions and fluxes to scale stellar models, independent of the datacube. This differencing method is particularly powerful for subtracting both point-sources and trailed or even streaked sources from extended astronomical objects. We demonstrate starkiller's effectiveness in improving observations of extended sources in dense stellar fields for VLT/MUSE observations of comets, asteroids and nebulae. We also show that starkiller can treat satellite-impacted VLT/MUSE observations. The package could be applied to tasks as varied as dust extinction in clusters and stellar variability; the stellar modeling using Gaia fluxes is provided as a standalone function. The techniques can be expanded to imagers and to other IFUs.

Classification algorithms have recently found applications in computational physics for the selection of numerical methods or models adapted to the environment and the state of the physical system. For such classification tasks, labeled training data come from numerical simulations and generally correspond to physical fields discretized on a mesh. Three challenging difficulties arise: the lack of training data, their high dimensionality, and the non-applicability of common data augmentation techniques to physics data. This article introduces two algorithms to address these issues, one for dimensionality reduction via feature selection, and one for data augmentation. These algorithms are combined with a wide variety of classifiers for their evaluation. When combined with a stacking ensemble made of six multilayer perceptrons and a ridge logistic regression, they enable reaching an accuracy of 90% on our classification problem for nonlinear structural mechanics.

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

Methane (CH_4) is the second most powerful greenhouse gas after carbon dioxide and plays a crucial role in climate change due to its high global warming potential. Accurately modeling CH_4 fluxes across the globe and at fine temporal scales is essential for understanding its spatial and temporal variability and developing effective mitigation strategies. In this work, we introduce the first-of-its-kind cross-scale global wetland methane benchmark dataset (X-MethaneWet), which synthesizes physics-based model simulation data from TEM-MDM and the real-world observation data from FLUXNET-CH_4. This dataset can offer opportunities for improving global wetland CH_4 modeling and science discovery with new AI algorithms. To set up AI model baselines for methane flux prediction, we evaluate the performance of various sequential deep learning models on X-MethaneWet. Furthermore, we explore four different transfer learning techniques to leverage simulated data from TEM-MDM to improve the generalization of deep learning models on real-world FLUXNET-CH_4 observations. Our extensive experiments demonstrate the effectiveness of these approaches, highlighting their potential for advancing methane emission modeling and contributing to the development of more accurate and scalable AI-driven climate models.

Machine learning as a discipline has seen an incredible surge of interest in recent years due in large part to a perfect storm of new theory, superior tooling, renewed interest in its capabilities. We present in this paper a framework named Flux that shows how further refinement of the core ideas of machine learning, built upon the foundation of the Julia programming language, can yield an environment that is simple, easily modifiable, and performant. We detail the fundamental principles of Flux as a framework for differentiable programming, give examples of models that are implemented within Flux to display many of the language and framework-level features that contribute to its ease of use and high productivity, display internal compiler techniques used to enable the acceleration and performance that lies at the heart of Flux, and finally give an overview of the larger ecosystem that Flux fits inside of.

Transformer-based foundation models have emerged as a dominant paradigm in time series analysis, offering unprecedented capabilities in tasks such as forecasting, anomaly detection, classification, trend analysis and many more time series analytical tasks. This survey provides a comprehensive overview of the current state of the art pre-trained foundation models, introducing a novel taxonomy to categorize them across several dimensions. Specifically, we classify models by their architecture design, distinguishing between those leveraging patch-based representations and those operating directly on raw sequences. The taxonomy further includes whether the models provide probabilistic or deterministic predictions, and whether they are designed to work with univariate time series or can handle multivariate time series out of the box. Additionally, the taxonomy encompasses model scale and complexity, highlighting differences between lightweight architectures and large-scale foundation models. A unique aspect of this survey is its categorization by the type of objective function employed during training phase. By synthesizing these perspectives, this survey serves as a resource for researchers and practitioners, providing insights into current trends and identifying promising directions for future research in transformer-based time series modeling.

Multivariate time series classification is a crucial task in data mining, attracting growing research interest due to its broad applications. While many existing methods focus on discovering discriminative patterns in time series, real-world data does not always present such patterns, and sometimes raw numerical values can also serve as discriminative features. Additionally, the recent success of Transformer models has inspired many studies. However, when applying to time series classification, the self-attention mechanisms in Transformer models could introduce classification-irrelevant features, thereby compromising accuracy. To address these challenges, we propose a novel method, VSFormer, that incorporates both discriminative patterns (shape) and numerical information (value). In addition, we extract class-specific prior information derived from supervised information to enrich the positional encoding and provide classification-oriented self-attention learning, thereby enhancing its effectiveness. Extensive experiments on all 30 UEA archived datasets demonstrate the superior performance of our method compared to SOTA models. Through ablation studies, we demonstrate the effectiveness of the improved encoding layer and the proposed self-attention mechanism. Finally, We provide a case study on a real-world time series dataset without discriminative patterns to interpret our model.

Automated classification of metadata of research data by their discipline(s) of research can be used in scientometric research, by repository service providers, and in the context of research data aggregation services. Openly available metadata of the DataCite index for research data were used to compile a large training and evaluation set comprised of 609,524 records, which is published alongside this paper. These data allow to reproducibly assess classification approaches, such as tree-based models and neural networks. According to our experiments with 20 base classes (multi-label classification), multi-layer perceptron models perform best with a f1-macro score of 0.760 closely followed by Long Short-Term Memory models (f1-macro score of 0.755). A possible application of the trained classification models is the quantitative analysis of trends towards interdisciplinarity of digital scholarly output or the characterization of growth patterns of research data, stratified by discipline of research. Both applications perform at scale with the proposed models which are available for re-use.

Diffusion models have demonstrated excellent capabilities in text-to-image generation. Their semantic understanding (i.e., prompt following) ability has also been greatly improved with large language models (e.g., T5, Llama). However, existing models cannot perfectly handle long and complex text prompts, especially when the text prompts contain various objects with numerous attributes and interrelated spatial relationships. While many regional prompting methods have been proposed for UNet-based models (SD1.5, SDXL), but there are still no implementations based on the recent Diffusion Transformer (DiT) architecture, such as SD3 and FLUX.1.In this report, we propose and implement regional prompting for FLUX.1 based on attention manipulation, which enables DiT with fined-grained compositional text-to-image generation capability in a training-free manner. Code is available at https://github.com/antonioo-c/Regional-Prompting-FLUX.

Recently, there has been a growing interest in utilizing machine learning for accurate classification of power quality events (PQEs). However, most of these studies are performed assuming an ideal situation, while in reality, we can have measurement noise, DC offset, and variations in the voltage signal's amplitude and frequency. Building on the prior PQE classification works using deep learning, this paper proposes a deep-learning framework that leverages attention-enabled Transformers as a tool to accurately classify PQEs under the aforementioned considerations. The proposed framework can operate directly on the voltage signals with no need for a separate feature extraction or calculation phase. Our results show that the proposed framework outperforms recently proposed learning-based techniques. It can accurately classify PQEs under the aforementioned conditions with an accuracy varying between 99.81%-91.43% depending on the signal-to-noise ratio, DC offsets, and variations in the signal amplitude and frequency.

Despite recent advances in deep generative modeling, skin lesion classification systems remain constrained by the limited availability of large, diverse, and well-annotated clinical datasets, resulting in class imbalance between benign and malignant lesions and consequently reduced generalization performance. We introduce DermaFlux, a rectified flow-based text-to-image generative framework that synthesizes clinically grounded skin lesion images from natural language descriptions of dermatological attributes. Built upon Flux.1, DermaFlux is fine-tuned using parameter-efficient Low-Rank Adaptation (LoRA) on a large curated collection of publicly available clinical image datasets. We construct image-text pairs using synthetic textual captions generated by Llama 3.2, following established dermatological criteria including lesion asymmetry, border irregularity, and color variation. Extensive experiments demonstrate that DermaFlux generates diverse and clinically meaningful dermatology images that improve binary classification performance by up to 6% when augmenting small real-world datasets, and by up to 9% when classifiers are trained on DermaFlux-generated synthetic images rather than diffusion-based synthetic images. Our ImageNet-pretrained ViT fine-tuned with only 2,500 real images and 4,375 DermaFlux-generated samples achieves 78.04% binary classification accuracy and an AUC of 0.859, surpassing the next best dermatology model by 8%.

It stands to reason that the amount and the quality of data is of key importance for setting up accurate AI-driven models. Among others, a fundamental aspect to consider is the bias introduced during sample selection in database generation. This is particularly relevant when a model is trained on a specialized dataset to predict a property of interest, and then applied to forecast the same property over samples having a completely different genesis. Indeed, the resulting biased model will likely produce unreliable predictions for many of those out-of-the-box samples. Neglecting such an aspect may hinder the AI-based discovery process, even when high quality, sufficiently large and highly reputable data sources are available. In this regard, with superconducting and thermoelectric materials as two prototypical case studies in the field of energy material discovery, we present and validate a new method (based on a classification strategy) capable of detecting, quantifying and circumventing the presence of cross-domain data bias.

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.

The advancement of open-source text-to-image (T2I) models has been hindered by the absence of large-scale, reasoning-focused datasets and comprehensive evaluation benchmarks, resulting in a performance gap compared to leading closed-source systems. To address this challenge, We introduce FLUX-Reason-6M and PRISM-Bench (Precise and Robust Image Synthesis Measurement Benchmark). FLUX-Reason-6M is a massive dataset consisting of 6 million high-quality FLUX-generated images and 20 million bilingual (English and Chinese) descriptions specifically designed to teach complex reasoning. The image are organized according to six key characteristics: Imagination, Entity, Text rendering, Style, Affection, and Composition, and design explicit Generation Chain-of-Thought (GCoT) to provide detailed breakdowns of image generation steps. The whole data curation takes 15,000 A100 GPU days, providing the community with a resource previously unattainable outside of large industrial labs. PRISM-Bench offers a novel evaluation standard with seven distinct tracks, including a formidable Long Text challenge using GCoT. Through carefully designed prompts, it utilizes advanced vision-language models for nuanced human-aligned assessment of prompt-image alignment and image aesthetics. Our extensive evaluation of 19 leading models on PRISM-Bench reveals critical performance gaps and highlights specific areas requiring improvement. Our dataset, benchmark, and evaluation code are released to catalyze the next wave of reasoning-oriented T2I generation. Project page: https://flux-reason-6m.github.io/ .

With the rapid development of diffusion models, text-to-image(T2I) models have made significant progress, showcasing impressive abilities in prompt following and image generation. Recently launched models such as FLUX.1 and Ideogram2.0, along with others like Dall-E3 and Stable Diffusion 3, have demonstrated exceptional performance across various complex tasks, raising questions about whether T2I models are moving towards general-purpose applicability. Beyond traditional image generation, these models exhibit capabilities across a range of fields, including controllable generation, image editing, video, audio, 3D, and motion generation, as well as computer vision tasks like semantic segmentation and depth estimation. However, current evaluation frameworks are insufficient to comprehensively assess these models' performance across expanding domains. To thoroughly evaluate these models, we developed the IMAGINE-E and tested six prominent models: FLUX.1, Ideogram2.0, Midjourney, Dall-E3, Stable Diffusion 3, and Jimeng. Our evaluation is divided into five key domains: structured output generation, realism, and physical consistency, specific domain generation, challenging scenario generation, and multi-style creation tasks. This comprehensive assessment highlights each model's strengths and limitations, particularly the outstanding performance of FLUX.1 and Ideogram2.0 in structured and specific domain tasks, underscoring the expanding applications and potential of T2I models as foundational AI tools. This study provides valuable insights into the current state and future trajectory of T2I models as they evolve towards general-purpose usability. Evaluation scripts will be released at https://github.com/jylei16/Imagine-e.

We present a novel approach to integrating scientific knowledge into generative models, enhancing their realism and consistency in image synthesis. First, we introduce Science-T2I, an expert-annotated adversarial dataset comprising adversarial 20k image pairs with 9k prompts, covering wide distinct scientific knowledge categories. Leveraging Science-T2I, we present SciScore, an end-to-end reward model that refines the assessment of generated images based on scientific knowledge, which is achieved by augmenting both the scientific comprehension and visual capabilities of pre-trained CLIP model. Additionally, based on SciScore, we propose a two-stage training framework, comprising a supervised fine-tuning phase and a masked online fine-tuning phase, to incorporate scientific knowledge into existing generative models. Through comprehensive experiments, we demonstrate the effectiveness of our framework in establishing new standards for evaluating the scientific realism of generated content. Specifically, SciScore attains performance comparable to human-level, demonstrating a 5% improvement similar to evaluations conducted by experienced human evaluators. Furthermore, by applying our proposed fine-tuning method to FLUX, we achieve a performance enhancement exceeding 50% on SciScore.

We present a technique for translating a black-box machine-learned classifier operating on a high-dimensional input space into a small set of human-interpretable observables that can be combined to make the same classification decisions. We iteratively select these observables from a large space of high-level discriminants by finding those with the highest decision similarity relative to the black box, quantified via a metric we introduce that evaluates the relative ordering of pairs of inputs. Successive iterations focus only on the subset of input pairs that are misordered by the current set of observables. This method enables simplification of the machine-learning strategy, interpretation of the results in terms of well-understood physical concepts, validation of the physical model, and the potential for new insights into the nature of the problem itself. As a demonstration, we apply our approach to the benchmark task of jet classification in collider physics, where a convolutional neural network acting on calorimeter jet images outperforms a set of six well-known jet substructure observables. Our method maps the convolutional neural network into a set of observables called energy flow polynomials, and it closes the performance gap by identifying a class of observables with an interesting physical interpretation that has been previously overlooked in the jet substructure literature.

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.

Deep learning-based methods have been widely researched in the areas of language and vision, demonstrating their capacity to understand long sequences of data and their usefulness in numerous helio-physics applications. Foundation models (FMs), which are pre-trained on a large-scale datasets, form the basis for a variety of downstream tasks. These models, especially those based on transformers in vision and language, show exceptional potential for adapting to a wide range of downstream applications. In this paper, we provide our perspective on the criteria for designing an FM for heliophysics and associated challenges and applications using the Solar Dynamics Observatory (SDO) dataset. We believe that this is the first study to design an FM in the domain of heliophysics.

Machine learning is now used in many areas of astrophysics, from detecting exoplanets in Kepler transit signals to removing telescope systematics. Recent work demonstrated the potential of using machine learning algorithms for atmospheric retrieval by implementing a random forest to perform retrievals in seconds that are consistent with the traditional, computationally-expensive nested-sampling retrieval method. We expand upon their approach by presenting a new machine learning model, plan-net, based on an ensemble of Bayesian neural networks that yields more accurate inferences than the random forest for the same data set of synthetic transmission spectra. We demonstrate that an ensemble provides greater accuracy and more robust uncertainties than a single model. In addition to being the first to use Bayesian neural networks for atmospheric retrieval, we also introduce a new loss function for Bayesian neural networks that learns correlations between the model outputs. Importantly, we show that designing machine learning models to explicitly incorporate domain-specific knowledge both improves performance and provides additional insight by inferring the covariance of the retrieved atmospheric parameters. We apply plan-net to the Hubble Space Telescope Wide Field Camera 3 transmission spectrum for WASP-12b and retrieve an isothermal temperature and water abundance consistent with the literature. We highlight that our method is flexible and can be expanded to higher-resolution spectra and a larger number of atmospheric parameters.

In an effort to catalog insect biodiversity, we propose a new large dataset of hand-labelled insect images, the BIOSCAN-Insect Dataset. Each record is taxonomically classified by an expert, and also has associated genetic information including raw nucleotide barcode sequences and assigned barcode index numbers, which are genetically-based proxies for species classification. This paper presents a curated million-image dataset, primarily to train computer-vision models capable of providing image-based taxonomic assessment, however, the dataset also presents compelling characteristics, the study of which would be of interest to the broader machine learning community. Driven by the biological nature inherent to the dataset, a characteristic long-tailed class-imbalance distribution is exhibited. Furthermore, taxonomic labelling is a hierarchical classification scheme, presenting a highly fine-grained classification problem at lower levels. Beyond spurring interest in biodiversity research within the machine learning community, progress on creating an image-based taxonomic classifier will also further the ultimate goal of all BIOSCAN research: to lay the foundation for a comprehensive survey of global biodiversity. This paper introduces the dataset and explores the classification task through the implementation and analysis of a baseline classifier.

This study proposes a two-phase methodology for detecting and classifying auxiliary insulation in structural components. In the detection phase, a YOLOv8x model is trained on a dataset of complete structural blueprints, each annotated with bounding boxes indicating areas that should contain insulation. In the classification phase, these detected insulation patches are cropped and categorized into two classes: present or missing. These are then used to train a YOLOv8x-CLS model that determines the presence or absence of auxiliary insulation. Preprocessing steps for both datasets included annotation, augmentation, and appropriate cropping of the insulation regions. The detection model achieved a mean average precision (mAP) score of 82%, while the classification model attained an accuracy of 98%. These findings demonstrate the effectiveness of the proposed approach in automating insulation detection and classification, providing a foundation for further advancements in this domain.

The growing demand for controllable outputs in text-to-image generation has driven significant advancements in multi-instance generation (MIG), enabling users to define both instance layouts and attributes. Currently, the state-of-the-art methods in MIG are primarily adapter-based. However, these methods necessitate retraining a new adapter each time a more advanced model is released, resulting in significant resource consumption. A methodology named Depth-Driven Decoupled Instance Synthesis (3DIS) has been introduced, which decouples MIG into two distinct phases: 1) depth-based scene construction and 2) detail rendering with widely pre-trained depth control models. The 3DIS method requires adapter training solely during the scene construction phase, while enabling various models to perform training-free detail rendering. Initially, 3DIS focused on rendering techniques utilizing U-Net architectures such as SD1.5, SD2, and SDXL, without exploring the potential of recent DiT-based models like FLUX. In this paper, we present 3DIS-FLUX, an extension of the 3DIS framework that integrates the FLUX model for enhanced rendering capabilities. Specifically, we employ the FLUX.1-Depth-dev model for depth map controlled image generation and introduce a detail renderer that manipulates the Attention Mask in FLUX's Joint Attention mechanism based on layout information. This approach allows for the precise rendering of fine-grained attributes of each instance. Our experimental results indicate that 3DIS-FLUX, leveraging the FLUX model, outperforms the original 3DIS method, which utilized SD2 and SDXL, and surpasses current state-of-the-art adapter-based methods in terms of both performance and image quality. Project Page: https://limuloo.github.io/3DIS/.

With the effects of global climate change impacting the world, collective efforts are needed to reduce greenhouse gas emissions. The energy sector is the single largest contributor to climate change and many efforts are focused on reducing dependence on carbon-emitting power plants and moving to renewable energy sources, such as solar power. A comprehensive database of the location of solar panels is important to assist analysts and policymakers in defining strategies for further expansion of solar energy. In this paper we focus on creating a world map of solar panels. We identify locations and total surface area of solar panels within a given geographic area. We use deep learning methods for automated detection of solar panel locations and their surface area using aerial imagery. The framework, which consists of a two-branch model using an image classifier in tandem with a semantic segmentation model, is trained on our created dataset of satellite images. Our work provides an efficient and scalable method for detecting solar panels, achieving an accuracy of 0.96 for classification and an IoU score of 0.82 for segmentation performance.

We consider the problem of real-time reconstruction of urban air pollution maps. The task is challenging due to the heterogeneous sources of available data, the scarcity of direct measurements, the presence of noise, and the large surfaces that need to be considered. In this work, we introduce different reconstruction methods based on posing the problem on city graphs. Our strategies can be classified as fully data-driven, physics-driven, or hybrid, and we combine them with super-learning models. The performance of the methods is tested in the case of the inner city of Paris, France.

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

Jet tagging is a critical yet challenging classification task in particle physics. While deep learning has transformed jet tagging and significantly improved performance, the lack of a large-scale public dataset impedes further enhancement. In this work, we present JetClass, a new comprehensive dataset for jet tagging. The JetClass dataset consists of 100 M jets, about two orders of magnitude larger than existing public datasets. A total of 10 types of jets are simulated, including several types unexplored for tagging so far. Based on the large dataset, we propose a new Transformer-based architecture for jet tagging, called Particle Transformer (ParT). By incorporating pairwise particle interactions in the attention mechanism, ParT achieves higher tagging performance than a plain Transformer and surpasses the previous state-of-the-art, ParticleNet, by a large margin. The pre-trained ParT models, once fine-tuned, also substantially enhance the performance on two widely adopted jet tagging benchmarks. The dataset, code and models are publicly available at https://github.com/jet-universe/particle_transformer.

Recent results indicate that the generic descriptors extracted from the convolutional neural networks are very powerful. This paper adds to the mounting evidence that this is indeed the case. We report on a series of experiments conducted for different recognition tasks using the publicly available code and model of the \overfeat network which was trained to perform object classification on ILSVRC13. We use features extracted from the \overfeat network as a generic image representation to tackle the diverse range of recognition tasks of object image classification, scene recognition, fine grained recognition, attribute detection and image retrieval applied to a diverse set of datasets. We selected these tasks and datasets as they gradually move further away from the original task and data the \overfeat network was trained to solve. Astonishingly, we report consistent superior results compared to the highly tuned state-of-the-art systems in all the visual classification tasks on various datasets. For instance retrieval it consistently outperforms low memory footprint methods except for sculptures dataset. The results are achieved using a linear SVM classifier (or L2 distance in case of retrieval) applied to a feature representation of size 4096 extracted from a layer in the net. The representations are further modified using simple augmentation techniques e.g. jittering. The results strongly suggest that features obtained from deep learning with convolutional nets should be the primary candidate in most visual recognition tasks.

Air quality prediction and modelling plays a pivotal role in public health and environment management, for individuals and authorities to make informed decisions. Although traditional data-driven models have shown promise in this domain, their long-term prediction accuracy can be limited, especially in scenarios with sparse or incomplete data and they often rely on black-box deep learning structures that lack solid physical foundation leading to reduced transparency and interpretability in predictions. To address these limitations, this paper presents a novel approach named Physics guided Neural Network for Air Quality Prediction (AirPhyNet). Specifically, we leverage two well-established physics principles of air particle movement (diffusion and advection) by representing them as differential equation networks. Then, we utilize a graph structure to integrate physics knowledge into a neural network architecture and exploit latent representations to capture spatio-temporal relationships within the air quality data. Experiments on two real-world benchmark datasets demonstrate that AirPhyNet outperforms state-of-the-art models for different testing scenarios including different lead time (24h, 48h, 72h), sparse data and sudden change prediction, achieving reduction in prediction errors up to 10%. Moreover, a case study further validates that our model captures underlying physical processes of particle movement and generates accurate predictions with real physical meaning.

Transformers have become the de facto standard for a wide range of tasks, from image classification to physics simulations. Despite their impressive performance, the quadratic complexity of standard Transformers in both memory and time with respect to the input length makes them impractical for processing high-resolution inputs. Therefore, several variants have been proposed, the most successful relying on patchification, downsampling, or coarsening techniques, often at the cost of losing the finest-scale details. In this work, we take a different approach. Inspired by state-of-the-art techniques in n-body numerical simulations, we cast attention as an interaction problem between grid points. We introduce the Multipole Attention Neural Operator (MANO), which computes attention in a distance-based multiscale fashion. MANO maintains, in each attention head, a global receptive field and achieves linear time and memory complexity with respect to the number of grid points. Empirical results on image classification and Darcy flows demonstrate that MANO rivals state-of-the-art models such as ViT and Swin Transformer, while reducing runtime and peak memory usage by orders of magnitude. We open source our code for reproducibility at https://github.com/AlexColagrande/MANO.

Popular video training methods mainly operate on a fixed number of tokens sampled from a predetermined spatiotemporal grid, resulting in sub-optimal accuracy-computation trade-offs due to inherent video redundancy. They also lack adaptability to varying computational budgets for downstream tasks, hindering applications of the most competitive model in real-world scenes. We thus propose a new test setting, Token Optimization, for maximized input information across budgets, which optimizes the size-limited set of input tokens through token selection from more suitably sampled videos. To this end, we propose a novel augmentation tool termed Flux. By making the sampling grid flexible and leveraging token selection, it is easily adopted in most popular video training frameworks, boosting model robustness with nearly no additional cost. We integrate Flux in large-scale video pre-training, and the resulting FluxViT establishes new state-of-the-art results across extensive tasks at standard costs. Notably, with 1/4 tokens only, it can still match the performance of previous state-of-the-art models with Token Optimization, yielding nearly 90\% savings. All models and data are available at https://github.com/OpenGVLab/FluxViT.

Geological borehole descriptions contain detailed textual information about the composition of the subsurface. However, their unstructured format presents significant challenges for extracting relevant features into a structured format. This paper introduces GEOBERTje: a domain adapted large language model trained on geological borehole descriptions from Flanders (Belgium) in the Dutch language. This model effectively extracts relevant information from the borehole descriptions and represents it into a numeric vector space. Showcasing just one potential application of GEOBERTje, we finetune a classifier model on a limited number of manually labeled observations. This classifier categorizes borehole descriptions into a main, second and third lithology class. We show that our classifier outperforms both a rule-based approach and GPT-4 of OpenAI. This study exemplifies how domain adapted large language models enhance the efficiency and accuracy of extracting information from complex, unstructured geological descriptions. This offers new opportunities for geological analysis and modeling using vast amounts of data.

We present a method for parametrizing sub-grid processes in the Shallow Water equations. We define coarse variables and local spatial averages and use a feed-forward neural network to learn sub-grid fluxes. Our method results in a local parametrization that uses a four-point computational stencil, which has several advantages over globally coupled parametrizations. We demonstrate numerically that our method improves energy balance in long-term turbulent simulations and also accurately reproduces individual solutions. The neural network parametrization can be easily combined with flux limiting to reduce oscillations near shocks. More importantly, our method provides reliable parametrizations, even in dynamical regimes that are not included in the training data.

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

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

Lithology classification aims to infer subsurface rock types from well-logging signals, supporting downstream applications like reservoir characterization. Despite substantial progress, most existing methods still treat lithology classification as a single-pass classification task. In contrast, practical experts incorporate geological principles, external knowledge, and tool-use capabilities to perform accurate classification. In this work, we propose GeoDecider, a coarse-to-fine agentic workflow that enables accurate and explainable lithology classification through training-free use of large language models (LLMs). GeoDecider reformulates lithology classification as an expert-like structured process and organizes it into a multi-stage workflow involving coarse-to-fine reasoning. Specifically, GeoDecider includes the following stages: (1) base classifier-guided coarse classification, which uses a pre-trained classifier to provide a rough reference for downstream tasks, thus reducing the overall cost of downstream reasoning, (2) tool-augmented reasoning, which utilizes several tools such as contextual analysis and neighbor retrieval to achieve finer and more precise classifications, (3) geological refinement, which post-processes the final results to enforce geological consistency. Experiments on four benchmarks show that GeoDecider outperforms representative baselines. Further analysis demonstrates that the proposed framework produces geologically interpretable predictions while achieving a better trade-off between classification performance and inference efficiency.

Recently, pre-trained text-to-image (T2I) models have been extensively adopted for real-world image restoration because of their powerful generative prior. However, controlling these large models for image restoration usually requires a large number of high-quality images and immense computational resources for training, which is costly and not privacy-friendly. In this paper, we find that the well-trained large T2I model (i.e., Flux) is able to produce a variety of high-quality images aligned with real-world distributions, offering an unlimited supply of training samples to mitigate the above issue. Specifically, we proposed a training data construction pipeline for image restoration, namely FluxGen, which includes unconditional image generation, image selection, and degraded image simulation. A novel light-weighted adapter (FluxIR) with squeeze-and-excitation layers is also carefully designed to control the large Diffusion Transformer (DiT)-based T2I model so that reasonable details can be restored. Experiments demonstrate that our proposed method enables the Flux model to adapt effectively to real-world image restoration tasks, achieving superior scores and visual quality on both synthetic and real-world degradation datasets - at only about 8.5\% of the training cost compared to current approaches.

The application of superconducting materials is becoming more and more widespread. Traditionally, the discovery of new superconducting materials relies on the experience of experts and a large number of "trial and error" experiments, which not only increases the cost of experiments but also prolongs the period of discovering new superconducting materials. In recent years, machine learning has been increasingly applied to materials science. Based on this, this manuscript proposes the use of XGBoost model to identify superconductors; the first application of deep forest model to predict the critical temperature of superconductors; the first application of deep forest to predict the band gap of materials; and application of a new sub-network model to predict the Fermi energy level of materials. Compared with our known similar literature, all the above algorithms reach state-of-the-art. Finally, this manuscript uses the above models to search the COD public dataset and identify 50 candidate superconducting materials with possible critical temperature greater than 90 K.

In this paper, we introduce a novel graph-based method to classify the regions with similar climate in a local area. We refer our proposed method as Graph Partition Based Method (GPBM). Our proposed method attempts to overcome the shortcomings of the current state-of-the-art methods in the literature. It has no limit on the number of variables that can be used and also preserves the nature of climate data. To illustrate the capability of our proposed algorithm, we benchmark its performance with other state-of-the-art climate classification techniques. The climate data is collected from 24 synoptic stations in Fars province in southern Iran. The data includes seven climate variables stored as time series from 1951 to 2017. Our results exhibit that our proposed method performs a more realistic climate classification with less computational time. It can save more information during the climate classification process and is therefore efficient in further data analysis. Furthermore, using our method, we can introduce seasonal graphs to better investigate seasonal climate changes. To the best of our knowledge, our proposed method is the first graph-based climate classification system.

Planktonic organisms are of fundamental importance to marine ecosystems: they form the basis of the food web, provide the link between the atmosphere and the deep ocean, and influence global-scale biogeochemical cycles. Scientists are increasingly using imaging-based technologies to study these creatures in their natural habit. Images from such systems provide an unique opportunity to model and understand plankton ecosystems, but the collected datasets can be enormous. The Imaging FlowCytobot (IFCB) at Woods Hole Oceanographic Institution, for example, is an in situ system that has been continuously imaging plankton since 2006. To date, it has generated more than 700 million samples. Manual classification of such a vast image collection is impractical due to the size of the data set. In addition, the annotation task is challenging due to the large space of relevant classes, intra-class variability, and inter-class similarity. Methods for automated classification exist, but the accuracy is often below that of human experts. Here we introduce WHOI-Plankton: a large scale, fine-grained visual recognition dataset for plankton classification, which comprises over 3.4 million expert-labeled images across 70 classes. The labeled image set is complied from over 8 years of near continuous data collection with the IFCB at the Martha's Vineyard Coastal Observatory (MVCO). We discuss relevant metrics for evaluation of classification performance and provide results for a traditional method based on hand-engineered features and two methods based on convolutional neural networks.

Due to their high predictive performance and flexibility, machine learning models are an appropriate and efficient tool for ecologists. However, implementing a machine learning model is not yet a trivial task and may seem intimidating to ecologists with no previous experience in this area. Here we provide a series of tips to help ecologists in implementing machine learning models. We focus on classification problems as many ecological studies aim to assign data into predefined classes such as ecological states or biological entities. Each of the nine tips identifies a common error, trap or challenge in developing machine learning models and provides recommendations to facilitate their use in ecological studies.

This paper explores the feasibility of using text-to-image models in a zero-shot setup to generate images for taxonomy concepts. While text-based methods for taxonomy enrichment are well-established, the potential of the visual dimension remains unexplored. To address this, we propose a comprehensive benchmark for Taxonomy Image Generation that assesses models' abilities to understand taxonomy concepts and generate relevant, high-quality images. The benchmark includes common-sense and randomly sampled WordNet concepts, alongside the LLM generated predictions. The 12 models are evaluated using 9 novel taxonomy-related text-to-image metrics and human feedback. Moreover, we pioneer the use of pairwise evaluation with GPT-4 feedback for image generation. Experimental results show that the ranking of models differs significantly from standard T2I tasks. Playground-v2 and FLUX consistently outperform across metrics and subsets and the retrieval-based approach performs poorly. These findings highlight the potential for automating the curation of structured data resources.

Accurate diagnosis of power transformer faults is essential for ensuring the stability and safety of electrical power systems. This study presents a comparative analysis of conventional machine learning (ML) algorithms and deep learning (DL) algorithms for fault classification of power transformers. Using a condition-monitored dataset spanning 10 months, various gas concentration features were normalized and used to train five ML classifiers: Support Vector Machine (SVM), k-Nearest Neighbors (KNN), Random Forest (RF), XGBoost, and Artificial Neural Network (ANN). In addition, four DL models were evaluated: Long Short-Term Memory (LSTM), Gated Recurrent Unit (GRU), One-Dimensional Convolutional Neural Network (1D-CNN), and TabNet. Experimental results show that both ML and DL approaches performed comparably. The RF model achieved the highest ML accuracy at 86.82%, while the 1D-CNN model attained a close 86.30%.

Image-conditioned generation methods, such as depth- and canny-conditioned approaches, have demonstrated remarkable abilities for precise image synthesis. However, existing models still struggle to accurately control the content of multiple instances (or regions). Even state-of-the-art models like FLUX and 3DIS face challenges, such as attribute leakage between instances, which limits user control. To address these issues, we introduce DreamRenderer, a training-free approach built upon the FLUX model. DreamRenderer enables users to control the content of each instance via bounding boxes or masks, while ensuring overall visual harmony. We propose two key innovations: 1) Bridge Image Tokens for Hard Text Attribute Binding, which uses replicated image tokens as bridge tokens to ensure that T5 text embeddings, pre-trained solely on text data, bind the correct visual attributes for each instance during Joint Attention; 2) Hard Image Attribute Binding applied only to vital layers. Through our analysis of FLUX, we identify the critical layers responsible for instance attribute rendering and apply Hard Image Attribute Binding only in these layers, using soft binding in the others. This approach ensures precise control while preserving image quality. Evaluations on the COCO-POS and COCO-MIG benchmarks demonstrate that DreamRenderer improves the Image Success Ratio by 17.7% over FLUX and enhances the performance of layout-to-image models like GLIGEN and 3DIS by up to 26.8%. Project Page: https://limuloo.github.io/DreamRenderer/.

We present a data-driven approach for forecasting global weather using graph neural networks. The system learns to step forward the current 3D atmospheric state by six hours, and multiple steps are chained together to produce skillful forecasts going out several days into the future. The underlying model is trained on reanalysis data from ERA5 or forecast data from GFS. Test performance on metrics such as Z500 (geopotential height) and T850 (temperature) improves upon previous data-driven approaches and is comparable to operational, full-resolution, physical models from GFS and ECMWF, at least when evaluated on 1-degree scales and when using reanalysis initial conditions. We also show results from connecting this data-driven model to live, operational forecasts from GFS.

Foundation models (FMs), i.e., models trained on a vast amount of typically unlabeled data, have become popular and available recently for the domain of histopathology. The key idea is to extract semantically rich vectors from any input patch, allowing for the use of simple subsequent classification networks potentially reducing the required amounts of labeled data, and increasing domain robustness. In this work, we investigate to which degree this also holds for mitotic figure classification. Utilizing two popular public mitotic figure datasets, we compared linear probing of five publicly available FMs against models trained on ImageNet and a simple ResNet50 end-to-end-trained baseline. We found that the end-to-end-trained baseline outperformed all FM-based classifiers, regardless of the amount of data provided. Additionally, we did not observe the FM-based classifiers to be more robust against domain shifts, rendering both of the above assumptions incorrect.

Conformal prediction (CP) for regression can be challenging, especially when the output distribution is heteroscedastic, multimodal, or skewed. Some of the issues can be addressed by estimating a distribution over the output, but in reality, such approaches can be sensitive to estimation error and yield unstable intervals.~Here, we circumvent the challenges by converting regression to a classification problem and then use CP for classification to obtain CP sets for regression.~To preserve the ordering of the continuous-output space, we design a new loss function and make necessary modifications to the CP classification techniques.~Empirical results on many benchmarks shows that this simple approach gives surprisingly good results on many practical problems.

Disentangling image content and style is essential for customized image generation. Existing SDXL-based methods struggle to achieve high-quality results, while the recently proposed Flux model fails to achieve effective content-style separation due to its underexplored characteristics. To address these challenges, we conduct a systematic analysis of Flux and make two key observations: (1) Single Dream Blocks are essential for image generation; and (2) Early single stream blocks mainly control content, whereas later blocks govern style. Based on these insights, we propose SplitFlux, which disentangles content and style by fine-tuning the single dream blocks via LoRA, enabling the disentangled content to be re-embedded into new contexts. It includes two key components: (1) Rank-Constrained Adaptation. To preserve content identity and structure, we compress the rank and amplify the magnitude of updates within specific blocks, preventing content leakage into style blocks. (2) Visual-Gated LoRA. We split the content LoRA into two branches with different ranks, guided by image saliency. The high-rank branch preserves primary subject information, while the low-rank branch encodes residual details, mitigating content overfitting and enabling seamless re-embedding. Extensive experiments demonstrate that SplitFlux consistently outperforms state-of-the-art methods, achieving superior content preservation and stylization quality across diverse scenarios.

The ability of deep learning models to learn continuously is essential for adapting to new data categories and evolving data distributions. In recent years, approaches leveraging frozen feature extractors after an initial learning phase have been extensively studied. Many of these methods estimate per-class covariance matrices and prototypes based on backbone-derived feature representations. Within this paradigm, we introduce FeNeC (Feature Neighborhood Classifier) and FeNeC-Log, its variant based on the log-likelihood function. Our approach generalizes the existing concept by incorporating data clustering to capture greater intra-class variability. Utilizing the Mahalanobis distance, our models classify samples either through a nearest neighbor approach or trainable logit values assigned to consecutive classes. Our proposition may be reduced to the existing approaches in a special case while extending them with the ability of more flexible adaptation to data. We demonstrate that two FeNeC variants achieve competitive performance in scenarios where task identities are unknown and establish state-of-the-art results on several benchmarks.

Machine learning has become an essential tool in jet physics. Due to their complex, high-dimensional nature, jets can be explored holistically by neural networks in ways that are not possible manually. However, innovations in all areas of jet physics are proceeding in parallel. We show that specially constructed machine learning models trained for a specific jet classification task can improve the accuracy, precision, or speed of all other jet physics tasks. This is demonstrated by training on a particular multiclass generation and classification task and then using the learned representation for different generation and classification tasks, for datasets with a different (full) detector simulation, for jets from a different collision system (pp versus ep), for generative models, for likelihood ratio estimation, and for anomaly detection. We consider, our OmniLearn approach thus as a jet-physics foundation model. It is made publicly available for use in any area where state-of-the-art precision is required for analyses involving jets and their substructure.

While neural networks are used for classification tasks across domains, a long-standing open problem in machine learning is determining whether neural networks trained using standard procedures are optimal for classification, i.e., whether such models minimize the probability of misclassification for arbitrary data distributions. In this work, we identify and construct an explicit set of neural network classifiers that achieve optimality. Since effective neural networks in practice are typically both wide and deep, we analyze infinitely wide networks that are also infinitely deep. In particular, using the recent connection between infinitely wide neural networks and Neural Tangent Kernels, we provide explicit activation functions that can be used to construct networks that achieve optimality. Interestingly, these activation functions are simple and easy to implement, yet differ from commonly used activations such as ReLU or sigmoid. More generally, we create a taxonomy of infinitely wide and deep networks and show that these models implement one of three well-known classifiers depending on the activation function used: (1) 1-nearest neighbor (model predictions are given by the label of the nearest training example); (2) majority vote (model predictions are given by the label of the class with greatest representation in the training set); or (3) singular kernel classifiers (a set of classifiers containing those that achieve optimality). Our results highlight the benefit of using deep networks for classification tasks, in contrast to regression tasks, where excessive depth is harmful.

We present a transformer architecture-based foundation model for tasks at high-energy particle colliders such as the Large Hadron Collider. We train the model to classify jets using a self-supervised strategy inspired by the Joint Embedding Predictive Architecture. We use the JetClass dataset containing 100M jets of various known particles to pre-train the model with a data-centric approach -- the model uses a fraction of the jet constituents as the context to predict the embeddings of the unseen target constituents. Our pre-trained model fares well with other datasets for standard classification benchmark tasks. We test our model on two additional downstream tasks: top tagging and differentiating light-quark jets from gluon jets. We also evaluate our model with task-specific metrics and baselines and compare it with state-of-the-art models in high-energy physics. Project site: https://hep-jepa.github.io/

The atmosphere affects humans in a multitude of ways, from loss of life due to adverse weather effects to long-term social and economic impacts on societies. Computer simulations of atmospheric dynamics are, therefore, of great importance for the well-being of our and future generations. Here, we propose AtmoRep, a novel, task-independent stochastic computer model of atmospheric dynamics that can provide skillful results for a wide range of applications. AtmoRep uses large-scale representation learning from artificial intelligence to determine a general description of the highly complex, stochastic dynamics of the atmosphere from the best available estimate of the system's historical trajectory as constrained by observations. This is enabled by a novel self-supervised learning objective and a unique ensemble that samples from the stochastic model with a variability informed by the one in the historical record. The task-independent nature of AtmoRep enables skillful results for a diverse set of applications without specifically training for them and we demonstrate this for nowcasting, temporal interpolation, model correction, and counterfactuals. We also show that AtmoRep can be improved with additional data, for example radar observations, and that it can be extended to tasks such as downscaling. Our work establishes that large-scale neural networks can provide skillful, task-independent models of atmospheric dynamics. With this, they provide a novel means to make the large record of atmospheric observations accessible for applications and for scientific inquiry, complementing existing simulations based on first principles.

A wide range of deep learning-based machine learning techniques are extensively applied to the design of high-entropy alloys (HEAs), yielding numerous valuable insights. Kolmogorov-Arnold Networks (KAN) is a recently developed architecture that aims to improve both the accuracy and interpretability of input features. In this work, we explore three different datasets for HEA design and demonstrate the application of KAN for both classification and regression models. In the first example, we use a KAN classification model to predict the probability of single-phase formation in high-entropy carbide ceramics based on various properties such as mixing enthalpy and valence electron concentration. In the second example, we employ a KAN regression model to predict the yield strength and ultimate tensile strength of HEAs based on their chemical composition and process conditions including annealing time, cold rolling percentage, and homogenization temperature. The third example involves a KAN classification model to determine whether a certain composition is an HEA or non-HEA, followed by a KAN regressor model to predict the bulk modulus of the identified HEA, aiming to identify HEAs with high bulk modulus. In all three examples, KAN either outperform or match the performance in terms of accuracy such as F1 score for classification and Mean Square Error (MSE), and coefficient of determination (R2) for regression of the multilayer perceptron (MLP) by demonstrating the efficacy of KAN in handling both classification and regression tasks. We provide a promising direction for future research to explore advanced machine learning techniques, which lead to more accurate predictions and better interpretability of complex materials, ultimately accelerating the discovery and optimization of HEAs with desirable properties.

Here we present the first method for tracking each leg of a fruit fly behaving spontaneously upon a trackball, in real time. Legs were tracked with infrared-fluorescent dye invisible to the fly, and compatible with two-photon microscopy and controlled visual stimuli. We developed machine learning classifiers to identify instances of numerous behavioral features (e.g. walking, turning, grooming) thus producing the highest resolution ethological profiles for individual flies.

Deep Learning (DL) has shown remarkable results in solving inverse problems in various domains. In particular, the Tikhonet approach is very powerful to deconvolve optical astronomical images (Sureau et al. 2020). Yet, this approach only uses the ell_2 loss, which does not guarantee the preservation of physical information (e.g. flux and shape) of the object reconstructed in the image. In Nammour et al. (2021), a new loss function was proposed in the framework of sparse deconvolution, which better preserves the shape of galaxies and reduces the pixel error. In this paper, we extend Tikhonet to take into account this shape constraint, and apply our new DL method, called ShapeNet, to optical and radio-interferometry simulated data set. The originality of the paper relies on i) the shape constraint we use in the neural network framework, ii) the application of deep learning to radio-interferometry image deconvolution for the first time, and iii) the generation of a simulated radio data set that we make available for the community. A range of examples illustrates the results.

The automatic extraction of materials and related properties from the scientific literature is gaining attention in data-driven materials science (Materials Informatics). In this paper, we discuss Grobid-superconductors, our solution for automatically extracting superconductor material names and respective properties from text. Built as a Grobid module, it combines machine learning and heuristic approaches in a multi-step architecture that supports input data as raw text or PDF documents. Using Grobid-superconductors, we built SuperCon2, a database of 40324 materials and properties records from 37700 papers. The material (or sample) information is represented by name, chemical formula, and material class, and is characterized by shape, doping, substitution variables for components, and substrate as adjoined information. The properties include the Tc superconducting critical temperature and, when available, applied pressure with the Tc measurement method.

African agriculture is undergoing rapid transformation. Annual maps of crop fields are key to understanding the nature of this transformation, but such maps are currently lacking and must be developed using advanced machine learning models trained on high resolution remote sensing imagery. To enable the development of such models, we delineated field boundaries in 33,746 Planet images captured between 2017 and 2023 across the continent using a custom labeling platform with built-in procedures for assessing and mitigating label error. We collected 42,403 labels, including 7,204 labels arising from tasks dedicated to assessing label quality (Class 1 labels), 32,167 from sites mapped once by a single labeller (Class 2) and 3,032 labels from sites where 3 or more labellers were tasked to map the same location (Class 4). Class 1 labels were used to calculate labeller-specific quality scores, while Class 1 and 4 sites mapped by at least 3 labellers were used to further evaluate label uncertainty using a Bayesian risk metric. Quality metrics showed that label quality was moderately high (0.75) for measures of total field extent, but low regarding the number of individual fields delineated (0.33), and the position of field edges (0.05). These values are expected when delineating small-scale fields in 3-5 m resolution imagery, which can be too coarse to reliably distinguish smaller fields, particularly in dense croplands, and therefore requires substantial labeller judgement. Nevertheless, previous work shows that such labels can train effective field mapping models. Furthermore, this large, probabilistic sample on its own provides valuable insight into regional agricultural characteristics, highlighting variations in the median field size and density. The imagery and vectorized labels along with quality information is available for download from two public repositories.

Liquid perception is critical for robotic pouring tasks. It usually requires the robust visual detection of flowing liquid. However, while recent works have shown promising results in liquid perception, they typically require labeled data for model training, a process that is both time-consuming and reliant on human labor. To this end, this paper proposes a simple yet effective framework PourIt!, to serve as a tool for robotic pouring tasks. We design a simple data collection pipeline that only needs image-level labels to reduce the reliance on tedious pixel-wise annotations. Then, a binary classification model is trained to generate Class Activation Map (CAM) that focuses on the visual difference between these two kinds of collected data, i.e., the existence of liquid drop or not. We also devise a feature contrast strategy to improve the quality of the CAM, thus entirely and tightly covering the actual liquid regions. Then, the container pose is further utilized to facilitate the 3D point cloud recovery of the detected liquid region. Finally, the liquid-to-container distance is calculated for visual closed-loop control of the physical robot. To validate the effectiveness of our proposed method, we also contribute a novel dataset for our task and name it PourIt! dataset. Extensive results on this dataset and physical Franka robot have shown the utility and effectiveness of our method in the robotic pouring tasks. Our dataset, code and pre-trained models will be available on the project page.

Machine learning models -- including prominent zero-shot models -- are often trained on datasets whose labels are only a small proportion of a larger label space. Such spaces are commonly equipped with a metric that relates the labels via distances between them. We propose a simple approach to exploit this information to adapt the trained model to reliably predict new classes -- or, in the case of zero-shot prediction, to improve its performance -- without any additional training. Our technique is a drop-in replacement of the standard prediction rule, swapping argmax with the Fr\'echet mean. We provide a comprehensive theoretical analysis for this approach, studying (i) learning-theoretic results trading off label space diameter, sample complexity, and model dimension, (ii) characterizations of the full range of scenarios in which it is possible to predict any unobserved class, and (iii) an optimal active learning-like next class selection procedure to obtain optimal training classes for when it is not possible to predict the entire range of unobserved classes. Empirically, using easily-available external metrics, our proposed approach, Loki, gains up to 29.7% relative improvement over SimCLR on ImageNet and scales to hundreds of thousands of classes. When no such metric is available, Loki can use self-derived metrics from class embeddings and obtains a 10.5% improvement on pretrained zero-shot models such as CLIP.

We study a version of adversarial classification where an adversary is empowered to corrupt data inputs up to some distance varepsilon, using tools from variational analysis. In particular, we describe necessary conditions associated with the optimal classifier subject to such an adversary. Using the necessary conditions, we derive a geometric evolution equation which can be used to track the change in classification boundaries as varepsilon varies. This evolution equation may be described as an uncoupled system of differential equations in one dimension, or as a mean curvature type equation in higher dimension. In one dimension, and under mild assumptions on the data distribution, we rigorously prove that one can use the initial value problem starting from varepsilon=0, which is simply the Bayes classifier, in order to solve for the global minimizer of the adversarial problem for small values of varepsilon. In higher dimensions we provide a similar result, albeit conditional to the existence of regular solutions of the initial value problem. In the process of proving our main results we obtain a result of independent interest connecting the original adversarial problem with an optimal transport problem under no assumptions on whether classes are balanced or not. Numerical examples illustrating these ideas are also presented.

We reconstruct the extra-galactic gamma-ray source-count distribution, or dN/dS, of resolved and unresolved sources by adopting machine learning techniques. Specifically, we train a convolutional neural network on synthetic 2-dimensional sky-maps, which are built by varying parameters of underlying source-counts models and incorporate the Fermi-LAT instrumental response functions. The trained neural network is then applied to the Fermi-LAT data, from which we estimate the source count distribution down to flux levels a factor of 50 below the Fermi-LAT threshold. We perform our analysis using 14 years of data collected in the (1,10) GeV energy range. The results we obtain show a source count distribution which, in the resolved regime, is in excellent agreement with the one derived from catalogued sources, and then extends as dN/dS sim S^{-2} in the unresolved regime, down to fluxes of 5 cdot 10^{-12} cm^{-2} s^{-1}. The neural network architecture and the devised methodology have the flexibility to enable future analyses to study the energy dependence of the source-count distribution.

Visual counterfactual explanation (CF) methods modify image concepts, e.g, shape, to change a prediction to a predefined outcome while closely resembling the original query image. Unlike self-explainable models (SEMs) and heatmap techniques, they grant users the ability to examine hypothetical "what-if" scenarios. Previous CF methods either entail post-hoc training, limiting the balance between transparency and CF quality, or demand optimization during inference. To bridge the gap between transparent SEMs and CF methods, we introduce the GdVAE, a self-explainable model based on a conditional variational autoencoder (CVAE), featuring a Gaussian discriminant analysis (GDA) classifier and integrated CF explanations. Full transparency is achieved through a generative classifier that leverages class-specific prototypes for the downstream task and a closed-form solution for CFs in the latent space. The consistency of CFs is improved by regularizing the latent space with the explainer function. Extensive comparisons with existing approaches affirm the effectiveness of our method in producing high-quality CF explanations while preserving transparency. Code and models are public.

Future surveys such as the Legacy Survey of Space and Time (LSST) of the Vera C. Rubin Observatory will observe an order of magnitude more astrophysical transient events than any previous survey before. With this deluge of photometric data, it will be impossible for all such events to be classified by humans alone. Recent efforts have sought to leverage machine learning methods to tackle the challenge of astronomical transient classification, with ever improving success. Transformers are a recently developed deep learning architecture, first proposed for natural language processing, that have shown a great deal of recent success. In this work we develop a new transformer architecture, which uses multi-head self attention at its core, for general multi-variate time-series data. Furthermore, the proposed time-series transformer architecture supports the inclusion of an arbitrary number of additional features, while also offering interpretability. We apply the time-series transformer to the task of photometric classification, minimising the reliance of expert domain knowledge for feature selection, while achieving results comparable to state-of-the-art photometric classification methods. We achieve a logarithmic-loss of 0.507 on imbalanced data in a representative setting using data from the Photometric LSST Astronomical Time-Series Classification Challenge (PLAsTiCC). Moreover, we achieve a micro-averaged receiver operating characteristic area under curve of 0.98 and micro-averaged precision-recall area under curve of 0.87.

Foundation models have emerged as critical components in a variety of artificial intelligence applications, and showcase significant success in natural language processing and several other domains. Meanwhile, the field of graph machine learning is witnessing a paradigm transition from shallow methods to more sophisticated deep learning approaches. The capabilities of foundation models to generalize and adapt motivate graph machine learning researchers to discuss the potential of developing a new graph learning paradigm. This paradigm envisions models that are pre-trained on extensive graph data and can be adapted for various graph tasks. Despite this burgeoning interest, there is a noticeable lack of clear definitions and systematic analyses pertaining to this new domain. To this end, this article introduces the concept of Graph Foundation Models (GFMs), and offers an exhaustive explanation of their key characteristics and underlying technologies. We proceed to classify the existing work related to GFMs into three distinct categories, based on their dependence on graph neural networks and large language models. In addition to providing a thorough review of the current state of GFMs, this article also outlooks potential avenues for future research in this rapidly evolving domain.

With the advent of deep learning for computer vision tasks, the need for accurately labeled data in large volumes is vital for any application. The increasingly available large amounts of solar image data generated by the Solar Dynamic Observatory (SDO) mission make this domain particularly interesting for the development and testing of deep learning systems. The currently available labeled solar data is generated by the SDO mission's Feature Finding Team's (FFT) specialized detection modules. The major drawback of these modules is that detection and labeling is performed with a cadence of every 4 to 12 hours, depending on the module. Since SDO image data products are created every 10 seconds, there is a considerable gap between labeled observations and the continuous data stream. In order to address this shortcoming, we trained a deep regression network to track the movement of two solar phenomena: Active Region and Coronal Hole events. To the best of our knowledge, this is the first attempt of solar event tracking using a deep learning approach. Since it is impossible to fully evaluate the performance of the suggested event tracks with the original data (only partial ground truth is available), we demonstrate with several metrics the effectiveness of our approach. With the purpose of generating continuously labeled solar image data, we present this feasibility analysis showing the great promise of deep regression networks for this task.

Subject classification schemes are foundational to the organization, evaluation, and navigation of scientific knowledge. While expert-curated systems like Scopus provide widely used taxonomies, they often suffer from coarse granularity, subjectivity, and limited adaptability to emerging interdisciplinary fields. Data-driven alternatives based on citation networks show promise but lack rigorous, external validation against the semantic content of scientific literature. Here, we propose a novel quantitative framework that leverages classification tasks to evaluate the effectiveness of journal classification schemes. Using over 23 million paper abstracts, we demonstrate that labels derived from k-means clustering on Periodical2Vec (P2V)--a periodical embedding learned from paper-level citations--yield significantly higher classification performance than both Scopus and other data-driven baselines (e.g., citation, co-citation, and Node2Vec variants). By comparing journal partitions across classification schemes, two structural patterns emerge on the map of science: (1) the reorganization of disciplinary boundaries--splitting overly broad categories (e.g., "Medicine" into "Oncology", "Cardiology", and other specialties) while merging artificially fragmented ones (e.g., "Chemistry" and "Chemical Engineering"); and (2) the identification of coherent interdisciplinary clusters--such as "Biomedical Engineering", "Medical Ethics", and "Information Management"--that are dispersed across multiple categories but unified in citation space. These findings underscore that citation-derived periodical embeddings not only outperform traditional taxonomies in predictive validity but also offer a dynamic, fine-grained map of science that better reflects both the specialization and interdisciplinarity inherent in contemporary research.

Multi-task learning (MTL) is an inductive transfer mechanism designed to leverage useful information from multiple tasks to improve generalization performance compared to single-task learning. It has been extensively explored in traditional machine learning to address issues such as data sparsity and overfitting in neural networks. In this work, we apply MTL to problems in science and engineering governed by partial differential equations (PDEs). However, implementing MTL in this context is complex, as it requires task-specific modifications to accommodate various scenarios representing different physical processes. To this end, we present a multi-task deep operator network (MT-DeepONet) to learn solutions across various functional forms of source terms in a PDE and multiple geometries in a single concurrent training session. We introduce modifications in the branch network of the vanilla DeepONet to account for various functional forms of a parameterized coefficient in a PDE. Additionally, we handle parameterized geometries by introducing a binary mask in the branch network and incorporating it into the loss term to improve convergence and generalization to new geometry tasks. Our approach is demonstrated on three benchmark problems: (1) learning different functional forms of the source term in the Fisher equation; (2) learning multiple geometries in a 2D Darcy Flow problem and showcasing better transfer learning capabilities to new geometries; and (3) learning 3D parameterized geometries for a heat transfer problem and demonstrate the ability to predict on new but similar geometries. Our MT-DeepONet framework offers a novel approach to solving PDE problems in engineering and science under a unified umbrella based on synergistic learning that reduces the overall training cost for neural operators.

This article attempts answering the following problematic: How to model and classify energy consumption profiles over a large distributed territory to optimize the management of buildings' consumption? Doing case-by-case in depth auditing of thousands of buildings would require a massive amount of time and money as well as a significant number of qualified people. Thus, an automated method must be developed to establish a relevant and effective recommendations system. To answer this problematic, pretopology is used to model the sites' consumption profiles and a multi-criterion hierarchical classification algorithm, using the properties of pretopological space, has been developed in a Python library. To evaluate the results, three data sets are used: A generated set of dots of various sizes in a 2D space, a generated set of time series and a set of consumption time series of 400 real consumption sites from a French Energy company. On the point data set, the algorithm is able to identify the clusters of points using their position in space and their size as parameter. On the generated time series, the algorithm is able to identify the time series clusters using Pearson's correlation with an Adjusted Rand Index (ARI) of 1.

Matbench Discovery simulates the deployment of machine learning (ML) energy models in a high-throughput search for stable inorganic crystals. We address the disconnect between (i) thermodynamic stability and formation energy and (ii) in-domain vs out-of-distribution performance. Alongside this paper, we publish a Python package to aid with future model submissions and a growing online leaderboard with further insights into trade-offs between various performance metrics. To answer the question which ML methodology performs best at materials discovery, our initial release explores a variety of models including random forests, graph neural networks (GNN), one-shot predictors, iterative Bayesian optimizers and universal interatomic potentials (UIP). Ranked best-to-worst by their test set F1 score on thermodynamic stability prediction, we find CHGNet > M3GNet > MACE > ALIGNN > MEGNet > CGCNN > CGCNN+P > Wrenformer > BOWSR > Voronoi tessellation fingerprints with random forest. The top 3 models are UIPs, the winning methodology for ML-guided materials discovery, achieving F1 scores of ~0.6 for crystal stability classification and discovery acceleration factors (DAF) of up to 5x on the first 10k most stable predictions compared to dummy selection from our test set. We also highlight a sharp disconnect between commonly used global regression metrics and more task-relevant classification metrics. Accurate regressors are susceptible to unexpectedly high false-positive rates if those accurate predictions lie close to the decision boundary at 0 eV/atom above the convex hull where most materials are. Our results highlight the need to focus on classification metrics that actually correlate with improved stability hit rate.

Interpreting remote sensing imagery enables numerous downstream applications ranging from land-use planning to deforestation monitoring. Robustly classifying this data is challenging due to the Earth's geographic diversity. While many distinct satellite and aerial image classification datasets exist, there is yet to be a benchmark curated that suitably covers this diversity. In this work, we introduce SATellite ImageNet (SATIN), a metadataset curated from 27 existing remotely sensed datasets, and comprehensively evaluate the zero-shot transfer classification capabilities of a broad range of vision-language (VL) models on SATIN. We find SATIN to be a challenging benchmark-the strongest method we evaluate achieves a classification accuracy of 52.0%. We provide a https://satinbenchmark.github.io{public leaderboard} to guide and track the progress of VL models in this important domain.

The DC Optimal Power Flow (DC-OPF) problem is fundamental to power system operations, requiring rapid solutions for real-time grid management. While traditional optimization solvers provide optimal solutions, their computational cost becomes prohibitive for large-scale systems requiring frequent recalculations. Machine learning approaches offer promise for acceleration but often struggle with constraint satisfaction and cost optimality. We present a novel two-stage learning framework that combines physics-informed Graph Neural Networks (GNNs) with Continuous Flow Matching (CFM) for solving DC-OPF problems. Our approach embeds fundamental physical principles--including economic dispatch optimality conditions, Kirchhoff's laws, and Karush-Kuhn-Tucker (KKT) complementarity conditions--directly into the training objectives. The first stage trains a GNN to produce feasible initial solutions by learning from physics-informed losses that encode power system constraints. The second stage employs CFM, a simulation-free continuous normalizing flow technique, to refine these solutions toward optimality through learned vector field regression. Evaluated on the IEEE 30-bus system across five load scenarios ranging from 70\% to 130\% nominal load, our method achieves near-optimal solutions with cost gaps below 0.1\% for nominal loads and below 3\% for extreme conditions, while maintaining 100\% feasibility. Our framework bridges the gap between fast but approximate neural network predictions and optimal but slow numerical solvers, offering a practical solution for modern power systems with high renewable penetration requiring frequent dispatch updates.

We develop information geometric techniques to understand the representations learned by deep networks when they are trained on different tasks using supervised, meta-, semi-supervised and contrastive learning. We shed light on the following phenomena that relate to the structure of the space of tasks: (1) the manifold of probabilistic models trained on different tasks using different representation learning methods is effectively low-dimensional; (2) supervised learning on one task results in a surprising amount of progress even on seemingly dissimilar tasks; progress on other tasks is larger if the training task has diverse classes; (3) the structure of the space of tasks indicated by our analysis is consistent with parts of the Wordnet phylogenetic tree; (4) episodic meta-learning algorithms and supervised learning traverse different trajectories during training but they fit similar models eventually; (5) contrastive and semi-supervised learning methods traverse trajectories similar to those of supervised learning. We use classification tasks constructed from the CIFAR-10 and Imagenet datasets to study these phenomena.

Accurate determination of qubit parameters is critical for the successful implementation of quantum information and computation applications. In solid state systems, the parameters of individual qubits vary across the entire system, requiring time consuming measurements and manual fitting processes for characterization. Recent developed superconducting qubits, such as fluxonium or 0-pi qubits, offer improved fidelity operations but exhibit a more complex physical and spectral structure, complicating parameter extraction. In this work, we propose a machine learning (ML)based methodology for the automatic and accurate characterization of fluxonium qubit parameters. Our approach utilized the energy spectrum calculated by a model Hamiltonian with various magnetic fields, as training data for the ML model. The output consists of the essential fluxonium qubit energy parameters, EJ, EC, and EL in Hamiltonian. The ML model achieves remarkable accuracy (with an average accuracy 95.6%) as an initial guess, enabling the development of an automatic fitting procedure for direct application to realistic experimental data. Moreover, we demonstrate that similar accuracy can be retrieved even when the input experimental spectrum is noisy or incomplete, highlighting the model robustness. These results suggest that our automated characterization method, based on a transfer learning approach, provides a reliable framework for future extensions to other superconducting qubits or different solid-state systems. Ultimately, we believe this methodology paves the way for the construction of large-scale quantum processors.

FSampler is a training free, sampler agnostic execution layer that accelerates diffusion sampling by reducing the number of function evaluations (NFE). FSampler maintains a short history of denoising signals (epsilon) from recent real model calls and extrapolates the next epsilon using finite difference predictors at second order, third order, or fourth order, falling back to lower order when history is insufficient. On selected steps the predicted epsilon substitutes the model call while keeping each sampler's update rule unchanged. Predicted epsilons are validated for finiteness and magnitude; a learning stabilizer rescales predictions on skipped steps to correct drift, and an optional gradient estimation stabilizer compensates local curvature. Protected windows, periodic anchors, and a cap on consecutive skips bound deviation over the trajectory. Operating at the sampler level, FSampler integrates with Euler/DDIM, DPM++ 2M/2S, LMS/AB2, and RES family exponential multistep methods and drops into standard workflows. FLUX.1 dev, Qwen Image, and Wan 2.2, FSampler reduces time by 8 to 22% and model calls by 15 to 25% at high fidelity (Structural Similarity Index (SSIM) 0.95 to 0.99), without altering sampler formulas. With an aggressive adaptive gate, reductions can reach 45 to 50% fewer model calls at lower fidelity (SSIM 0.73 to 0.74).

Physics-informed neural networks (PINNs) leverage neural-networks to find the solutions of partial differential equation (PDE)-constrained optimization problems with initial conditions and boundary conditions as soft constraints. These soft constraints are often considered to be the sources of the complexity in the training phase of PINNs. Here, we demonstrate that the challenge of training (i) persists even when the boundary conditions are strictly enforced, and (ii) is closely related to the Kolmogorov n-width associated with problems demonstrating transport, convection, traveling waves, or moving fronts. Given this realization, we describe the mechanism underlying the training schemes such as those used in eXtended PINNs (XPINN), curriculum regularization, and sequence-to-sequence learning. For an important category of PDEs, i.e., governed by non-linear convection-diffusion equation, we propose reformulating PINNs on a Lagrangian frame of reference, i.e., LPINNs, as a PDE-informed solution. A parallel architecture with two branches is proposed. One branch solves for the state variables on the characteristics, and the second branch solves for the low-dimensional characteristics curves. The proposed architecture conforms to the causality innate to the convection, and leverages the direction of travel of the information in the domain. Finally, we demonstrate that the loss landscapes of LPINNs are less sensitive to the so-called "complexity" of the problems, compared to those in the traditional PINNs in the Eulerian framework.

This paper presents the FlowTransformer framework, a novel approach for implementing transformer-based Network Intrusion Detection Systems (NIDSs). FlowTransformer leverages the strengths of transformer models in identifying the long-term behaviour and characteristics of networks, which are often overlooked by most existing NIDSs. By capturing these complex patterns in network traffic, FlowTransformer offers a flexible and efficient tool for researchers and practitioners in the cybersecurity community who are seeking to implement NIDSs using transformer-based models. FlowTransformer allows the direct substitution of various transformer components, including the input encoding, transformer, classification head, and the evaluation of these across any flow-based network dataset. To demonstrate the effectiveness and efficiency of the FlowTransformer framework, we utilise it to provide an extensive evaluation of various common transformer architectures, such as GPT 2.0 and BERT, on three commonly used public NIDS benchmark datasets. We provide results for accuracy, model size and speed. A key finding of our evaluation is that the choice of classification head has the most significant impact on the model performance. Surprisingly, Global Average Pooling, which is commonly used in text classification, performs very poorly in the context of NIDS. In addition, we show that model size can be reduced by over 50\%, and inference and training times improved, with no loss of accuracy, by making specific choices of input encoding and classification head instead of other commonly used alternatives.

We demonstrate several techniques to encourage practical uses of neural networks for fluid flow estimation. In the present paper, three perspectives which are remaining challenges for applications of machine learning to fluid dynamics are considered: 1. interpretability of machine-learned results, 2. bulking out of training data, and 3. generalizability of neural networks. For the interpretability, we first demonstrate two methods to observe the internal procedure of neural networks, i.e., visualization of hidden layers and application of gradient-weighted class activation mapping (Grad-CAM), applied to canonical fluid flow estimation problems -- (1) drag coefficient estimation of a cylinder wake and (2) velocity estimation from particle images. It is exemplified that both approaches can successfully tell us evidences of the great capability of machine learning-based estimations. We then utilize some techniques to bulk out training data for super-resolution analysis and temporal prediction for cylinder wake and NOAA sea surface temperature data to demonstrate that sufficient training of neural networks with limited amount of training data can be achieved for fluid flow problems. The generalizability of machine learning model is also discussed by accounting for the perspectives of inter/extrapolation of training data, considering super-resolution of wakes behind two parallel cylinders. We find that various flow patterns generated by complex interaction between two cylinders can be reconstructed well, even for the test configurations regarding the distance factor. The present paper can be a significant step toward practical uses of neural networks for both laminar and turbulent flow problems.

Text-to-image diffusion models have achieved remarkable progress in recent years. However, training models for high-resolution image generation remains challenging, particularly when training data and computational resources are limited. In this paper, we explore this practical problem from two key perspectives: data and parameter efficiency, and propose a set of key guidelines for ultra-resolution adaptation termed URAE. For data efficiency, we theoretically and empirically demonstrate that synthetic data generated by some teacher models can significantly promote training convergence. For parameter efficiency, we find that tuning minor components of the weight matrices outperforms widely-used low-rank adapters when synthetic data are unavailable, offering substantial performance gains while maintaining efficiency. Additionally, for models leveraging guidance distillation, such as FLUX, we show that disabling classifier-free guidance, i.e., setting the guidance scale to 1 during adaptation, is crucial for satisfactory performance. Extensive experiments validate that URAE achieves comparable 2K-generation performance to state-of-the-art closed-source models like FLUX1.1 [Pro] Ultra with only 3K samples and 2K iterations, while setting new benchmarks for 4K-resolution generation. Codes are available https://github.com/Huage001/URAE{here}.

Graph Neural Networks (GNNs) are able to achieve high classification accuracy on many important real world datasets, but provide no rigorous notion of predictive uncertainty. Quantifying the confidence of GNN models is difficult due to the dependence between datapoints induced by the graph structure. We leverage recent advances in conformal prediction to construct prediction sets for node classification in inductive learning scenarios. We do this by taking an existing approach for conformal classification that relies on exchangeable data and modifying it by appropriately weighting the conformal scores to reflect the network structure. We show through experiments on standard benchmark datasets using popular GNN models that our approach provides tighter and better calibrated prediction sets than a naive application of conformal prediction.

Rectified flow models have emerged as a dominant approach in image generation, showcasing impressive capabilities in high-quality image synthesis. However, despite their effectiveness in visual generation, rectified flow models often struggle with disentangled editing of images. This limitation prevents the ability to perform precise, attribute-specific modifications without affecting unrelated aspects of the image. In this paper, we introduce FluxSpace, a domain-agnostic image editing method leveraging a representation space with the ability to control the semantics of images generated by rectified flow transformers, such as Flux. By leveraging the representations learned by the transformer blocks within the rectified flow models, we propose a set of semantically interpretable representations that enable a wide range of image editing tasks, from fine-grained image editing to artistic creation. This work offers a scalable and effective image editing approach, along with its disentanglement capabilities.

Characteristic classes, which are abstract topological invariants associated with vector bundles, have become an important notion in modern physics with surprising real-world consequences. As a representative example, the incredible properties of topological insulators, which are insulators in their bulk but conductors on their surface, can be completely characterized by a specific characteristic class associated with their electronic band structure, the first Chern class. Given their importance to next generation computing and the computational challenge of calculating them using first-principles approaches, there is a need to develop machine learning approaches to predict the characteristic classes associated with a material system. To aid in this program we introduce the {Haldane bundle dataset}, which consists of synthetically generated complex line bundles on the 2-torus. We envision this dataset, which is not as challenging as noisy and sparsely measured real-world datasets but (as we show) still difficult for off-the-shelf architectures, to be a testing ground for architectures that incorporate the rich topological and geometric priors underlying characteristic classes.

In recent years, there has been a rapidly expanding focus on explaining the predictions made by black-box AI systems that handle image and tabular data. However, considerably less attention has been paid to explaining the predictions of opaque AI systems handling time series data. In this paper, we advance a novel model-agnostic, case-based technique -- Native Guide -- that generates counterfactual explanations for time series classifiers. Given a query time series, T_{q}, for which a black-box classification system predicts class, c, a counterfactual time series explanation shows how T_{q} could change, such that the system predicts an alternative class, c'. The proposed instance-based technique adapts existing counterfactual instances in the case-base by highlighting and modifying discriminative areas of the time series that underlie the classification. Quantitative and qualitative results from two comparative experiments indicate that Native Guide generates plausible, proximal, sparse and diverse explanations that are better than those produced by key benchmark counterfactual methods.

Aerial scene classification, which aims to automatically label an aerial image with a specific semantic category, is a fundamental problem for understanding high-resolution remote sensing imagery. In recent years, it has become an active task in remote sensing area and numerous algorithms have been proposed for this task, including many machine learning and data-driven approaches. However, the existing datasets for aerial scene classification like UC-Merced dataset and WHU-RS19 are with relatively small sizes, and the results on them are already saturated. This largely limits the development of scene classification algorithms. This paper describes the Aerial Image Dataset (AID): a large-scale dataset for aerial scene classification. The goal of AID is to advance the state-of-the-arts in scene classification of remote sensing images. For creating AID, we collect and annotate more than ten thousands aerial scene images. In addition, a comprehensive review of the existing aerial scene classification techniques as well as recent widely-used deep learning methods is given. Finally, we provide a performance analysis of typical aerial scene classification and deep learning approaches on AID, which can be served as the baseline results on this benchmark.

Global climate models typically operate at a grid resolution of hundreds of kilometers and fail to resolve atmospheric mesoscale processes, e.g., clouds, precipitation, and gravity waves (GWs). Model representation of these processes and their sources is essential to the global circulation and planetary energy budget, but subgrid scale contributions from these processes are often only approximately represented in models using parameterizations. These parameterizations are subject to approximations and idealizations, which limit their capability and accuracy. The most drastic of these approximations is the "single-column approximation" which completely neglects the horizontal evolution of these processes, resulting in key biases in current climate models. With a focus on atmospheric GWs, we present the first-ever global simulation of atmospheric GW fluxes using machine learning (ML) models trained on the WINDSET dataset to emulate global GW emulation in the atmosphere, as an alternative to traditional single-column parameterizations. Using an Attention U-Net-based architecture trained on globally resolved GW momentum fluxes, we illustrate the importance and effectiveness of global nonlocality, when simulating GWs using data-driven schemes.

In precision agriculture, the detection and recognition of insects play an essential role in the ability of crops to grow healthy and produce a high-quality yield. The current machine vision model requires a large volume of data to achieve high performance. However, there are approximately 5.5 million different insect species in the world. None of the existing insect datasets can cover even a fraction of them due to varying geographic locations and acquisition costs. In this paper, we introduce a novel ``Insect-1M'' dataset, a game-changing resource poised to revolutionize insect-related foundation model training. Covering a vast spectrum of insect species, our dataset, including 1 million images with dense identification labels of taxonomy hierarchy and insect descriptions, offers a panoramic view of entomology, enabling foundation models to comprehend visual and semantic information about insects like never before. Then, to efficiently establish an Insect Foundation Model, we develop a micro-feature self-supervised learning method with a Patch-wise Relevant Attention mechanism capable of discerning the subtle differences among insect images. In addition, we introduce Description Consistency loss to improve micro-feature modeling via insect descriptions. Through our experiments, we illustrate the effectiveness of our proposed approach in insect modeling and achieve State-of-the-Art performance on standard benchmarks of insect-related tasks. Our Insect Foundation Model and Dataset promise to empower the next generation of insect-related vision models, bringing them closer to the ultimate goal of precision agriculture.

We describe a method, based on Jennifer Nado's proposal for classification procedures as targets of conceptual engineering, that implements such procedures by prompting a large language model. We apply this method, using data from the Wikidata knowledge graph, to evaluate stipulative definitions related to two paradigmatic conceptual engineering projects: the International Astronomical Union's redefinition of PLANET and Haslanger's ameliorative analysis of WOMAN. Our results show that classification procedures built using our approach can exhibit good classification performance and, through the generation of rationales for their classifications, can contribute to the identification of issues in either the definitions or the data against which they are being evaluated. We consider objections to this method, and discuss implications of this work for three aspects of theory and practice of conceptual engineering: the definition of its targets, empirical methods for their investigation, and their practical roles. The data and code used for our experiments, together with the experimental results, are available in a Github repository.

Predicting flows that occur both through and around porous bodies is challenging due to coupled physics across fluid and porous regions and the need to generalize across diverse geometries and boundary conditions. We address this problem using two Physics Informed learning approaches: Physics Informed PointNets (PIPN) and Physics Informed Geometry Aware Neural Operator (P-IGANO). We enforce the incompressible Navier Stokes equations in the free-flow region and a Darcy Forchheimer extension in the porous region within a unified loss and condition the networks on geometry and material parameters. Datasets are generated with OpenFOAM on 2D ducts containing porous obstacles and on 3D windbreak scenarios with tree canopies and buildings. We first verify the pipeline via the method of manufactured solutions, then assess generalization to unseen shapes, and for PI-GANO, to variable boundary conditions and parameter settings. The results show consistently low velocity and pressure errors in both seen and unseen cases, with accurate reproduction of the wake structures. Performance degrades primarily near sharp interfaces and in regions with large gradients. Overall, the study provides a first systematic evaluation of PIPN/PI-GANO for simultaneous through-and-around porous flows and shows their potential to accelerate design studies without retraining per geometry.

Pollinator insects such as honeybees and bumblebees are vital to global food production and ecosystem stability, yet their populations are declining due to increasing anthropogenic and environmental stressors. To support scalable, automated pollinator monitoring, we introduce BuzzSet, a new large-scale dataset of high-resolution pollinator images collected in real agricultural field conditions. BuzzSet contains 7856 manually verified and labeled images, with over 8000 annotated instances across three classes: honeybees, bumblebees, and unidentified insects. Initial annotations were generated using a YOLOv12 model trained on external data and refined via human verification using open-source labeling tools. All images were preprocessed into 256~times~256 tiles to improve the detection of small insects. We provide strong baselines using the RF-DETR transformer-based object detector. The model achieves high F1-scores of 0.94 and 0.92 for honeybee and bumblebee classes, respectively, with confusion matrix results showing minimal misclassification between these categories. The unidentified class remains more challenging due to label ambiguity and lower sample frequency, yet still contributes useful insights for robustness evaluation. Overall detection quality is strong, with a best mAP@0.50 of 0.559. BuzzSet offers a valuable benchmark for small object detection, class separation under label noise, and ecological computer vision.

Modern neural networks rely on generic activation functions (ReLU, GELU, SiLU) that ignore the mathematical structure inherent in scientific data. We propose Neuro-Symbolic Activation Discovery, a framework that uses Genetic Programming to extract interpretable mathematical formulas from data and inject them as custom activation functions. Our key contribution is the discovery of a Geometric Transfer phenomenon: activation functions learned from particle physics data successfully generalize to ecological classification, outperforming standard activations (ReLU, GELU, SiLU) in both accuracy and parameter efficiency. On the Forest Cover dataset, our Hybrid Transfer model achieves 82.4% accuracy with only 5,825 parameters, compared to 83.4% accuracy requiring 31,801 parameters for a conventional heavy network -- a 5.5x parameter reduction with only 1% accuracy loss. We introduce a Parameter Efficiency Score (E_{param} = AUC / log_{10}(Params)) and demonstrate that lightweight hybrid architectures consistently achieve 18-21% higher efficiency than over-parameterized baselines. Crucially, we establish boundary conditions: while Physics to Ecology transfer succeeds (both involve continuous Euclidean measurements), Physics to Text transfer fails (discrete word frequencies require different mathematical structures). Our work opens pathways toward domain-specific activation libraries for efficient scientific machine learning.

In this study, a novel machine learning approach was used to classify three types of synoptic weather events in Taiwan area from 2001 to 2010. We used reanalysis data with three machine learning algorithms to recognize weather systems and evaluated their performance. Overall, the classifiers successfully identified 52-83% of weather events (hit rate), which is higher than the performance of traditional objective methods. The results showed that the machine learning approach gave low false alarm rate in general, while the support vector machine (SVM) with more principal components of reanalysis data had higher hit rate on all tested weather events. The sensitivity tests of grid data resolution indicated that the differences between the high- and low-resolution datasets are limited, which implied that the proposed method can achieve reasonable performance in weather forecasting with minimal resources. By identifying daily weather systems in historical reanalysis data, this method can be used to study long-term weather changes, to monitor climatological-scale variations, and to provide a better estimate of climate projections. Furthermore, this method can also serve as an alternative to model output statistics and potentially be used for synoptic weather forecasting.

Super-resolution (SR) advances astronomical imaging by enabling cost-effective high-resolution capture, crucial for detecting faraway celestial objects and precise structural analysis. However, existing datasets for astronomical SR (ASR) exhibit three critical limitations: flux inconsistency, object-crop setting, and insufficient data diversity, significantly impeding ASR development. We propose STAR, a large-scale astronomical SR dataset containing 54,738 flux-consistent star field image pairs covering wide celestial regions. These pairs combine Hubble Space Telescope high-resolution observations with physically faithful low-resolution counterparts generated through a flux-preserving data generation pipeline, enabling systematic development of field-level ASR models. To further empower the ASR community, STAR provides a novel Flux Error (FE) to evaluate SR models in physical view. Leveraging this benchmark, we propose a Flux-Invariant Super Resolution (FISR) model that could accurately infer the flux-consistent high-resolution images from input photometry, suppressing several SR state-of-the-art methods by 24.84% on a novel designed flux consistency metric, showing the priority of our method for astrophysics. Extensive experiments demonstrate the effectiveness of our proposed method and the value of our dataset. Code and models are available at https://github.com/GuoCheng12/STAR.

Global climate models parameterize a range of atmospheric-oceanic processes like gravity waves, clouds, moist convection, and turbulence that cannot be sufficiently resolved. These subgrid-scale closures for unresolved processes are a leading source of model uncertainty. Here, we present a new approach to developing machine learning parameterizations of small-scale climate processes by fine-tuning a pre-trained AI foundation model (FM). FMs are largely unexplored in climate research. A pre-trained encoder-decoder from a 2.3 billion parameter FM (NASA and IBM Research's Prithvi WxC) -- which contains a latent probabilistic representation of atmospheric evolution -- is fine-tuned (or reused) to create a deep learning parameterization for atmospheric gravity waves (GWs). The parameterization captures GW effects for a coarse-resolution climate model by learning the fluxes from an atmospheric reanalysis with 10 times finer resolution. A comparison of monthly averages and instantaneous evolution with a machine learning model baseline (an Attention U-Net) reveals superior predictive performance of the FM parameterization throughout the atmosphere, even in regions excluded from pre-training. This performance boost is quantified using the Hellinger distance, which is 0.11 for the baseline and 0.06 for the fine-tuned model. Our findings emphasize the versatility and reusability of FMs, which could be used to accomplish a range of atmosphere- and climate-related applications, leading the way for the creation of observations-driven and physically accurate parameterizations for more earth-system processes.

The conventional wisdom behind learning deep classification models is to focus on bad-classified examples and ignore well-classified examples that are far from the decision boundary. For instance, when training with cross-entropy loss, examples with higher likelihoods (i.e., well-classified examples) contribute smaller gradients in back-propagation. However, we theoretically show that this common practice hinders representation learning, energy optimization, and margin growth. To counteract this deficiency, we propose to reward well-classified examples with additive bonuses to revive their contribution to the learning process. This counterexample theoretically addresses these three issues. We empirically support this claim by directly verifying the theoretical results or significant performance improvement with our counterexample on diverse tasks, including image classification, graph classification, and machine translation. Furthermore, this paper shows that we can deal with complex scenarios, such as imbalanced classification, OOD detection, and applications under adversarial attacks because our idea can solve these three issues. Code is available at: https://github.com/lancopku/well-classified-examples-are-underestimated.

Unveiling feeder topologies from data is of paramount importance to advance situational awareness and proper utilization of smart resources in power distribution grids. This tutorial summarizes, contrasts, and establishes useful links between recent works on topology identification and detection schemes that have been proposed for power distribution grids. The primary focus is to highlight methods that overcome the limited availability of measurement devices in distribution grids, while enhancing topology estimates using conservation laws of power-flow physics and structural properties of feeders. Grid data from phasor measurement units or smart meters can be collected either passively in the traditional way, or actively, upon actuating grid resources and measuring the feeder's voltage response. Analytical claims on feeder identifiability and detectability are reviewed under disparate meter placement scenarios. Such topology learning claims can be attained exactly or approximately so via algorithmic solutions with various levels of computational complexity, ranging from least-squares fits to convex optimization problems, and from polynomial-time searches over graphs to mixed-integer programs. Although the emphasis is on radial single-phase feeders, extensions to meshed and/or multiphase circuits are sometimes possible and discussed. This tutorial aspires to provide researchers and engineers with knowledge of the current state-of-the-art in tractable distribution grid learning and insights into future directions of work.

Few-step diffusion or flow-based generative models typically distill a velocity-predicting teacher into a student that predicts a shortcut towards denoised data. This format mismatch has led to complex distillation procedures that often suffer from a quality-diversity trade-off. To address this, we propose policy-based flow models (pi-Flow). pi-Flow modifies the output layer of a student flow model to predict a network-free policy at one timestep. The policy then produces dynamic flow velocities at future substeps with negligible overhead, enabling fast and accurate ODE integration on these substeps without extra network evaluations. To match the policy's ODE trajectory to the teacher's, we introduce a novel imitation distillation approach, which matches the policy's velocity to the teacher's along the policy's trajectory using a standard ell_2 flow matching loss. By simply mimicking the teacher's behavior, pi-Flow enables stable and scalable training and avoids the quality-diversity trade-off. On ImageNet 256^2, it attains a 1-NFE FID of 2.85, outperforming MeanFlow of the same DiT architecture. On FLUX.1-12B and Qwen-Image-20B at 4 NFEs, pi-Flow achieves substantially better diversity than state-of-the-art few-step methods, while maintaining teacher-level quality.

We present 1.58-bit FLUX, the first successful approach to quantizing the state-of-the-art text-to-image generation model, FLUX.1-dev, using 1.58-bit weights (i.e., values in {-1, 0, +1}) while maintaining comparable performance for generating 1024 x 1024 images. Notably, our quantization method operates without access to image data, relying solely on self-supervision from the FLUX.1-dev model. Additionally, we develop a custom kernel optimized for 1.58-bit operations, achieving a 7.7x reduction in model storage, a 5.1x reduction in inference memory, and improved inference latency. Extensive evaluations on the GenEval and T2I Compbench benchmarks demonstrate the effectiveness of 1.58-bit FLUX in maintaining generation quality while significantly enhancing computational efficiency.

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.

The Legacy Survey of Space and Time (LSST) at the Vera C. Rubin Observatory will capture light curves (LCs) for 10 billion sources and produce millions of transient candidates per night, necessitating scalable, accurate, and efficient classification. To prepare the community for this scale of data, the Extended LSST Astronomical Time-Series Classification Challenge (ELAsTiCC) sought to simulate a diversity of LSST-like time-domain events. Using a small transformer-based model and refined light curve encoding logic, we present a new state of the art classification performance on ELAsTiCC, with 71.8% F1 on LC-only classifications, and 89.8% F1 on LC+metadata classifications. Previous state of the art was 65.5% F1 for LC-only, and for LC+metadata, 84% F1 with a different setup and 83.5% F1 with a directly comparable setup. Our model outperforms previous state-of-the-art models for fine-grained early detection at all time cutoffs, which should help prioritize candidate transients for follow-up observations. We demonstrate label-efficient training by removing labels from 90% of the training data (chosen uniformly at random), and compensate by leveraging regularization, bootstrap ensembling, and unsupervised pretraining. Even with only 10% of the labeled data, we achieve 67.4% F1 on LC-only and 87.1% F1 on LC+metadata, validating an approach that should help mitigate synthetic and observational data drift, and improve classification on tasks with less labeled data. We find that our base model is poorly calibrated via reliability diagrams, and correct it at a minimal cost to overall performance, enabling selections by classification precision. Finally, our GPU-optimized implementation is 9x faster than other state-of-the-art ELAsTiCC models, and can run inference at ~33000 LCs/s on a consumer-grade GPU, making it suitable for large-scale applications, and less expensive to train.

Warm-sector heavy rainfall often occurs along the coast of South China, and it is usually localized and long-lasting, making it challenging to predict. High-resolution numerical weather prediction (NWP) models are increasingly used to better resolve topographic features and forecast such high-impact weather events. However, when the grid spacing becomes comparable to the length scales of convection, known as the gray zone, the turbulent eddies in the atmospheric boundary layer are only partially resolved and parameterized to some extent. Whether using a convection parameterization (CP) scheme in the gray zone remains controversial. Scale-aware CP schemes are developed to enhance the representation of convective transport within the gray zone. The multi-scale Kain-Fritsch (MSKF) scheme includes modifications that allow for its effective implementation at a grid resolution as high as 2 km. In recent years, there has been an increasing application of machine learning (ML) models to various domains of atmospheric sciences, including the replacement of physical parameterizations with ML models. This work proposes a multi-output bidirectional long short-term memory (Bi-LSTM) model as a replace the scale-aware MSKF CP scheme. The Weather Research and Forecast (WRF) model is used to generate training and testing data over South China at a horizontal resolution of 5 km. Furthermore, the WRF model is coupled with the ML based CP scheme and compared with WRF simulations with original MSKF scheme. The results demonstrate that the Bi-LSTM model can achieve high accuracy, indicating the potential use of ML models to substitute the MSKF scheme in the gray zone.

This paper presents a new challenging information extraction task in the domain of materials science. We develop an annotation scheme for marking information on experiments related to solid oxide fuel cells in scientific publications, such as involved materials and measurement conditions. With this paper, we publish our annotation guidelines, as well as our SOFC-Exp corpus consisting of 45 open-access scholarly articles annotated by domain experts. A corpus and an inter-annotator agreement study demonstrate the complexity of the suggested named entity recognition and slot filling tasks as well as high annotation quality. We also present strong neural-network based models for a variety of tasks that can be addressed on the basis of our new data set. On all tasks, using BERT embeddings leads to large performance gains, but with increasing task complexity, adding a recurrent neural network on top seems beneficial. Our models will serve as competitive baselines in future work, and analysis of their performance highlights difficult cases when modeling the data and suggests promising research directions.

Recent advances in AI weather forecasting have led to the emergence of so-called "foundation models", typically defined by expensive pretraining and minimal fine-tuning for downstream tasks. However, in the natural sciences, a desirable foundation model should also encode meaningful statistical relationships between the underlying physical variables. This study evaluates the performance of the state-of-the-art Aurora foundation model in predicting hydrological variables, which were not considered during pretraining. We introduce a lightweight approach using shallow decoders trained on the latent representations of the pretrained model to predict these new variables. As a baseline, we compare this to fine-tuning the full model, which allows further optimization of the latent space while incorporating new variables into both inputs and outputs. The decoder-based approach requires 50% less training time and 35% less memory, while achieving strong accuracy across various hydrological variables and preserving desirable properties of the foundation model, such as autoregressive stability. Notably, decoder accuracy depends on the physical correlation between the new variables and those used during pretraining, indicating that Aurora's latent space captures meaningful physical relationships. In this sense, we argue that an important quality metric for foundation models in Earth sciences is their ability to be extended to new variables without a full fine-tuning. This provides a new perspective for making foundation models more accessible to communities with limited computational resources, while supporting broader adoption in Earth sciences.

Air pollution poses a significant threat to public health and well-being, particularly in urban areas. This study introduces a series of machine-learning models that integrate data from the Sentinel-5P satellite, meteorological conditions, and topological characteristics to forecast future levels of five major pollutants. The investigation delineates the process of data collection, detailing the combination of diverse data sources utilized in the study. Through experiments conducted in the Milan metropolitan area, the models demonstrate their efficacy in predicting pollutant levels for the forthcoming day, achieving a percentage error of around 30%. The proposed models are advantageous as they are independent of monitoring stations, facilitating their use in areas without existing infrastructure. Additionally, we have released the collected dataset to the public, aiming to stimulate further research in this field. This research contributes to advancing our understanding of urban air quality dynamics and emphasizes the importance of amalgamating satellite, meteorological, and topographical data to develop robust pollution forecasting models.

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent manifolds of arbitrary topology, we propose to learn a mixture model of variational autoencoders. Here, every encoder-decoder pair represents one chart of a manifold. We propose a loss function for maximum likelihood estimation of the model weights and choose an architecture that provides us the analytical expression of the charts and of their inverses. Once the manifold is learned, we use it for solving inverse problems by minimizing a data fidelity term restricted to the learned manifold. To solve the arising minimization problem we propose a Riemannian gradient descent algorithm on the learned manifold. We demonstrate the performance of our method for low-dimensional toy examples as well as for deblurring and electrical impedance tomography on certain image manifolds.

Recent advances in diffusion-based generative models have demonstrated significant potential in augmenting scarce datasets for object detection tasks. Nevertheless, most recent models rely on resource-intensive full fine-tuning of large-scale diffusion models, requiring enterprise-grade GPUs (e.g., NVIDIA V100) and thousands of synthetic images. To address these limitations, we propose Flux LoRA Augmentation (FLORA), a lightweight synthetic data generation pipeline. Our approach uses the Flux 1.1 Dev diffusion model, fine-tuned exclusively through Low-Rank Adaptation (LoRA). This dramatically reduces computational requirements, enabling synthetic dataset generation with a consumer-grade GPU (e.g., NVIDIA RTX 4090). We empirically evaluate our approach on seven diverse object detection datasets. Our results demonstrate that training object detectors with just 500 synthetic images generated by our approach yields superior detection performance compared to models trained on 5000 synthetic images from the ODGEN baseline, achieving improvements of up to 21.3% in mAP@.50:.95. This work demonstrates that it is possible to surpass state-of-the-art performance with far greater efficiency, as FLORA achieves superior results using only 10% of the data and a fraction of the computational cost. This work demonstrates that a quality and efficiency-focused approach is more effective than brute-force generation, making advanced synthetic data creation more practical and accessible for real-world scenarios.

Multivariate time series classification (MTSC) has attracted significant research attention due to its diverse real-world applications. Recently, exploiting transformers for MTSC has achieved state-of-the-art performance. However, existing methods focus on generic features, providing a comprehensive understanding of data, but they ignore class-specific features crucial for learning the representative characteristics of each class. This leads to poor performance in the case of imbalanced datasets or datasets with similar overall patterns but differing in minor class-specific details. In this paper, we propose a novel Shapelet Transformer (ShapeFormer), which comprises class-specific and generic transformer modules to capture both of these features. In the class-specific module, we introduce the discovery method to extract the discriminative subsequences of each class (i.e. shapelets) from the training set. We then propose a Shapelet Filter to learn the difference features between these shapelets and the input time series. We found that the difference feature for each shapelet contains important class-specific features, as it shows a significant distinction between its class and others. In the generic module, convolution filters are used to extract generic features that contain information to distinguish among all classes. For each module, we employ the transformer encoder to capture the correlation between their features. As a result, the combination of two transformer modules allows our model to exploit the power of both types of features, thereby enhancing the classification performance. Our experiments on 30 UEA MTSC datasets demonstrate that ShapeFormer has achieved the highest accuracy ranking compared to state-of-the-art methods. The code is available at https://github.com/xuanmay2701/shapeformer.

Classification is one of the most widespread tasks in AI applications, serving often as the first step in filtering, sorting, and categorizing data. Since modern AI systems must handle large volumes of input data and early pipeline stages can propagate errors downstream, achieving high efficiency and accuracy is critical. Moreover, classification requirements can change dynamically based on user needs, necessitating models with strong zero-shot capabilities. While generative LLMs have become mainstream for zero-shot classification due to their versatility, they suffer from inconsistent instruction following and computational inefficiency. Cross-encoders, commonly used as rerankers in RAG pipelines, face a different bottleneck: they must process text-label pairs sequentially, significantly reducing efficiency with large label sets. Embedding-based approaches offer good efficiency but struggle with complex scenarios involving logical and semantic constraints. We propose GLiClass, a novel method that adapts the GLiNER architecture for sequence classification tasks. Our approach achieves strong accuracy and efficiency comparable to embedding-based methods, while maintaining the flexibility needed for zero-shot and few-shot learning scenarios. Additionally, we adapted proximal policy optimization (PPO) for multi-label text classification, enabling training classifiers in data-sparse conditions or from human feedback.

Electrification of vehicles is a potential way of reducing fossil fuel usage and thus lessening environmental pollution. Electric Vehicles (EVs) of various types for different transport modes (including air, water, and land) are evolving. Moreover, different EV user groups (commuters, commercial or domestic users, drivers) may use different charging infrastructures (public, private, home, and workplace) at various times. Therefore, usage patterns and energy demand are very stochastic. Characterizing and forecasting the charging demand of these diverse EV usage profiles is essential in preventing power outages. Previously developed data-driven load models are limited to specific use cases and locations. None of these models are simultaneously adaptive enough to transfer knowledge of day-ahead forecasting among EV charging sites of diverse locations, trained with limited data, and cost-effective. This article presents a location-based load forecasting of EV charging sites using a deep Multi-Quantile Temporal Convolutional Network (MQ-TCN) to overcome the limitations of earlier models. We conducted our experiments on data from four charging sites, namely Caltech, JPL, Office-1, and NREL, which have diverse EV user types like students, full-time and part-time employees, random visitors, etc. With a Prediction Interval Coverage Probability (PICP) score of 93.62\%, our proposed deep MQ-TCN model exhibited a remarkable 28.93\% improvement over the XGBoost model for a day-ahead load forecasting at the JPL charging site. By transferring knowledge with the inductive Transfer Learning (TL) approach, the MQ-TCN model achieved a 96.88\% PICP score for the load forecasting task at the NREL site using only two weeks of data.

This study focuses on forecasting major (>=M-class) solar flares that can severely impact the near-Earth environment. We construct two types of datasets using the Space Weather HMI Active Region Patches (SHARP), and develop a flare prediction network based on large language model (LLMFlareNet). We apply SHapley Additive exPlanations (SHAP) to explain the model predictions. We develop an operational forecasting system based on the LLMFlareNet model. We adopt a daily mode for performance comparison across various operational forecasting systems under identical active region (AR) number and prediction date, using daily operational observational data. The main results are as follows. (1) Through ablation experiments and comparison with baseline models, LLMFlareNet achieves the best TSS scores of 0.720 +/- 0.040 on the ten cross-validation (CV) dataset with mixed ARs. (2) By both global and local SHAP analyses, we identify that R_VALUE is the most influential physical feature for the prediction of LLMFlareNet, aligning with flare magnetic reconnection theory. (3) In daily mode, LLMFlareNet achieves TSS scores of 0.680/0.571 (0.689/0.661, respectively) on the dataset with single/mixed ARs, markedly outperforming NASA/CCMC (SolarFlareNet, respectively). This work introduces the first application of a large language model as a universal computation engine with explainability method in this domain, and presents the first comparison between operational flare forecasting systems in daily mode. The proposed LLMFlareNet-based system demonstrates substantial improvements over existing systems.

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

This study investigates the dynamics of pedestrian crossing flows with varying crossing angles α to classify different scenarios and derive implications for crowd management. Probability density functions of four key features-velocity v, density ρ, avoidance number Av, and intrusion number In-were analyzed to characterize pedestrian behavior. Velocity-density fundamental diagrams were constructed for each α and fitted with functional forms from existing literature. Classification attempts using Av-In and v-ρ phase spaces revealed significant overlaps, highlighting the limitations of these metrics alone for scenario differentiation. To address this, machine learning models, including logistic regression and random forest, were employed using all four features. Results showed robust classification performance, with v and Av contributing most significantly. Insights from feature importance metrics and classification accuracy offer practical guidance for managing high-density crowds, optimizing pedestrian flow, and designing safer public spaces. These findings provide a data-driven framework for advancing pedestrian dynamics research.

We study the ability of foundation models to learn representations for classification that are transferable to new, unseen classes. Recent results in the literature show that representations learned by a single classifier over many classes are competitive on few-shot learning problems with representations learned by special-purpose algorithms designed for such problems. In this paper we provide an explanation for this behavior based on the recently observed phenomenon that the features learned by overparameterized classification networks show an interesting clustering property, called neural collapse. We demonstrate both theoretically and empirically that neural collapse generalizes to new samples from the training classes, and -- more importantly -- to new classes as well, allowing foundation models to provide feature maps that work well in transfer learning and, specifically, in the few-shot setting.

We propose masked particle modeling (MPM) as a self-supervised method for learning generic, transferable, and reusable representations on unordered sets of inputs for use in high energy physics (HEP) scientific data. This work provides a novel scheme to perform masked modeling based pre-training to learn permutation invariant functions on sets. More generally, this work provides a step towards building large foundation models for HEP that can be generically pre-trained with self-supervised learning and later fine-tuned for a variety of down-stream tasks. In MPM, particles in a set are masked and the training objective is to recover their identity, as defined by a discretized token representation of a pre-trained vector quantized variational autoencoder. We study the efficacy of the method in samples of high energy jets at collider physics experiments, including studies on the impact of discretization, permutation invariance, and ordering. We also study the fine-tuning capability of the model, showing that it can be adapted to tasks such as supervised and weakly supervised jet classification, and that the model can transfer efficiently with small fine-tuning data sets to new classes and new data domains.

Text-to-image (T2I) generative models, such as Stable Diffusion and DALL-E, have shown remarkable proficiency in producing high-quality, realistic, and natural images from textual descriptions. However, these models sometimes fail to accurately capture all the details specified in the input prompts, particularly concerning entities, attributes, and spatial relationships. This issue becomes more pronounced when the prompt contains novel or complex compositions, leading to what are known as compositional generation failure modes. Recently, a new open-source diffusion-based T2I model, FLUX, has been introduced, demonstrating strong performance in high-quality image generation. Additionally, autoregressive T2I models like LlamaGen have claimed competitive visual quality performance compared to diffusion-based models. In this study, we evaluate the compositional generation capabilities of these newly introduced models against established models using the T2I-CompBench benchmark. Our findings reveal that LlamaGen, as a vanilla autoregressive model, is not yet on par with state-of-the-art diffusion models for compositional generation tasks under the same criteria, such as model size and inference time. On the other hand, the open-source diffusion-based model FLUX exhibits compositional generation capabilities comparable to the state-of-the-art closed-source model DALL-E3.

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).

When learning simulations for modeling physical phenomena in industrial designs, geometrical variabilities are of prime interest. While classical regression techniques prove effective for parameterized geometries, practical scenarios often involve the absence of shape parametrization during the inference stage, leaving us with only mesh discretizations as available data. Learning simulations from such mesh-based representations poses significant challenges, with recent advances relying heavily on deep graph neural networks to overcome the limitations of conventional machine learning approaches. Despite their promising results, graph neural networks exhibit certain drawbacks, including their dependency on extensive datasets and limitations in providing built-in predictive uncertainties or handling large meshes. In this work, we propose a machine learning method that do not rely on graph neural networks. Complex geometrical shapes and variations with fixed topology are dealt with using well-known mesh morphing onto a common support, combined with classical dimensionality reduction techniques and Gaussian processes. The proposed methodology can easily deal with large meshes without the need for explicit shape parameterization and provides crucial predictive uncertainties, which are essential for informed decision-making. In the considered numerical experiments, the proposed method is competitive with respect to existing graph neural networks, regarding training efficiency and accuracy of the predictions.