Daily Papers

AI weather models now rival leading numerical weather prediction (NWP) systems in medium-range skill. However, almost all still rely on NWP data assimilation (DA) to provide initial conditions, tying them to expensive infrastructure and limiting the practical speed and accuracy gains of ML. More recently, ML-based DA systems have been proposed, which are often trained and evaluated end-to-end with a forecast model, making it difficult to assess the quality of their analysis fields. We introduce HealDA, a global ML-based DA system that maps a short window of satellite and conventional observations directly to a 1° atmospheric state on the HEALPix grid, using a smaller sensor suite than operational NWP and no background forecast at runtime. We treat HealDA strictly as a DA module: its analyses are used to initialize off-the-shelf ML forecast models without any fine-tuning of either. For a variety of off-the-shelf ML forecast models, including FourCastNet3 (FCN3), Aurora, and FengWu, HealDA-initialized forecasts lose less than one day of effective lead time when scored against ERA5. HealDA-initialized FCN3 ensembles similarly trail those of the ECMWF IFS ENS system by < 24 h. We find that forecast error growth in these models i unchanged from HealDA initialization, and the skill gap primarily arises from the larger initial error of the HealDA analysis. Spectral analysis reveals that this stems from overfitting to the large scales and upper-tropospheric fields. We also demonstrate that small changes in the verification setup can shift apparent skill by 12--24h, underscoring the need for consistent scoring. Taken together, these results clarify the current performance of ML-based DA systems and show that a relatively simple, background-free network can already provide initial conditions that are usable by state-of-the-art ML forecast models with only modest loss in medium-range skill.

This paper details four principal challenges encountered with machine learning (ML) damage assessment using small uncrewed aerial systems (sUAS) at Hurricanes Debby and Helene that prevented, degraded, or delayed the delivery of data products during operations and suggests three research directions for future real-world deployments. The presence of these challenges is not surprising given that a review of the literature considering both datasets and proposed ML models suggests this is the first sUAS-based ML system for disaster damage assessment actually deployed as a part of real-world operations. The sUAS-based ML system was applied by the State of Florida to Hurricanes Helene (2 orthomosaics, 3.0 gigapixels collected over 2 sorties by a Wintra WingtraOne sUAS) and Debby (1 orthomosaic, 0.59 gigapixels collected via 1 sortie by a Wintra WingtraOne sUAS) in Florida. The same model was applied to crewed aerial imagery of inland flood damage resulting from post-tropical remnants of Hurricane Debby in Pennsylvania (436 orthophotos, 136.5 gigapixels), providing further insights into the advantages and limitations of sUAS for disaster response. The four challenges (variationin spatial resolution of input imagery, spatial misalignment between imagery and geospatial data, wireless connectivity, and data product format) lead to three recommendations that specify research needed to improve ML model capabilities to accommodate the wide variation of potential spatial resolutions used in practice, handle spatial misalignment, and minimize the dependency on wireless connectivity. These recommendations are expected to improve the effective operational use of sUAS and sUAS-based ML damage assessment systems for disaster response.

Numerical simulations in climate, chemistry, or astrophysics are computationally too expensive for uncertainty quantification or parameter-exploration at high-resolution. Reduced-order or surrogate models are multiple orders of magnitude faster, but traditional surrogates are inflexible or inaccurate and pure machine learning (ML)-based surrogates too data-hungry. We propose a hybrid, flexible surrogate model that exploits known physics for simulating large-scale dynamics and limits learning to the hard-to-model term, which is called parametrization or closure and captures the effect of fine- onto large-scale dynamics. Leveraging neural operators, we are the first to learn grid-independent, non-local, and flexible parametrizations. Our multiscale neural operator is motivated by a rich literature in multiscale modeling, has quasilinear runtime complexity, is more accurate or flexible than state-of-the-art parametrizations and demonstrated on the chaotic equation multiscale Lorenz96.

In most retail stores, the number of days since initial processing is used as a proxy for estimating the freshness of perishable foods or freshness is assessed manually by an employee. While the former method can lead to wastage, as some fresh foods might get disposed after a fixed number of days, the latter can be time-consuming, expensive and impractical at scale. This project aims to propose a Machine Learning (ML) based approach that evaluates freshness of food based on live data. For the current scope, it only considers meat as a the subject of analysis and attempts to classify pieces of meat as fresh, half-fresh or spoiled. Finally the model achieved an accuracy of above 90% and relatively high performance in terms of the cost of misclassification. It is expected that the technology will contribute to the optimization of the client's business operation, reducing the risk of selling defective or rotten products that can entail serious monetary, non-monetary and health-based consequences while also achieving higher corporate value as a sustainable company by reducing food wastage through timely sales and disposal.

Traffic incident detection plays a key role in intelligent transportation systems, which has gained great attention in transport engineering. In the past, traditional machine learning (ML) based detection methods achieved good performance under a centralised computing paradigm, where all data are transmitted to a central server for building ML models therein. Nowadays, deep neural networks based federated learning (FL) has become a mainstream detection approach to enable the model training in a decentralised manner while warranting local data governance. Such neural networks-centred techniques, however, have overshadowed the utility of well-established ML-based detection methods. In this work, we aim to explore the potential of potent conventional ML-based detection models in modern traffic scenarios featured by distributed data. We leverage an elegant but less explored distributed optimisation framework named Network Lasso, with guaranteed global convergence for convex problem formulations, integrate the potent convex ML model with it, and compare it with centralised learning, local learning, and federated learning methods atop a well-known traffic incident detection dataset. Experimental results show that the proposed network lasso-based approach provides a promising alternative to the FL-based approach in data-decentralised traffic scenarios, with a strong convergence guarantee while rekindling the significance of conventional ML-based detection methods.

Docking is a crucial component in drug discovery aimed at predicting the binding conformation and affinity between small molecules and target proteins. ML-based docking has recently emerged as a prominent approach, outpacing traditional methods like DOCK and AutoDock Vina in handling the growing scale and complexity of molecular libraries. However, the availability of comprehensive and user-friendly datasets for training and benchmarking ML-based docking algorithms remains limited. We introduce Smiles2Dock, an open large-scale multi-task dataset for molecular docking. We created a framework combining P2Rank and AutoDock Vina to dock 1.7 million ligands from the ChEMBL database against 15 AlphaFold proteins, giving us more than 25 million protein-ligand binding scores. The dataset leverages a wide range of high-accuracy AlphaFold protein models, encompasses a diverse set of biologically relevant compounds and enables researchers to benchmark all major approaches for ML-based docking such as Graph, Transformer and CNN-based methods. We also introduce a novel Transformer-based architecture for docking scores prediction and set it as an initial benchmark for our dataset. Our dataset and code are publicly available to support the development of novel ML-based methods for molecular docking to advance scientific research in this field.

Machine learning-based supervised classifiers are widely used for security tasks, and their improvement has been largely focused on algorithmic advancements. We argue that data challenges that negatively impact the performance of these classifiers have received limited attention. We address the following research question: Can developments in Generative AI (GenAI) address these data challenges and improve classifier performance? We propose augmenting training datasets with synthetic data generated using GenAI techniques to improve classifier generalization. We evaluate this approach across 7 diverse security tasks using 6 state-of-the-art GenAI methods and introduce a novel GenAI scheme called Nimai that enables highly controlled data synthesis. We find that GenAI techniques can significantly improve the performance of security classifiers, achieving improvements of up to 32.6% even in severely data-constrained settings (only ~180 training samples). Furthermore, we demonstrate that GenAI can facilitate rapid adaptation to concept drift post-deployment, requiring minimal labeling in the adjustment process. Despite successes, our study finds that some GenAI schemes struggle to initialize (train and produce data) on certain security tasks. We also identify characteristics of specific tasks, such as noisy labels, overlapping class distributions, and sparse feature vectors, which hinder performance boost using GenAI. We believe that our study will drive the development of future GenAI tools designed for security tasks.

In this study, we approached the Hit Song Prediction problem, which aims to predict which songs will become Billboard hits. We gathered a dataset of nearly 18500 hit and non-hit songs and extracted their audio features using the Spotify Web API. We test four machine-learning models on our dataset. We were able to predict the Billboard success of a song with approximately 86\% accuracy. The most succesful algorithms were Random Forest and Support Vector Machine.

Machine learning (ML) is increasingly used in structural engineering and design, yet its broader adoption is hampered by the lack of openly accessible datasets of structural systems. We introduce BridgeNet, a publicly available graph-based dataset of 20,000 form-found bridge structures aimed at enabling Graph ML and multi-modal learning in the context of conceptual structural design. Each datapoint consists of (i) a pin-jointed equilibrium wireframe model generated with the Combinatorial Equilibrium Modeling (CEM) form-finding method, (ii) a volumetric 3D mesh obtained through force-informed materialization, and (iii) rendered images from two canonical camera angles. The resulting dataset is modality-rich and application-agnostic, supporting tasks such as CEM-specific edge classification and parameter inference, surrogate modeling of form-finding, cross-modal reconstruction between graphs, meshes and images, and generative structural design. BridgeNet addresses a key bottleneck in data-driven applications for structural engineering and design by providing a dataset that facilitates the development of new ML-based approaches for equilibrium bridge structures.

Machine learning (ML) has demonstrated considerable potential in supporting model design and optimization for combinatorial optimization (CO) problems. However, much of the progress to date has been evaluated on small-scale, synthetic datasets, raising concerns about the practical effectiveness of ML-based solvers in real-world, large-scale CO scenarios. Additionally, many existing CO benchmarks lack sufficient training data, limiting their utility for evaluating data-driven approaches. To address these limitations, we introduce FrontierCO, a comprehensive benchmark that covers eight canonical CO problem types and evaluates 16 representative ML-based solvers--including graph neural networks and large language model (LLM) agents. FrontierCO features challenging instances drawn from industrial applications and frontier CO research, offering both realistic problem difficulty and abundant training data. Our empirical results provide critical insights into the strengths and limitations of current ML methods, helping to guide more robust and practically relevant advances at the intersection of machine learning and combinatorial optimization. Our data is available at https://huggingface.co/datasets/CO-Bench/FrontierCO.

A popular approach for sequential decision-making is to perform simulator-based search guided with Machine Learning (ML) methods like policy learning. On the other hand, model-relaxation heuristics can guide the search effectively if a full declarative model is available. In this work, we consider how a practitioner can improve ML-based black-box planning on settings where a complete symbolic model is not available. We show that specifying an incomplete STRIPS model that describes only part of the problem enables the use of relaxation heuristics. Our findings on several planning domains suggest that this is an effective way to improve ML-based black-box planning beyond collecting more data or tuning ML architectures.

We propose and release a new vulnerable source code dataset. We curate the dataset by crawling security issue websites, extracting vulnerability-fixing commits and source codes from the corresponding projects. Our new dataset contains 18,945 vulnerable functions spanning 150 CWEs and 330,492 non-vulnerable functions extracted from 7,514 commits. Our dataset covers 295 more projects than all previous datasets combined. Combining our new dataset with previous datasets, we present an analysis of the challenges and promising research directions of using deep learning for detecting software vulnerabilities. We study 11 model architectures belonging to 4 families. Our results show that deep learning is still not ready for vulnerability detection, due to high false positive rate, low F1 score, and difficulty of detecting hard CWEs. In particular, we demonstrate an important generalization challenge for the deployment of deep learning-based models. We show that increasing the volume of training data may not further improve the performance of deep learning models for vulnerability detection, but might be useful to improve the generalization ability to unseen projects. We also identify hopeful future research directions. We demonstrate that large language models (LLMs) are a promising research direction for ML-based vulnerability detection, outperforming Graph Neural Networks (GNNs) with code-structure features in our experiments. Moreover, developing source code specific pre-training objectives is a promising research direction to improve the vulnerability detection performance.

The vast amounts of digital content captured from the real world or AI-generated media necessitate methods for copyright protection, traceability, or data provenance verification. Digital watermarking serves as a crucial approach to address these challenges. Its evolution spans three generations: handcrafted, autoencoder-based, and foundation model based methods. While the robustness of these systems is well-documented, the security against adversarial attacks remains underexplored. This paper evaluates the security of foundation models' latent space digital watermarking systems that utilize adversarial embedding techniques. A series of experiments investigate the security dimensions under copy and removal attacks, providing empirical insights into these systems' vulnerabilities. All experimental codes and results are available at https://github.com/vkinakh/ssl-watermarking-attacks .

This thesis explores open-sourced machine learning (ML) model explanation tools to understand whether these tools can allow a layman to visualize, understand, and suggest intuitive remedies to unfairness in ML-based decision-support systems. Machine learning models trained on datasets biased against minority groups are increasingly used to guide life-altering social decisions, prompting the urgent need to study their logic for unfairness. Due to this problem's impact on vast populations of the general public, it is critical for the layperson -- not just subject matter experts in social justice or machine learning experts -- to understand the nature of unfairness within these algorithms and the potential trade-offs. Existing research on fairness in machine learning focuses mostly on the mathematical definitions and tools to understand and remedy unfair models, with some directly citing user-interactive tools as necessary for future work. This thesis presents FairLay-ML, a proof-of-concept GUI integrating some of the most promising tools to provide intuitive explanations for unfair logic in ML models by integrating existing research tools (e.g. Local Interpretable Model-Agnostic Explanations) with existing ML-focused GUI (e.g. Python Streamlit). We test FairLay-ML using models of various accuracy and fairness generated by an unfairness detector tool, Parfait-ML, and validate our results using Themis. Our study finds that the technology stack used for FairLay-ML makes it easy to install and provides real-time black-box explanations of pre-trained models to users. Furthermore, the explanations provided translate to actionable remedies.

During the COVID-19 pandemic, a significant effort has gone into developing ML-driven epidemic forecasting techniques. However, benchmarks do not exist to claim if a new AI/ML technique is better than the existing ones. The "covid-forecast-hub" is a collection of more than 30 teams, including us, that submit their forecasts weekly to the CDC. It is not possible to declare whether one method is better than the other using those forecasts because each team's submission may correspond to different techniques over the period and involve human interventions as the teams are continuously changing/tuning their approach. Such forecasts may be considered "human-expert" forecasts and do not qualify as AI/ML approaches, although they can be used as an indicator of human expert performance. We are interested in supporting AI/ML research in epidemic forecasting which can lead to scalable forecasting without human intervention. Which modeling technique, learning strategy, and data pre-processing technique work well for epidemic forecasting is still an open problem. To help advance the state-of-the-art AI/ML applied to epidemiology, a benchmark with a collection of performance points is needed and the current "state-of-the-art" techniques need to be identified. We propose EpiBench a platform consisting of community-driven benchmarks for AI/ML applied to epidemic forecasting to standardize the challenge with a uniform evaluation protocol. In this paper, we introduce a prototype of EpiBench which is currently running and accepting submissions for the task of forecasting COVID-19 cases and deaths in the US states and We demonstrate that we can utilize the prototype to develop an ensemble relying on fully automated epidemic forecasts (no human intervention) that reaches human-expert level ensemble currently being used by the CDC.

In this paper, we present ManyTypes4Py, a large Python dataset for machine learning (ML)-based type inference. The dataset contains a total of 5,382 Python projects with more than 869K type annotations. Duplicate source code files were removed to eliminate the negative effect of the duplication bias. To facilitate training and evaluation of ML models, the dataset was split into training, validation and test sets by files. To extract type information from abstract syntax trees (ASTs), a lightweight static analyzer pipeline is developed and accompanied with the dataset. Using this pipeline, the collected Python projects were analyzed and the results of the AST analysis were stored in JSON-formatted files. The ManyTypes4Py dataset is shared on zenodo and its tools are publicly available on GitHub.

Cloud Computing (CC) is revolutionizing the way IT resources are delivered to users, allowing them to access and manage their systems with increased cost-effectiveness and simplified infrastructure. However, with the growth of CC comes a host of security risks, including threats to availability, integrity, and confidentiality. To address these challenges, Machine Learning (ML) is increasingly being used by Cloud Service Providers (CSPs) to reduce the need for human intervention in identifying and resolving security issues. With the ability to analyze vast amounts of data, and make high-accuracy predictions, ML can transform the way CSPs approach security. In this paper, we will explore some of the most recent research in the field of ML-based security in Cloud Computing. We will examine the features and effectiveness of a range of ML algorithms, highlighting their unique strengths and potential limitations. Our goal is to provide a comprehensive overview of the current state of ML in cloud security and to shed light on the exciting possibilities that this emerging field has to offer.

ML-based computer vision models are promising tools for supporting emergency management operations following natural disasters. Arial photographs taken from small manned and unmanned aircraft can be available soon after a disaster and provide valuable information from multiple perspectives for situational awareness and damage assessment applications. However, emergency managers often face challenges finding the most relevant photos among the tens of thousands that may be taken after an incident. While ML-based solutions could enable more effective use of aerial photographs, there is still a lack of training data for imagery of this type from multiple perspectives and for multiple hazard types. To address this, we present the LADI v2 (Low Altitude Disaster Imagery version 2) dataset, a curated set of about 10,000 disaster images captured in the United States by the Civil Air Patrol (CAP) in response to federally-declared emergencies (2015-2023) and annotated for multi-label classification by trained CAP volunteers. We also provide two pretrained baseline classifiers and compare their performance to state-of-the-art vision-language models in multi-label classification. The data and code are released publicly to support the development of computer vision models for emergency management research and applications.

We discuss how VMware is solving the following challenges to harness data to operate our ML-based anomaly detection system to detect performance issues in our Software Defined Data Center (SDDC) enterprise deployments: (i) label scarcity and label bias due to heavy dependency on unscalable human annotators, and (ii) data drifts due to ever-changing workload patterns, software stack and underlying hardware. Our anomaly detection system has been deployed in production for many years and has successfully detected numerous major performance issues. We demonstrate that by addressing these data challenges, we not only improve the accuracy of our performance anomaly detection model by 30%, but also ensure that the model performance to never degrade over time.

While high data quality (DQ) is critical for analytics, compliance, and AI performance, data quality management (DQM) remains a complex, resource-intensive, and often manual process. This study investigates the extent to which existing tools support AI-augmented data quality management (DQM) in data warehouse environments. To this end, we conduct a systematic review of 151 DQ tools to evaluate their automation capabilities, particularly in detecting and recommending DQ rules in data warehouses -- a key component of modern data ecosystems. Using a multi-phase screening process based on functionality, trialability, regulatory compliance (e.g., GDPR), and architectural compatibility with data warehouses, only 10 tools met the criteria for AI-augmented DQM. The analysis reveals that most tools emphasize data cleansing and preparation for AI, rather than leveraging AI to improve DQ itself. Although metadata- and ML-based rule detection techniques are present, features such as SQL-based rule specification, reconciliation logic, and explainability of AI-driven recommendations remain scarce. This study offers practical guidance for tool selection and outlines critical design requirements for next-generation AI-driven DQ solutions -- advocating a paradigm shift from ``data quality for AI'' to ``AI for data quality management''.

Precision in identifying nanometer-scale device-killer defects is crucial in both semiconductor research and development as well as in production processes. The effectiveness of existing ML-based approaches in this context is largely limited by the scarcity of data, as the production of real semiconductor wafer data for training these models involves high financial and time costs. Moreover, the existing simulation methods fall short of replicating images with identical noise characteristics, surface roughness and stochastic variations at advanced nodes. We propose a method for generating synthetic semiconductor SEM images using a diffusion model within a limited data regime. In contrast to images generated through conventional simulation methods, SEM images generated through our proposed DL method closely resemble real SEM images, replicating their noise characteristics and surface roughness adaptively. Our main contributions, which are validated on three different real semiconductor datasets, are: i) proposing a patch-based generative framework utilizing DDPM to create SEM images with intended defect classes, addressing challenges related to class-imbalance and data insufficiency, ii) demonstrating generated synthetic images closely resemble real SEM images acquired from the tool, preserving all imaging conditions and metrology characteristics without any metadata supervision, iii) demonstrating a defect detector trained on generated defect dataset, either independently or combined with a limited real dataset, can achieve similar or improved performance on real wafer SEM images during validation/testing compared to exclusive training on a real defect dataset, iv) demonstrating the ability of the proposed approach to transfer defect types, critical dimensions, and imaging conditions from one specified CD/Pitch and metrology specifications to another, thereby highlighting its versatility.

Machine learning (ML) approaches have demonstrated promising results in a wide range of healthcare applications. Data plays a crucial role in developing ML-based healthcare systems that directly affect people's lives. Many of the ethical issues surrounding the use of ML in healthcare stem from structural inequalities underlying the way we collect, use, and handle data. Developing guidelines to improve documentation practices regarding the creation, use, and maintenance of ML healthcare datasets is therefore of critical importance. In this work, we introduce Healthsheet, a contextualized adaptation of the original datasheet questionnaire ~gebru2018datasheets for health-specific applications. Through a series of semi-structured interviews, we adapt the datasheets for healthcare data documentation. As part of the Healthsheet development process and to understand the obstacles researchers face in creating datasheets, we worked with three publicly-available healthcare datasets as our case studies, each with different types of structured data: Electronic health Records (EHR), clinical trial study data, and smartphone-based performance outcome measures. Our findings from the interviewee study and case studies show 1) that datasheets should be contextualized for healthcare, 2) that despite incentives to adopt accountability practices such as datasheets, there is a lack of consistency in the broader use of these practices 3) how the ML for health community views datasheets and particularly Healthsheets as diagnostic tool to surface the limitations and strength of datasets and 4) the relative importance of different fields in the datasheet to healthcare concerns.

In this paper, we propose a hybrid approach for multi-object microbial cell segmentation. The approach combines an ML-based detection with a geometry-aware variational-based segmentation using B-splines that are parametrized based on a geometric model of the cell shape. The detection is done first using YOLOv5. In a second step, each detected cell is segmented individually. Thus, the segmentation only needs to be done on a per-cell basis, which makes it amenable to a variational approach that incorporates prior knowledge on the geometry. Here, the contour of the segmentation is modelled as closed uniform cubic B-spline, whose control points are parametrized using the known cell geometry. Compared to purely ML-based segmentation approaches, which need accurate segmentation maps as training data that are very laborious to produce, our method just needs bounding boxes as training data. Still, the proposed method performs on par with ML-based segmentation approaches usually used in this context. We study the performance of the proposed method on time-lapse microscopy data of Corynebacterium glutamicum.

In recent years, Large Language Models (LLM) such as ChatGPT, CoPilot, and Gemini have been widely adopted in different areas. As the use of LLMs continues to grow, many efforts have focused on reducing the massive training overheads of these models. But it is the environmental impact of handling user requests to LLMs that is increasingly becoming a concern. Recent studies estimate that the costs of operating LLMs in their inference phase can exceed training costs by 25x per year. As LLMs are queried incessantly, the cumulative carbon footprint for the operational phase has been shown to far exceed the footprint during the training phase. Further, estimates indicate that 500 ml of fresh water is expended for every 20-50 requests to LLMs during inference. To address these important sustainability issues with LLMs, we propose a novel framework called SLIT to co-optimize LLM quality of service (time-to-first token), carbon emissions, water usage, and energy costs. The framework utilizes a machine learning (ML) based metaheuristic to enhance the sustainability of LLM hosting across geo-distributed cloud datacenters. Such a framework will become increasingly vital as LLMs proliferate.

Radio frequency (RF) signal mapping, which is the process of analyzing and predicting the RF signal strength and distribution across specific areas, is crucial for cellular network planning and deployment. Traditional approaches to RF signal mapping rely on statistical models constructed based on measurement data, which offer low complexity but often lack accuracy, or ray tracing tools, which provide enhanced precision for the target area but suffer from increased computational complexity. Recently, machine learning (ML) has emerged as a data-driven method for modeling RF signal propagation, which leverages models trained on synthetic datasets to perform RF signal mapping in "unseen" areas. In this paper, we present Geo2SigMap, an ML-based framework for efficient and high-fidelity RF signal mapping using geographic databases. First, we develop an automated framework that seamlessly integrates three open-source tools: OpenStreetMap (geographic databases), Blender (computer graphics), and Sionna (ray tracing), enabling the efficient generation of large-scale 3D building maps and ray tracing models. Second, we propose a cascaded U-Net model, which is pre-trained on synthetic datasets and employed to generate detailed RF signal maps, leveraging environmental information and sparse measurement data. Finally, we evaluate the performance of Geo2SigMap via a real-world measurement campaign, where three types of user equipment (UE) collect over 45,000 data points related to cellular information from six LTE cells operating in the citizens broadband radio service (CBRS) band. Our results show that Geo2SigMap achieves an average root-mean-square-error (RMSE) of 6.04 dB for predicting the reference signal received power (RSRP) at the UE, representing an average RMSE improvement of 3.59 dB compared to existing methods.

Private and public organizations regularly collect and analyze digitalized data about their associates, volunteers, clients, etc. However, because most personal data are sensitive, there is a key challenge in designing privacy-preserving systems. To tackle privacy concerns, research communities have proposed different methods to preserve privacy, with Differential privacy (DP) standing out as a formal definition that allows quantifying the privacy-utility trade-off. Besides, with the local DP (LDP) model, users can sanitize their data locally before transmitting it to the server. The objective of this thesis is thus two-fold: O_1) To improve the utility and privacy in multiple frequency estimates under LDP guarantees, which is fundamental to statistical learning. And O_2) To assess the privacy-utility trade-off of machine learning (ML) models trained over differentially private data. For O_1, we first tackled the problem from two "multiple" perspectives, i.e., multiple attributes and multiple collections throughout time, while focusing on utility. Secondly, we focused our attention on the multiple attributes aspect only, in which we proposed a solution focusing on privacy while preserving utility. In both cases, we demonstrate through analytical and experimental validations the advantages of our proposed solutions over state-of-the-art LDP protocols. For O_2, we empirically evaluated ML-based solutions designed to solve real-world problems while ensuring DP guarantees. Indeed, we mainly used the input data perturbation setting from the privacy-preserving ML literature. This is the situation in which the whole dataset is sanitized independently and, thus, we implemented LDP algorithms from the perspective of the centralized data owner. In all cases, we concluded that differentially private ML models achieve nearly the same utility metrics as non-private ones.

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

The focus of this study is to evaluate the effectiveness of Machine Learning (ML) methods for two-sample testing with right-censored observations. To achieve this, we develop several ML-based methods with varying architectures and implement them as two-sample tests. Each method is an ensemble (stacking) that combines predictions from classical two-sample tests. This paper presents the results of training the proposed ML methods, examines their statistical power compared to classical two-sample tests, analyzes the distribution of test statistics for the proposed methods when the null hypothesis is true, and evaluates the significance of the features incorporated into the proposed methods. All results from numerical experiments were obtained from a synthetic dataset generated using the Smirnov transform (Inverse Transform Sampling) and replicated multiple times through Monte Carlo simulation. To test the two-sample problem with right-censored observations, one can use the proposed two-sample methods. All necessary materials (source code, example scripts, dataset, and samples) are available on GitHub and Hugging Face.

Data-driven modeling based on machine learning (ML) is showing enormous potential for weather forecasting. Rapid progress has been made with impressive results for some applications. The uptake of ML methods could be a game-changer for the incremental progress in traditional numerical weather prediction (NWP) known as the 'quiet revolution' of weather forecasting. The computational cost of running a forecast with standard NWP systems greatly hinders the improvements that can be made from increasing model resolution and ensemble sizes. An emerging new generation of ML models, developed using high-quality reanalysis datasets like ERA5 for training, allow forecasts that require much lower computational costs and that are highly-competitive in terms of accuracy. Here, we compare for the first time ML-generated forecasts with standard NWP-based forecasts in an operational-like context, initialized from the same initial conditions. Focusing on deterministic forecasts, we apply common forecast verification tools to assess to what extent a data-driven forecast produced with one of the recently developed ML models (PanguWeather) matches the quality and attributes of a forecast from one of the leading global NWP systems (the ECMWF IFS). The results are very promising, with comparable skill for both global metrics and extreme events, when verified against both the operational analysis and synoptic observations. Increasing forecast smoothness and bias drift with forecast lead time are identified as current drawbacks of ML-based forecasts. A new NWP paradigm is emerging relying on inference from ML models and state-of-the-art analysis and reanalysis datasets for forecast initialization and model training.

Earthquake monitoring is necessary to promptly identify the affected areas, the severity of the events, and, finally, to estimate damages and plan the actions needed for the restoration process. The use of seismic stations to monitor the strength and origin of earthquakes is limited when dealing with remote areas (we cannot have global capillary coverage). Identification and analysis of all affected areas is mandatory to support areas not monitored by traditional stations. Using social media images in crisis management has proven effective in various situations. However, they are still limited by the possibility of using communication infrastructures in case of an earthquake and by the presence of people in the area. Moreover, social media images and messages cannot be used to estimate the actual severity of earthquakes and their characteristics effectively. The employment of satellites to monitor changes around the globe grants the possibility of exploiting instrumentation that is not limited by the visible spectrum, the presence of land infrastructures, and people in the affected areas. In this work, we propose a new dataset composed of images taken from Sentinel-1 and a new series of tasks to help monitor earthquakes from a new detailed view. Coupled with the data, we provide a series of traditional machine learning and deep learning models as baselines to assess the effectiveness of ML-based models in earthquake analysis.

Over the past few years, due to the rapid development of machine learning (ML) models for weather forecasting, state-of-the-art ML models have shown superior performance compared to the European Centre for Medium-Range Weather Forecasts (ECMWF)'s high-resolution forecast (HRES) in 10-day forecasts at a spatial resolution of 0.25 degree. However, the challenge remains to perform comparably to the ECMWF ensemble mean (EM) in 15-day forecasts. Previous studies have demonstrated the importance of mitigating the accumulation of forecast errors for effective long-term forecasts. Despite numerous efforts to reduce accumulation errors, including autoregressive multi-time step loss, using a single model is found to be insufficient to achieve optimal performance in both short and long lead times. Therefore, we present FuXi, a cascaded ML weather forecasting system that provides 15-day global forecasts with a temporal resolution of 6 hours and a spatial resolution of 0.25 degree. FuXi is developed using 39 years of the ECMWF ERA5 reanalysis dataset. The performance evaluation, based on latitude-weighted root mean square error (RMSE) and anomaly correlation coefficient (ACC), demonstrates that FuXi has comparable forecast performance to ECMWF EM in 15-day forecasts, making FuXi the first ML-based weather forecasting system to accomplish this achievement.

The evolution of wireless communications into 6G and beyond is expected to rely on new machine learning (ML)-based capabilities. These can enable proactive decisions and actions from wireless-network components to sustain quality-of-service (QoS) and user experience. Moreover, new use cases in the area of vehicular and industrial communications will emerge. Specifically in the area of vehicle communication, vehicle-to-everything (V2X) schemes will benefit strongly from such advances. With this in mind, we have conducted a detailed measurement campaign that paves the way to a plethora of diverse ML-based studies. The resulting datasets offer GPS-located wireless measurements across diverse urban environments for both cellular (with two different operators) and sidelink radio access technologies, thus enabling a variety of different studies towards V2X. The datasets are labeled and sampled with a high time resolution. Furthermore, we make the data publicly available with all the necessary information to support the onboarding of new researchers. We provide an initial analysis of the data showing some of the challenges that ML needs to overcome and the features that ML can leverage, as well as some hints at potential research studies.

Two-dimensional (2D) Nuclear Magnetic Resonance (NMR) spectroscopy, particularly Heteronuclear Single Quantum Coherence (HSQC) spectroscopy, plays a critical role in elucidating molecular structures, interactions, and electronic properties. However, accurately interpreting 2D NMR data remains labor-intensive and error-prone, requiring highly trained domain experts, especially for complex molecules. Machine Learning (ML) holds significant potential in 2D NMR analysis by learning molecular representations and recognizing complex patterns from data. However, progress has been limited by the lack of large-scale and high-quality annotated datasets. In this work, we introduce 2DNMRGym, the first annotated experimental dataset designed for ML-based molecular representation learning in 2D NMR. It includes over 22,000 HSQC spectra, along with the corresponding molecular graphs and SMILES strings. Uniquely, 2DNMRGym adopts a surrogate supervision setup: models are trained using algorithm-generated annotations derived from a previously validated method and evaluated on a held-out set of human-annotated gold-standard labels. This enables rigorous assessment of a model's ability to generalize from imperfect supervision to expert-level interpretation. We provide benchmark results using a series of 2D and 3D GNN and GNN transformer models, establishing a strong foundation for future work. 2DNMRGym supports scalable model training and introduces a chemically meaningful benchmark for evaluating atom-level molecular representations in NMR-guided structural tasks. Our data and code is open-source and available on Huggingface and Github.

Shrinking pattern dimensions leads to an increased variety of defect types in semiconductor devices. This has spurred innovation in patterning approaches such as Directed self-assembly (DSA) for which no traditional, automatic defect inspection software exists. Machine Learning-based SEM image analysis has become an increasingly popular research topic for defect inspection with supervised ML models often showing the best performance. However, little research has been done on obtaining a dataset with high-quality labels for these supervised models. In this work, we propose a method for obtaining coherent and complete labels for a dataset of hexagonal contact hole DSA patterns while requiring minimal quality control effort from a DSA expert. We show that YOLOv8, a state-of-the-art neural network, achieves defect detection precisions of more than 0.9 mAP on our final dataset which best reflects DSA expert defect labeling expectations. We discuss the strengths and limitations of our proposed labeling approach and suggest directions for future work in data-centric ML-based defect inspection.

The automation of analog integrated circuit (IC) design remains a longstanding challenge, primarily due to the intricate interdependencies among physical layout, parasitic effects, and circuit-level performance. These interactions impose complex constraints that are difficult to accurately capture and optimize using conventional design methodologies. Although recent advances in machine learning (ML) have shown promise in automating specific stages of the analog design flow, the development of holistic, end-to-end frameworks that integrate these stages and iteratively refine layouts using post-layout, parasitic-aware performance feedback is still in its early stages. Furthermore, progress in this direction is hindered by the limited availability of open, high-quality datasets tailored to the analog domain, restricting both the benchmarking and the generalizability of ML-based techniques. To address these limitations, we present OSIRIS, a scalable dataset generation pipeline for analog IC design. OSIRIS systematically explores the design space of analog circuits while producing comprehensive performance metrics and metadata, thereby enabling ML-driven research in electronic design automation (EDA). In addition, we release a dataset consisting of 87,100 circuit variations generated with OSIRIS, accompanied by a reinforcement learning (RL)-based baseline method that exploits OSIRIS for analog design optimization.

High-Level Synthesis (HLS) plays a crucial role in modern hardware design by transforming high-level code into optimized hardware implementations. However, progress in applying machine learning (ML) to HLS optimization has been hindered by a shortage of sufficiently large and diverse datasets. To bridge this gap, we introduce ForgeHLS, a large-scale, open-source dataset explicitly designed for ML-driven HLS research. ForgeHLS comprises over 400k diverse designs generated from 846 kernels covering a broad range of application domains, consuming over 200k CPU hours during dataset construction. Each kernel includes systematically automated pragma insertions (loop unrolling, pipelining, array partitioning), combined with extensive design space exploration using Bayesian optimization. Compared to existing datasets, ForgeHLS significantly enhances scale, diversity, and design coverage. We further define and evaluate representative downstream tasks in Quality of Result (QoR) prediction and automated pragma exploration, clearly demonstrating ForgeHLS utility for developing and improving ML-based HLS optimization methodologies. The dataset and code are public at https://github.com/zedong-peng/ForgeHLS.

IoT (Internet of Things) refers to the network of interconnected physical devices, vehicles, home appliances, and other items embedded with sensors, software, and connectivity, enabling them to collect and exchange data. IoT Forensics is collecting and analyzing digital evidence from IoT devices to investigate cybercrimes, security breaches, and other malicious activities that may have taken place on these connected devices. In particular, EM-SCA has become an essential tool for IoT forensics due to its ability to reveal confidential information about the internal workings of IoT devices without interfering these devices or wiretapping their networks. However, the accuracy and reliability of EM-SCA results can be limited by device variability, environmental factors, and data collection and processing methods. Besides, there is very few research on these limitations that affects significantly the accuracy of EM-SCA approaches for the crossed-IoT device portability as well as limited research on the possible solutions to address such challenge. Therefore, this empirical study examines the impact of device variability on the accuracy and reliability of EM-SCA approaches, in particular machine-learning (ML) based approaches for EM-SCA. We firstly presents the background, basic concepts and techniques used to evaluate the limitations of current EM-SCA approaches and datasets. Our study then addresses one of the most important limitation, which is caused by the multi-core architecture of the processors (SoC). We present an approach to collect the EM-SCA datasets and demonstrate the feasibility of using transfer learning to obtain more meaningful and reliable results from EM-SCA in IoT forensics of crossed-IoT devices. Our study moreover contributes a new dataset for using deep learning models in analysing Electromagnetic Side-Channel data with regards to the cross-device portability matter.

Over the past decade, the study of extrasolar planets has evolved rapidly from plain detection and identification to comprehensive categorization and characterization of exoplanet systems and their atmospheres. Atmospheric retrieval, the inverse modeling technique used to determine an exoplanetary atmosphere's temperature structure and composition from an observed spectrum, is both time-consuming and compute-intensive, requiring complex algorithms that compare thousands to millions of atmospheric models to the observational data to find the most probable values and associated uncertainties for each model parameter. For rocky, terrestrial planets, the retrieved atmospheric composition can give insight into the surface fluxes of gaseous species necessary to maintain the stability of that atmosphere, which may in turn provide insight into the geological and/or biological processes active on the planet. These atmospheres contain many molecules, some of them biosignatures, spectral fingerprints indicative of biological activity, which will become observable with the next generation of telescopes. Runtimes of traditional retrieval models scale with the number of model parameters, so as more molecular species are considered, runtimes can become prohibitively long. Recent advances in machine learning (ML) and computer vision offer new ways to reduce the time to perform a retrieval by orders of magnitude, given a sufficient data set to train with. Here we present an ML-based retrieval framework called Intelligent exoplaNet Atmospheric RetrievAl (INARA) that consists of a Bayesian deep learning model for retrieval and a data set of 3,000,000 synthetic rocky exoplanetary spectra generated using the NASA Planetary Spectrum Generator. Our work represents the first ML retrieval model for rocky, terrestrial exoplanets and the first synthetic data set of terrestrial spectra generated at this scale.

The first ACM/IEEE TinyML Design Contest (TDC) held at the 41st International Conference on Computer-Aided Design (ICCAD) in 2022 is a challenging, multi-month, research and development competition. TDC'22 focuses on real-world medical problems that require the innovation and implementation of artificial intelligence/machine learning (AI/ML) algorithms on implantable devices. The challenge problem of TDC'22 is to develop a novel AI/ML-based real-time detection algorithm for life-threatening ventricular arrhythmia over low-power microcontrollers utilized in Implantable Cardioverter-Defibrillators (ICDs). The dataset contains more than 38,000 5-second intracardiac electrograms (IEGMs) segments over 8 different types of rhythm from 90 subjects. The dedicated hardware platform is NUCLEO-L432KC manufactured by STMicroelectronics. TDC'22, which is open to multi-person teams world-wide, attracted more than 150 teams from over 50 organizations. This paper first presents the medical problem, dataset, and evaluation procedure in detail. It further demonstrates and discusses the designs developed by the leading teams as well as representative results. This paper concludes with the direction of improvement for the future TinyML design for health monitoring applications.

Deep learning surrogate models have shown promise in solving partial differential equations (PDEs). Among them, the Fourier neural operator (FNO) achieves good accuracy, and is significantly faster compared to numerical solvers, on a variety of PDEs, such as fluid flows. However, the FNO uses the Fast Fourier transform (FFT), which is limited to rectangular domains with uniform grids. In this work, we propose a new framework, viz., geo-FNO, to solve PDEs on arbitrary geometries. Geo-FNO learns to deform the input (physical) domain, which may be irregular, into a latent space with a uniform grid. The FNO model with the FFT is applied in the latent space. The resulting geo-FNO model has both the computation efficiency of FFT and the flexibility of handling arbitrary geometries. Our geo-FNO is also flexible in terms of its input formats, viz., point clouds, meshes, and design parameters are all valid inputs. We consider a variety of PDEs such as the Elasticity, Plasticity, Euler's, and Navier-Stokes equations, and both forward modeling and inverse design problems. Geo-FNO is 10^5 times faster than the standard numerical solvers and twice more accurate compared to direct interpolation on existing ML-based PDE solvers such as the standard FNO.

Kilometer-scale modeling of global atmosphere dynamics enables fine-grained weather forecasting and decreases the risk of disastrous weather and climate activity. Therefore, building a kilometer-scale global forecast model is a persistent pursuit in the meteorology domain. Active international efforts have been made in past decades to improve the spatial resolution of numerical weather models. Nonetheless, developing the higher resolution numerical model remains a long-standing challenge due to the substantial consumption of computational resources. Recent advances in data-driven global weather forecasting models utilize reanalysis data for model training and have demonstrated comparable or even higher forecasting skills than numerical models. However, they are all limited by the resolution of reanalysis data and incapable of generating higher-resolution forecasts. This work presents FengWu-GHR, the first data-driven global weather forecasting model running at the 0.09^{circ} horizontal resolution. FengWu-GHR introduces a novel approach that opens the door for operating ML-based high-resolution forecasts by inheriting prior knowledge from a pretrained low-resolution model. The hindcast of weather prediction in 2022 indicates that FengWu-GHR is superior to the IFS-HRES. Furthermore, evaluations on station observations and case studies of extreme events support the competitive operational forecasting skill of FengWu-GHR at the high resolution.

Collocating deep learning training tasks improves GPU utilization but causes drastic slowdowns due to resource contention and risks Out-of-Memory (OOM) failures. Accurate memory estimation is essential for robust collocation, while GPU utilization -- a key proxy for resource contention -- enables interference-aware scheduling to reduce slowdowns and improve throughput. Existing GPU memory estimators span three paradigms -- analytical models, CPU-side libraries, and ML-based estimators -- each with distinct limitations: dependence on detailed model specifications, intrusive integration, poor generalization, and varying latency overhead. GPU heterogeneity further complicates estimation, as identical tasks can exhibit markedly different memory footprints across hardware generations. GPU utilization remains comparatively understudied, further complicated by the non-additive nature of utilization metrics and hardware sensitivity. We conduct a systematic analysis of representative estimators from each paradigm -- Horus, PyTorch FakeTensor, and our lightweight ML-based estimator -- evaluating accuracy, generalizability, and practical overhead. We construct a synthetic dataset spanning MLPs, CNNs, and Transformers with controlled architectural variations, and train MLP- and Transformer-based estimators for memory prediction. We further experiment with utilization estimation on the same dataset. Our evaluation reveals key tradeoffs and validates estimators against real-world unseen models. Significant challenges remain: analytical models are hardware-dependent, CPU-side libraries impose intrusive integration costs, and ML-based estimators struggle with cross-architecture generalization. We release all datasets, tools, and artifacts to support further research.

Printed Circuit Board (PCB) assurance in the optical domain is a crucial field of study. Though there are many existing PCB assurance methods using image processing, computer vision (CV), and machine learning (ML), the PCB field is complex and increasingly evolving so new techniques are required to overcome the emerging problems. Existing ML-based methods outperform traditional CV methods, however they often require more data, have low explainability, and can be difficult to adapt when a new technology arises. To overcome these challenges, CV methods can be used in tandem with ML methods. In particular, human-interpretable CV algorithms such as those that extract color, shape, and texture features increase PCB assurance explainability. This allows for incorporation of prior knowledge, which effectively reduce the number of trainable ML parameters and thus, the amount of data needed to achieve high accuracy when training or retraining an ML model. Hence, this study explores the benefits and limitations of a variety of common computer vision-based features for the task of PCB component detection using semantic data. Results of this study indicate that color features demonstrate promising performance for PCB component detection. The purpose of this paper is to facilitate collaboration between the hardware assurance, computer vision, and machine learning communities.

Machine learning (ML)-based malware detection systems often fail to account for the dynamic nature of real-world training and test data distributions. In practice, these distributions evolve due to frequent changes in the Android ecosystem, adversarial development of new malware families, and the continuous emergence of both benign and malicious applications. Prior studies have shown that such concept drift -- distributional shifts in benign and malicious samples, leads to significant degradation in detection performance over time. Despite the practical importance of this issue, existing datasets are often outdated and limited in temporal scope, diversity of malware families, and sample scale, making them insufficient for the systematic evaluation of concept drift in malware detection. To address this gap, we present LAMDA, the largest and most temporally diverse Android malware benchmark to date, designed specifically for concept drift analysis. LAMDA spans 12 years (2013-2025, excluding 2015), includes over 1 million samples (approximately 37% labeled as malware), and covers 1,380 malware families and 150,000 singleton samples, reflecting the natural distribution and evolution of real-world Android applications. We empirically demonstrate LAMDA's utility by quantifying the performance degradation of standard ML models over time and analyzing feature stability across years. As the most comprehensive Android malware dataset to date, LAMDA enables in-depth research into temporal drift, generalization, explainability, and evolving detection challenges. The dataset and code are available at: https://iqsec-lab.github.io/LAMDA/.

Accurate blind docking has the potential to lead to new biological breakthroughs, but for this promise to be realized, docking methods must generalize well across the proteome. Existing benchmarks, however, fail to rigorously assess generalizability. Therefore, we develop DockGen, a new benchmark based on the ligand-binding domains of proteins, and we show that existing machine learning-based docking models have very weak generalization abilities. We carefully analyze the scaling laws of ML-based docking and show that, by scaling data and model size, as well as integrating synthetic data strategies, we are able to significantly increase the generalization capacity and set new state-of-the-art performance across benchmarks. Further, we propose Confidence Bootstrapping, a new training paradigm that solely relies on the interaction between diffusion and confidence models and exploits the multi-resolution generation process of diffusion models. We demonstrate that Confidence Bootstrapping significantly improves the ability of ML-based docking methods to dock to unseen protein classes, edging closer to accurate and generalizable blind docking methods.

The use of machine learning (ML) based techniques has become increasingly popular in the field of bioacoustics over the last years. Fundamental requirements for the successful application of ML based techniques are curated, agreed upon, high-quality datasets and benchmark tasks to be learned on a given dataset. However, the field of bioacoustics so far lacks such public benchmarks which cover multiple tasks and species to measure the performance of ML techniques in a controlled and standardized way and that allows for benchmarking newly proposed techniques to existing ones. Here, we propose BEANS (the BEnchmark of ANimal Sounds), a collection of bioacoustics tasks and public datasets, specifically designed to measure the performance of machine learning algorithms in the field of bioacoustics. The benchmark proposed here consists of two common tasks in bioacoustics: classification and detection. It includes 12 datasets covering various species, including birds, land and marine mammals, anurans, and insects. In addition to the datasets, we also present the performance of a set of standard ML methods as the baseline for task performance. The benchmark and baseline code is made publicly available at https://github.com/earthspecies/beans in the hope of establishing a new standard dataset for ML-based bioacoustic research.

The application of machine learning algorithms to source code has grown in the past years. Since these algorithms are quite sensitive to input data, it is not surprising that researchers experiment with input representations. Nowadays, a popular starting point to represent code is abstract syntax trees (ASTs). Abstract syntax trees have been used for a long time in various software engineering domains, and in particular in IDEs. The API of modern IDEs allows to manipulate and traverse ASTs, resolve references between code elements, etc. Such algorithms can enrich ASTs with new data and therefore may be useful in ML-based code analysis. In this work, we present PSIMiner - a tool for processing PSI trees from the IntelliJ Platform. PSI trees contain code syntax trees as well as functions to work with them, and therefore can be used to enrich code representation using static analysis algorithms of modern IDEs. To showcase this idea, we use our tool to infer types of identifiers in Java ASTs and extend the code2seq model for the method name prediction problem.

We introduce a few-shot learning framework for error detection. We show that data augmentation (a form of weak supervision) is key to training high-quality, ML-based error detection models that require minimal human involvement. Our framework consists of two parts: (1) an expressive model to learn rich representations that capture the inherent syntactic and semantic heterogeneity of errors; and (2) a data augmentation model that, given a small seed of clean records, uses dataset-specific transformations to automatically generate additional training data. Our key insight is to learn data augmentation policies from the noisy input dataset in a weakly supervised manner. We show that our framework detects errors with an average precision of ~94% and an average recall of ~93% across a diverse array of datasets that exhibit different types and amounts of errors. We compare our approach to a comprehensive collection of error detection methods, ranging from traditional rule-based methods to ensemble-based and active learning approaches. We show that data augmentation yields an average improvement of 20 F1 points while it requires access to 3x fewer labeled examples compared to other ML approaches.

Schema matching -- the task of finding matches between attributes across disparate data sources with different tables and hierarchies -- is critical for creating interoperable machine learning (ML)-ready data. Addressing this fundamental data-centric problem has wide implications, especially in domains like healthcare, finance and e-commerce -- but also has the potential to benefit ML models more generally, by increasing the data available for ML model training. However, schema matching is a challenging ML task due to structural/hierarchical and semantic heterogeneity between different schemas. Previous ML approaches to automate schema matching have either required significant labeled data for model training, which is often unrealistic or suffer from poor zero-shot performance. To this end, we propose Matchmaker - a compositional language model program for schema matching, comprised of candidate generation, refinement and confidence scoring. Matchmaker also self-improves in a zero-shot manner without the need for labeled demonstrations via a novel optimization approach, which constructs synthetic in-context demonstrations to guide the language model's reasoning process. Empirically, we demonstrate on real-world medical schema matching benchmarks that Matchmaker outperforms previous ML-based approaches, highlighting its potential to accelerate data integration and interoperability of ML-ready data.

Machine learning-based computer-generated holography (ML-CGH) has advanced rapidly in recent years, yet progress is constrained by the limited availability of high-quality, large-scale hologram datasets. To address this, we present KOREATECH-CGH, a publicly available dataset comprising 6,000 pairs of RGB-D images and complex holograms across resolutions ranging from 256*256 to 2048*2048, with depth ranges extending to the theoretical limits of the angular spectrum method for wide 3D scene coverage. To improve hologram quality at large depth ranges, we introduce amplitude projection, a post-processing technique that replaces amplitude components of hologram wavefields at each depth layer while preserving phase. This approach enhances reconstruction fidelity, achieving 27.01 dB PSNR and 0.87 SSIM, surpassing a recent optimized silhouette-masking layer-based method by 2.03 dB and 0.04 SSIM, respectively. We further validate the utility of KOREATECH-CGH through experiments on hologram generation and super-resolution using state-of-the-art ML models, confirming its applicability for training and evaluating next-generation ML-CGH systems.

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

As Chile's electric power sector advances toward a future powered by renewable energy, accurate forecasting of renewable generation is essential for managing grid operations. The integration of renewable energy sources is particularly challenging due to the operational difficulties of managing their power generation, which is highly variable compared to fossil fuel sources, delaying the availability of clean energy. To mitigate this, we quantify the impact of increasing intermittent generation from wind and solar on thermal power plants in Chile and introduce a hybrid wind speed forecasting methodology which combines two custom ML models for Chile. The first model is based on TiDE, an MLP-based ML model for short-term forecasts, and the second is based on a graph neural network, GraphCast, for medium-term forecasts up to 10 days. Our hybrid approach outperforms the most accurate operational deterministic systems by 4-21% for short-term forecasts and 5-23% for medium-term forecasts and can directly lower the impact of wind generation on thermal ramping, curtailment, and system-level emissions in Chile.

We explore the use of topological data analysis (TDA) combined with machine learning for discriminating standard model backgrounds from the invisible decay of the Z^prime boson associated with monophoton emission at a 3 TeV muon collider. Reconstructed events are mapped into a six-dimensional kinematic space and aggregated into bags of events, from which persistent homology is used to extract Betti number distributions. Within the Multiple Instance Learning paradigm, classifiers trained on these topological descriptors demonstrate significantly improved classification accuracy compared to the conventional ML approaches based on event-wise kinematic inputs. We also draw exclusion contours at 95\% CL in the (m_{Z^prime}, m_chi) parameter space, highlighting the potential of topological features to extend the discovery reach of future collider experiments.

We study multiple rule-based and machine learning (ML) models for sepsis detection. We report the first neural network detection and prediction results on three categories of sepsis. We have used the retrospective Medical Information Mart for Intensive Care (MIMIC)-III dataset, restricted to intensive care unit (ICU) patients. Features for prediction were created from only common vital sign measurements. We show significant improvement of AUC score using neural network based ensemble model compared to single ML and rule-based models. For the detection of sepsis, severe sepsis, and septic shock, our model achieves an AUC of 0.97, 0.96 and 0.91, respectively. Four hours before the positive hours, it predicts the same three categories with an AUC of 0.90, 0.91 and 0.90 respectively. Further, we ranked the features and found that using six vital signs consistently provides higher detection and prediction AUC for all the models tested. Our novel ensemble model achieves highest AUC in detecting and predicting sepsis, severe sepsis, and septic shock in the MIMIC-III ICU patients, and is amenable to deployment in hospital settings.

KyFrog is a conservative Learning-with-Errors (LWE) key-encapsulation mechanism designed to explore an alternative operating point compared to schemes with relatively small public keys and ciphertexts. KyFrog uses a larger dimension (n = 1024) and a small prime modulus q = 1103, together with narrow error distributions with standard deviations σ_s = σ_e = 1.4, to target approximately 2^{325} classical and quantum security against state-of-the-art lattice attacks under standard cost models, as estimated using the Lattice Estimator. The price paid for this security margin is an extremely large KEM ciphertext (about 0.5 MiB), while public and secret keys remain in the same ballpark as ML-KEM. We describe the design rationale, parameter search methodology, and implementation details of KyFrog, and we compare its asymptotic security and concrete parameter sizes with the ML-KEM standard. All code and data for this work are released as free and open-source software, with the full C++23 implementation and experimental scripts available at: https://github.com/victormeloasm/kyfrog

The increasing adoption of natural language processing (NLP) models across industries has led to practitioners' need for machine learning systems to handle these models efficiently, from training to serving them in production. However, training, deploying, and updating multiple models can be complex, costly, and time-consuming, mainly when using transformer-based pre-trained language models. Multi-Task Learning (MTL) has emerged as a promising approach to improve efficiency and performance through joint training, rather than training separate models. Motivated by this, we first provide an overview of transformer-based MTL approaches in NLP. Then, we discuss the challenges and opportunities of using MTL approaches throughout typical ML lifecycle phases, specifically focusing on the challenges related to data engineering, model development, deployment, and monitoring phases. This survey focuses on transformer-based MTL architectures and, to the best of our knowledge, is novel in that it systematically analyses how transformer-based MTL in NLP fits into ML lifecycle phases. Furthermore, we motivate research on the connection between MTL and continual learning (CL), as this area remains unexplored. We believe it would be practical to have a model that can handle both MTL and CL, as this would make it easier to periodically re-train the model, update it due to distribution shifts, and add new capabilities to meet real-world requirements.

During early optimization passes, compilers must make predictions for machine-dependent characteristics such as execution unit utilization, number of register spills, latency, throughput etc. to generate better code. Often a hand-written static/analytical hardware cost model is built into the compiler. However, the need for more sophisticated and varied predictions has become more pronounced with the development of deep learning compilers which need to optimize dataflow graphs. Such compilers usually employ a much higher level MLIR form as an IR representation before lowering to traditional LLVM-IR. A static/analytical cost model in such a scenario is cumbersome and error prone as the opcodes represent very high level algebraic/arithmetic operations. Hence, we develop a machine learning-based cost model for high-level MLIR which can predict different target variables of interest such as CPU/GPU/xPU utilization, instructions executed, register usage etc. By considering the incoming MLIR as a text input a la NLP models we can apply well-known techniques from modern NLP research to help predict hardware characteristics more accurately. We expect such precise ML-driven hardware cost models to guide our deep learning compiler in graph level optimizations around operator fusion, local memory allocation, kernel scheduling etc. as well as in many kernel-level optimizations such as loop interchange, LICM and unroll. We report early work-in -progress results of developing such models on high-level MLIR representing dataflow graphs emitted by Pytorch/Tensorflow-like frameworks as well as lower-level dialects like affine. We show that these models can provide reasonably good estimates with low error bounds for various hardware characteristics of interest and can be a go-to mechanism for hardware cost modelling in the future.

A plethora of text-guided image editing methods have recently been developed by leveraging the impressive capabilities of large-scale diffusion-based generative models such as Imagen and Stable Diffusion. A standardized evaluation protocol, however, does not exist to compare methods across different types of fine-grained edits. To address this gap, we introduce EditVal, a standardized benchmark for quantitatively evaluating text-guided image editing methods. EditVal consists of a curated dataset of images, a set of editable attributes for each image drawn from 13 possible edit types, and an automated evaluation pipeline that uses pre-trained vision-language models to assess the fidelity of generated images for each edit type. We use EditVal to benchmark 8 cutting-edge diffusion-based editing methods including SINE, Imagic and Instruct-Pix2Pix. We complement this with a large-scale human study where we show that EditVall's automated evaluation pipeline is strongly correlated with human-preferences for the edit types we considered. From both the human study and automated evaluation, we find that: (i) Instruct-Pix2Pix, Null-Text and SINE are the top-performing methods averaged across different edit types, however {\it only} Instruct-Pix2Pix and Null-Text are able to preserve original image properties; (ii) Most of the editing methods fail at edits involving spatial operations (e.g., changing the position of an object). (iii) There is no `winner' method which ranks the best individually across a range of different edit types. We hope that our benchmark can pave the way to developing more reliable text-guided image editing tools in the future. We will publicly release EditVal, and all associated code and human-study templates to support these research directions in https://deep-ml-research.github.io/editval/.

In this paper, we introduce RaVAEn, a lightweight, unsupervised approach for change detection in satellite data based on Variational Auto-Encoders (VAEs) with the specific purpose of on-board deployment. Applications such as disaster management enormously benefit from the rapid availability of satellite observations. Traditionally, data analysis is performed on the ground after all data is transferred - downlinked - to a ground station. Constraint on the downlink capabilities therefore affects any downstream application. In contrast, RaVAEn pre-processes the sampled data directly on the satellite and flags changed areas to prioritise for downlink, shortening the response time. We verified the efficacy of our system on a dataset composed of time series of catastrophic events - which we plan to release alongside this publication - demonstrating that RaVAEn outperforms pixel-wise baselines. Finally we tested our approach on resource-limited hardware for assessing computational and memory limitations.

Prosthetic legs play a pivotal role in clinical rehabilitation, allowing individuals with lower-limb amputations the ability to regain mobility and improve their quality of life. Gait analysis is fundamental for optimizing prosthesis design and alignment, directly impacting the mobility and life quality of individuals with lower-limb amputations. Vision-based machine learning (ML) methods offer a scalable and non-invasive solution to gait analysis, but face challenges in correctly detecting and analyzing prosthesis, due to their unique appearances and new movement patterns. In this paper, we aim to bridge this gap by introducing a multi-purpose dataset, namely ProGait, to support multiple vision tasks including Video Object Segmentation, 2D Human Pose Estimation, and Gait Analysis (GA). ProGait provides 412 video clips from four above-knee amputees when testing multiple newly-fitted prosthetic legs through walking trials, and depicts the presence, contours, poses, and gait patterns of human subjects with transfemoral prosthetic legs. Alongside the dataset itself, we also present benchmark tasks and fine-tuned baseline models to illustrate the practical application and performance of the ProGait dataset. We compared our baseline models against pre-trained vision models, demonstrating improved generalizability when applying the ProGait dataset for prosthesis-specific tasks. Our code is available at https://github.com/pittisl/ProGait and dataset at https://huggingface.co/datasets/ericyxy98/ProGait.

A major challenge in training large-scale machine learning models is configuring the training process to maximize model performance, i.e., finding the best training setup from a vast design space. In this work, we unlock a gradient-based approach to this problem. We first introduce an algorithm for efficiently calculating metagradients -- gradients through model training -- at scale. We then introduce a "smooth model training" framework that enables effective optimization using metagradients. With metagradient descent (MGD), we greatly improve on existing dataset selection methods, outperform accuracy-degrading data poisoning attacks by an order of magnitude, and automatically find competitive learning rate schedules.

The Internet of Things has expanded rapidly, transforming communication and operations across industries but also increasing the attack surface and security breaches. Artificial Intelligence plays a key role in securing IoT, enabling attack detection, attack behavior analysis, and mitigation suggestion. Despite advancements, evaluations remain purely qualitative, and the lack of a standardized, objective benchmark for quantitatively measuring AI-based attack analysis and mitigation hinders consistent assessment of model effectiveness. In this work, we propose a hybrid framework combining Machine Learning (ML) for multi-class attack detection with Large Language Models (LLMs) for attack behavior analysis and mitigation suggestion. After benchmarking several ML and Deep Learning (DL) classifiers on the Edge-IIoTset and CICIoT2023 datasets, we applied structured role-play prompt engineering with Retrieval-Augmented Generation (RAG) to guide ChatGPT-o3 and DeepSeek-R1 in producing detailed, context-aware responses. We introduce novel evaluation metrics for quantitative assessment to guide us and an ensemble of judge LLMs, namely ChatGPT-4o, DeepSeek-V3, Mixtral 8x7B Instruct, Gemini 2.5 Flash, Meta Llama 4, TII Falcon H1 34B Instruct, xAI Grok 3, and Claude 4 Sonnet, to independently evaluate the responses. Results show that Random Forest has the best detection model, and ChatGPT-o3 outperformed DeepSeek-R1 in attack analysis and mitigation.

Unsustainable fishing practices worldwide pose a major threat to marine resources and ecosystems. Identifying vessels that do not show up in conventional monitoring systems -- known as ``dark vessels'' -- is key to managing and securing the health of marine environments. With the rise of satellite-based synthetic aperture radar (SAR) imaging and modern machine learning (ML), it is now possible to automate detection of dark vessels day or night, under all-weather conditions. SAR images, however, require a domain-specific treatment and are not widely accessible to the ML community. Maritime objects (vessels and offshore infrastructure) are relatively small and sparse, challenging traditional computer vision approaches. We present the largest labeled dataset for training ML models to detect and characterize vessels and ocean structures in SAR imagery. xView3-SAR consists of nearly 1,000 analysis-ready SAR images from the Sentinel-1 mission that are, on average, 29,400-by-24,400 pixels each. The images are annotated using a combination of automated and manual analysis. Co-located bathymetry and wind state rasters accompany every SAR image. We also provide an overview of the xView3 Computer Vision Challenge, an international competition using xView3-SAR for ship detection and characterization at large scale. We release the data (https://iuu.xview.us/{https://iuu.xview.us/}) and code (https://github.com/DIUx-xView{https://github.com/DIUx-xView}) to support ongoing development and evaluation of ML approaches for this important application.

Machine learning (ML) algorithms are heavily based on the availability of training data, which, depending on the domain, often includes sensitive information about data providers. This raises critical privacy concerns. Anonymization techniques have emerged as a practical solution to address these issues by generalizing features or suppressing data to make it more difficult to accurately identify individuals. Although recent studies have shown that privacy-enhancing technologies can influence ML predictions across different subgroups, thus affecting fair decision-making, the specific effects of anonymization techniques, such as k-anonymity, ell-diversity, and t-closeness, on ML fairness remain largely unexplored. In this work, we systematically audit the impact of anonymization techniques on ML fairness, evaluating both individual and group fairness. Our quantitative study reveals that anonymization can degrade group fairness metrics by up to fourfold. Conversely, similarity-based individual fairness metrics tend to improve under stronger anonymization, largely as a result of increased input homogeneity. By analyzing varying levels of anonymization across diverse privacy settings and data distributions, this study provides critical insights into the trade-offs between privacy, fairness, and utility, offering actionable guidelines for responsible AI development. Our code is publicly available at: https://github.com/hharcolezi/anonymity-impact-fairness.

Accumulation of corporate data in the cloud has attracted more enterprise applications to the cloud creating data gravity. As a consequence, network traffic has become more cloud centric. This increase in cloud centric traffic poses new challenges in designing learning systems for streaming data due to class imbalance. The number of classes plays a vital role in the accuracy of the classifiers built from the data streams. In this paper, we present a vector quantization-based sampling method, which substantially reduces the class imbalance in data streams. We demonstrate its effectiveness by conducting experiments on network traffic and anomaly dataset with commonly used ML model building methods; Multilayered Perceptron on TensorFlow backend, Support Vector Machines, K-Nearest Neighbour, and Random Forests. We built models using parallel processing, batch processing, and randomly selecting samples. We show that the accuracy of classification models improves when the data streams are pre-processed with our method. We used out of the box hyper-parameters of these classifiers and auto sklearn for hyperparameter optimization.

Machine learning (ML) has the potential to revolutionize various domains, but its adoption is often hindered by the disconnect between the needs of domain experts and translating these needs into robust and valid ML tools. Despite recent advances in LLM-based co-pilots to democratize ML for non-technical domain experts, these systems remain predominantly focused on model-centric aspects while overlooking critical data-centric challenges. This limitation is problematic in complex real-world settings where raw data often contains complex issues, such as missing values, label noise, and domain-specific nuances requiring tailored handling. To address this we introduce CliMB-DC, a human-guided, data-centric framework for LLM co-pilots that combines advanced data-centric tools with LLM-driven reasoning to enable robust, context-aware data processing. At its core, CliMB-DC introduces a novel, multi-agent reasoning system that combines a strategic coordinator for dynamic planning and adaptation with a specialized worker agent for precise execution. Domain expertise is then systematically incorporated to guide the reasoning process using a human-in-the-loop approach. To guide development, we formalize a taxonomy of key data-centric challenges that co-pilots must address. Thereafter, to address the dimensions of the taxonomy, we integrate state-of-the-art data-centric tools into an extensible, open-source architecture, facilitating the addition of new tools from the research community. Empirically, using real-world healthcare datasets we demonstrate CliMB-DC's ability to transform uncurated datasets into ML-ready formats, significantly outperforming existing co-pilot baselines for handling data-centric challenges. CliMB-DC promises to empower domain experts from diverse domains -- healthcare, finance, social sciences and more -- to actively participate in driving real-world impact using ML.

The rise of big data has amplified the need for efficient, user-friendly automated machine learning (AutoML) tools. However, the intricacy of understanding domain-specific data and defining prediction tasks necessitates human intervention making the process time-consuming while preventing full automation. Instead, envision an intelligent agent capable of assisting users in conducting AutoML tasks through intuitive, natural conversations without requiring in-depth knowledge of the underlying machine learning (ML) processes. This agent's key challenge is to accurately comprehend the user's prediction goals and, consequently, formulate precise ML tasks, adjust data sets and model parameters accordingly, and articulate results effectively. In this paper, we take a pioneering step towards this ambitious goal by introducing a ChatGPT-based conversational data-science framework to act as a "personal data scientist". Precisely, we utilize Large Language Models (ChatGPT) to build a natural interface between the users and the ML models (Scikit-Learn), which in turn, allows us to approach this ambitious problem with a realistic solution. Our model pivots around four dialogue states: Data Visualization, Task Formulation, Prediction Engineering, and Result Summary and Recommendation. Each state marks a unique conversation phase, impacting the overall user-system interaction. Multiple LLM instances, serving as "micro-agents", ensure a cohesive conversation flow, granting us granular control over the conversation's progression. In summary, we developed an end-to-end system that not only proves the viability of the novel concept of conversational data science but also underscores the potency of LLMs in solving complex tasks. Interestingly, its development spotlighted several critical weaknesses in the current LLMs (ChatGPT) and highlighted substantial opportunities for improvement.

Fair machine learning seeks to identify and mitigate biases in predictions against unfavorable populations characterized by demographic attributes, such as race and gender. Recently, a few works have extended fairness to graph data, such as social networks, but most of them neglect the causal relationships among data instances. This paper addresses the prevalent challenge in fairness-aware ML algorithms, which typically assume Independent and Identically Distributed (IID) data. We tackle the overlooked domain of non-IID, graph-based settings where data instances are interconnected, influencing the outcomes of fairness interventions. We base our research on the Network Structural Causal Model (NSCM) framework and posit two main assumptions: Decomposability and Graph Independence, which enable the computation of interventional distributions in non-IID settings using the do-calculus. Based on that, we develop the Message Passing Variational Autoencoder for Causal Inference (MPVA) to compute interventional distributions and facilitate causally fair node classification through estimated interventional distributions. Empirical evaluations on semi-synthetic and real-world datasets demonstrate that MPVA outperforms conventional methods by effectively approximating interventional distributions and mitigating bias. The implications of our findings underscore the potential of causality-based fairness in complex ML applications, setting the stage for further research into relaxing the initial assumptions to enhance model fairness.

Personalized recommendations are the backbone machine learning (ML) algorithm that powers several important application domains (e.g., ads, e-commerce, etc) serviced from cloud datacenters. Sparse embedding layers are a crucial building block in designing recommendations yet little attention has been paid in properly accelerating this important ML algorithm. This paper first provides a detailed workload characterization on personalized recommendations and identifies two significant performance limiters: memory-intensive embedding layers and compute-intensive multi-layer perceptron (MLP) layers. We then present Centaur, a chiplet-based hybrid sparse-dense accelerator that addresses both the memory throughput challenges of embedding layers and the compute limitations of MLP layers. We implement and demonstrate our proposal on an Intel HARPv2, a package-integrated CPU+FPGA device, which shows a 1.7-17.2x performance speedup and 1.7-19.5x energy-efficiency improvement than conventional approaches.

Today, most large-scale conversational AI agents (e.g. Alexa, Siri, or Google Assistant) are built using manually annotated data to train the different components of the system. Typically, the accuracy of the ML models in these components are improved by manually transcribing and annotating data. As the scope of these systems increase to cover more scenarios and domains, manual annotation to improve the accuracy of these components becomes prohibitively costly and time consuming. In this paper, we propose a system that leverages user-system interaction feedback signals to automate learning without any manual annotation. Users here tend to modify a previous query in hopes of fixing an error in the previous turn to get the right results. These reformulations, which are often preceded by defective experiences caused by errors in ASR, NLU, ER or the application. In some cases, users may not properly formulate their requests (e.g. providing partial title of a song), but gleaning across a wider pool of users and sessions reveals the underlying recurrent patterns. Our proposed self-learning system automatically detects the errors, generate reformulations and deploys fixes to the runtime system to correct different types of errors occurring in different components of the system. In particular, we propose leveraging an absorbing Markov Chain model as a collaborative filtering mechanism in a novel attempt to mine these patterns. We show that our approach is highly scalable, and able to learn reformulations that reduce Alexa-user errors by pooling anonymized data across millions of customers. The proposed self-learning system achieves a win/loss ratio of 11.8 and effectively reduces the defect rate by more than 30% on utterance level reformulations in our production A/B tests. To the best of our knowledge, this is the first self-learning large-scale conversational AI system in production.

Since the launch of the Sentinel-2 (S2) satellites, many ML models have used the data for diverse applications. The scene classification layer (SCL) inside the S2 product provides rich information for training, such as filtering images with high cloud coverage. However, there is more potential in this. We propose a technique to assess the clean optical coverage of a region, expressed by a SITS and calculated with the S2-based SCL data. With a manual threshold and specific labels in the SCL, the proposed technique assigns a percentage of spatial and temporal coverage across the time series and a high/low assessment. By evaluating the AI4EO challenge for Enhanced Agriculture, we show that the assessment is correlated to the predictive results of ML models. The classification results in a region with low spatial and temporal coverage is worse than in a region with high coverage. Finally, we applied the technique across all continents of the global dataset LandCoverNet.

Rapid analysis of satellite imagery within minutes-to-hours of acquisition is increasingly vital for many remote sensing applications, and is an essential component for developing next-generation autonomous and distributed satellite systems. On-satellite machine learning (ML) has the potential for such rapid analysis, by overcoming latency associated with intermittent satellite connectivity to ground stations or relay satellites, but state-of-the-art models are often too large or power-hungry for on-board deployment. Vessel detection using Synthetic Aperture Radar (SAR) is a critical time-sensitive application in maritime security that exemplifies this challenge. SAR vessel detection has previously been demonstrated only by ML models that either are too large for satellite deployment, have not been developed for sufficiently low-power hardware, or have only been tested on small SAR datasets that do not sufficiently represent the difficulty of the real-world task. Here we systematically explore a suite of architectural adaptations to develop a novel YOLOv8 architecture optimized for this task and FPGA-based processing. We deploy our model on a Kria KV260 MPSoC, and show it can analyze a ~700 megapixel SAR image in less than a minute, within common satellite power constraints (<10W). Our model has detection and classification performance only ~2% and 3% lower than values from state-of-the-art GPU-based models on the largest and most diverse open SAR vessel dataset, xView3-SAR, despite being ~50 and ~2500 times more computationally efficient. This work represents a key contribution towards on-satellite ML for time-critical SAR analysis, and more autonomous, scalable satellites.

Approximate Nearest Neighbor Search (ANNS), as the core of vector databases (VectorDBs), has become widely used in modern AI and ML systems, powering applications from information retrieval to bio-informatics. While graph-based ANNS methods achieve high query efficiency, their scalability is constrained by the available host memory. Recent disk-based ANNS approaches mitigate memory usage by offloading data to Solid-State Drives (SSDs). However, they still suffer from issues such as long I/O traversal path, misalignment with storage I/O granularity, and high in-memory indexing overhead, leading to significant I/O latency and ultimately limiting scalability for large-scale vector search. In this paper, we propose PageANN, a disk-based approximate nearest neighbor search (ANNS) framework designed for high performance and scalability. PageANN introduces a page-node graph structure that aligns logical graph nodes with physical SSD pages, thereby shortening I/O traversal paths and reducing I/O operations. Specifically, similar vectors are clustered into page nodes, and a co-designed disk data layout leverages this structure with a merging technique to store only representative vectors and topology information, avoiding unnecessary reads. To further improve efficiency, we design a memory management strategy that combines lightweight indexing with coordinated memory-disk data allocation, maximizing host memory utilization while minimizing query latency and storage overhead. Experimental results show that PageANN significantly outperforms state-of-the-art (SOTA) disk-based ANNS methods, achieving 1.85x-10.83x higher throughput and 51.7%-91.9% lower latency across different datasets and memory budgets, while maintaining comparable high recall accuracy.

In recent years, AI-assisted IC design methods have demonstrated great potential, but the availability of circuit design data is extremely limited, especially in the public domain. The lack of circuit data has become the primary bottleneck in developing AI-assisted IC design methods. In this work, we make the first attempt, SynCircuit, to generate new synthetic circuits with valid functionalities in the HDL format. SynCircuit automatically generates synthetic data using a framework with three innovative steps: 1) We propose a customized diffusion-based generative model to resolve the Directed Cyclic Graph (DCG) generation task, which has not been well explored in the AI community. 2) To ensure our circuit is valid, we enforce the circuit constraints by refining the initial graph generation outputs. 3) The Monte Carlo tree search (MCTS) method further optimizes the logic redundancy in the generated graph. Experimental results demonstrate that our proposed SynCircuit can generate more realistic synthetic circuits and enhance ML model performance in downstream circuit design tasks.

Named Entity Recognition (NER) models play a crucial role in various NLP tasks, including information extraction (IE) and text understanding. In academic writing, references to machine learning models and datasets are fundamental components of various computer science publications and necessitate accurate models for identification. Despite the advancements in NER, existing ground truth datasets do not treat fine-grained types like ML model and model architecture as separate entity types, and consequently, baseline models cannot recognize them as such. In this paper, we release a corpus of 100 manually annotated full-text scientific publications and a first baseline model for 10 entity types centered around ML models and datasets. In order to provide a nuanced understanding of how ML models and datasets are mentioned and utilized, our dataset also contains annotations for informal mentions like "our BERT-based model" or "an image CNN". You can find the ground truth dataset and code to replicate model training at https://data.gesis.org/gsap/gsap-ner.

Rapid and affordable methods of testing for COVID-19 infections are essential to reduce infection rates and prevent medical facilities from becoming overwhelmed. Current approaches of detecting COVID-19 require in-person testing with expensive kits that are not always easily accessible. This study demonstrates that crowdsourced cough audio samples recorded and acquired on smartphones from around the world can be used to develop an AI-based method that accurately predicts COVID-19 infection with an ROC-AUC of 77.1% (75.2%-78.3%). Furthermore, we show that our method is able to generalize to crowdsourced audio samples from Latin America and clinical samples from South Asia, without further training using the specific samples from those regions. As more crowdsourced data is collected, further development can be implemented using various respiratory audio samples to create a cough analysis-based machine learning (ML) solution for COVID-19 detection that can likely generalize globally to all demographic groups in both clinical and non-clinical settings.

The rapid growth of open source machine learning (ML) resources, such as models and datasets, has accelerated IR research. However, existing platforms like Hugging Face do not explicitly utilize structured representations, limiting advanced queries and analyses such as tracing model evolution and recommending relevant datasets. To fill the gap, we construct HuggingKG, the first large-scale knowledge graph built from the Hugging Face community for ML resource management. With 2.6 million nodes and 6.2 million edges, HuggingKG captures domain-specific relations and rich textual attributes. It enables us to further present HuggingBench, a multi-task benchmark with three novel test collections for IR tasks including resource recommendation, classification, and tracing. Our experiments reveal unique characteristics of HuggingKG and the derived tasks. Both resources are publicly available, expected to advance research in open source resource sharing and management.

In the past five years, research has shifted from traditional Machine Learning (ML) and Deep Learning (DL) approaches to leveraging Large Language Models (LLMs) , including multimodality, for data augmentation to enhance generalization, and combat overfitting in training deep convolutional neural networks. However, while existing surveys predominantly focus on ML and DL techniques or limited modalities (text or images), a gap remains in addressing the latest advancements and multi-modal applications of LLM-based methods. This survey fills that gap by exploring recent literature utilizing multimodal LLMs to augment image, text, and audio data, offering a comprehensive understanding of these processes. We outlined various methods employed in the LLM-based image, text and speech augmentation, and discussed the limitations identified in current approaches. Additionally, we identified potential solutions to these limitations from the literature to enhance the efficacy of data augmentation practices using multimodal LLMs. This survey serves as a foundation for future research, aiming to refine and expand the use of multimodal LLMs in enhancing dataset quality and diversity for deep learning applications. (Surveyed Paper GitHub Repo: https://github.com/WSUAgRobotics/data-aug-multi-modal-llm. Keywords: LLM data augmentation, Grok text data augmentation, DeepSeek image data augmentation, Grok speech data augmentation, GPT audio augmentation, voice augmentation, DeepSeek for data augmentation, DeepSeek R1 text data augmentation, DeepSeek R1 image augmentation, Image Augmentation using LLM, Text Augmentation using LLM, LLM data augmentation for deep learning applications)

Accurate estimation of brain infarction (i.e., irreversibly damaged tissue) is critical for guiding treatment decisions in acute ischemic stroke. Reliable infarct prediction informs key clinical interventions, including the need for patient transfer to comprehensive stroke centers, the potential benefit of additional reperfusion attempts during mechanical thrombectomy, decisions regarding secondary neuroprotective treatments, and ultimately, prognosis of clinical outcomes. This work introduces the Ischemic Stroke Lesion Segmentation (ISLES) 2024 challenge, which focuses on the prediction of final infarct volumes from pre-interventional acute stroke imaging and clinical data. ISLES24 provides a comprehensive, multimodal setting where participants can leverage all clinically and practically available data, including full acute CT imaging, sub-acute follow-up MRI, and structured clinical information, across a train set of 150 cases. On the hidden test set of 98 cases, the top-performing model, a multimodal nnU-Net-based architecture, achieved a Dice score of 0.285 (+/- 0.213) and an absolute volume difference of 21.2 (+/- 37.2) mL, underlining the significant challenges posed by this task and the need for further advances in multimodal learning. This work makes two primary contributions: first, we establish a standardized, clinically realistic benchmark for post-treatment infarct prediction, enabling systematic evaluation of multimodal algorithmic strategies on a longitudinal stroke dataset; second, we analyze current methodological limitations and outline key research directions to guide the development of next-generation infarct prediction models.

In this research, we study the change in the performance of machine learning (ML) classifiers when various linguistic preprocessing methods of a dataset were used, with the specific focus on linguistically-backed embeddings in Convolutional Neural Networks (CNN). Moreover, we study the concept of Feature Density and confirm its potential to comparatively predict the performance of ML classifiers, including CNN. The research was conducted on a Formspring dataset provided in a Kaggle competition on automatic cyberbullying detection. The dataset was re-annotated by objective experts (psychologists), as the importance of professional annotation in cyberbullying research has been indicated multiple times. The study confirmed the effectiveness of Neural Networks in cyberbullying detection and the correlation between classifier performance and Feature Density while also proposing a new approach of training various linguistically-backed embeddings for Convolutional Neural Networks.

Scaling the distribution of automated vehicles requires handling various unexpected and possibly dangerous situations, termed corner cases (CC). Since many modules of automated driving systems are based on machine learning (ML), CC are an essential part of the data for their development. However, there is only a limited amount of CC data in large-scale data collections, which makes them challenging in the context of ML. With a better understanding of CC, offline applications, e.g., dataset analysis, and online methods, e.g., improved performance of automated driving systems, can be improved. While there are knowledge-based descriptions and taxonomies for CC, there is little research on machine-interpretable descriptions. In this extended abstract, we will give a brief overview of the challenges and goals of such a description.

Edge Impulse is a cloud-based machine learning operations (MLOps) platform for developing embedded and edge ML (TinyML) systems that can be deployed to a wide range of hardware targets. Current TinyML workflows are plagued by fragmented software stacks and heterogeneous deployment hardware, making ML model optimizations difficult and unportable. We present Edge Impulse, a practical MLOps platform for developing TinyML systems at scale. Edge Impulse addresses these challenges and streamlines the TinyML design cycle by supporting various software and hardware optimizations to create an extensible and portable software stack for a multitude of embedded systems. As of Oct. 2022, Edge Impulse hosts 118,185 projects from 50,953 developers.

Large Language Models (LLMs) are increasingly used as powerful tools for a plethora of natural language processing (NLP) applications. A recent innovation, in-context learning (ICL), enables LLMs to learn new tasks by supplying a few examples in the prompt during inference time, thereby eliminating the need for model fine-tuning. While LLMs have been utilized in several applications, their applicability in explaining the behavior of other models remains relatively unexplored. Despite the growing number of new explanation techniques, many require white-box access to the model and/or are computationally expensive, highlighting a need for next-generation post hoc explainers. In this work, we present the first framework to study the effectiveness of LLMs in explaining other predictive models. More specifically, we propose a novel framework encompassing multiple prompting strategies: i) Perturbation-based ICL, ii) Prediction-based ICL, iii) Instruction-based ICL, and iv) Explanation-based ICL, with varying levels of information about the underlying ML model and the local neighborhood of the test sample. We conduct extensive experiments with real-world benchmark datasets to demonstrate that LLM-generated explanations perform on par with state-of-the-art post hoc explainers using their ability to leverage ICL examples and their internal knowledge in generating model explanations. On average, across four datasets and two ML models, we observe that LLMs identify the most important feature with 72.19% accuracy, opening up new frontiers in explainable artificial intelligence (XAI) to explore LLM-based explanation frameworks.

ML models often exhibit unexpectedly poor behavior when they are deployed in real-world domains. We identify underspecification as a key reason for these failures. An ML pipeline is underspecified when it can return many predictors with equivalently strong held-out performance in the training domain. Underspecification is common in modern ML pipelines, such as those based on deep learning. Predictors returned by underspecified pipelines are often treated as equivalent based on their training domain performance, but we show here that such predictors can behave very differently in deployment domains. This ambiguity can lead to instability and poor model behavior in practice, and is a distinct failure mode from previously identified issues arising from structural mismatch between training and deployment domains. We show that this problem appears in a wide variety of practical ML pipelines, using examples from computer vision, medical imaging, natural language processing, clinical risk prediction based on electronic health records, and medical genomics. Our results show the need to explicitly account for underspecification in modeling pipelines that are intended for real-world deployment in any domain.

Protein-ligand binding affinity prediction is essential for drug discovery and toxicity assessment. While machine learning (ML) promises fast and accurate predictions, its progress is constrained by the availability of reliable data. In contrast, physics-based methods such as absolute binding free energy perturbation (AB-FEP) deliver high accuracy but are computationally prohibitive for high-throughput applications. To bridge this gap, we introduce ToxBench, the first large-scale AB-FEP dataset designed for ML development and focused on a single pharmaceutically critical target, Human Estrogen Receptor Alpha (ERalpha). ToxBench contains 8,770 ERalpha-ligand complex structures with binding free energies computed via AB-FEP with a subset validated against experimental affinities at 1.75 kcal/mol RMSE, along with non-overlapping ligand splits to assess model generalizability. Using ToxBench, we further benchmark state-of-the-art ML methods, and notably, our proposed DualBind model, which employs a dual-loss framework to effectively learn the binding energy function. The benchmark results demonstrate the superior performance of DualBind and the potential of ML to approximate AB-FEP at a fraction of the computational cost.

Earth observation data such as satellite imagery can, when combined with machine learning, have profound impacts on our understanding of the geography of poverty through the prediction of living conditions, especially where government-derived economic indicators are either unavailable or potentially untrustworthy. Recent work has progressed in using EO data not only to predict spatial economic outcomes, but also to explore cause and effect, an understanding which is critical for downstream policy analysis. In this review, we first document the growth of interest in EO-ML analyses in the causal space. We then trace the relationship between spatial statistics and EO-ML methods before discussing the four ways in which EO data has been used in causal ML pipelines -- (1.) poverty outcome imputation for downstream causal analysis, (2.) EO image deconfounding, (3.) EO-based treatment effect heterogeneity, and (4.) EO-based transportability analysis. We conclude by providing a workflow for how researchers can incorporate EO data in causal ML analysis going forward.

Large Language Models (LLMs) stand at the forefront of a number of Natural Language Processing (NLP) tasks. Despite the widespread adoption of LLMs in NLP, much of their potential in broader fields remains largely unexplored, and significant limitations persist in their design and implementation. Notably, LLMs struggle with structured data, such as graphs, and often falter when tasked with answering domain-specific questions requiring deep expertise, such as those in biology and chemistry. In this paper, we explore a fundamental question: Can LLMs effectively handle molecule prediction tasks? Rather than pursuing top-tier performance, our goal is to assess how LLMs can contribute to diverse molecule tasks. We identify several classification and regression prediction tasks across six standard molecule datasets. Subsequently, we carefully design a set of prompts to query LLMs on these tasks and compare their performance with existing Machine Learning (ML) models, which include text-based models and those specifically designed for analysing the geometric structure of molecules. Our investigation reveals several key insights: Firstly, LLMs generally lag behind ML models in achieving competitive performance on molecule tasks, particularly when compared to models adept at capturing the geometric structure of molecules, highlighting the constrained ability of LLMs to comprehend graph data. Secondly, LLMs show promise in enhancing the performance of ML models when used collaboratively. Lastly, we engage in a discourse regarding the challenges and promising avenues to harness LLMs for molecule prediction tasks. The code and models are available at https://github.com/zhiqiangzhongddu/LLMaMol.

Existing human motion generation methods with trajectory and pose inputs operate global processing on both modalities, leading to suboptimal outputs. In this paper, we propose IKMo, an image-keyframed motion generation method based on the diffusion model with trajectory and pose being decoupled. The trajectory and pose inputs go through a two-stage conditioning framework. In the first stage, the dedicated optimization module is applied to refine inputs. In the second stage, trajectory and pose are encoded via a Trajectory Encoder and a Pose Encoder in parallel. Then, motion with high spatial and semantic fidelity is guided by a motion ControlNet, which processes the fused trajectory and pose data. Experiment results based on HumanML3D and KIT-ML datasets demonstrate that the proposed method outperforms state-of-the-art on all metrics under trajectory-keyframe constraints. In addition, MLLM-based agents are implemented to pre-process model inputs. Given texts and keyframe images from users, the agents extract motion descriptions, keyframe poses, and trajectories as the optimized inputs into the motion generation model. We conducts a user study with 10 participants. The experiment results prove that the MLLM-based agents pre-processing makes generated motion more in line with users' expectation. We believe that the proposed method improves both the fidelity and controllability of motion generation by the diffusion model.

With the widespread use of the internet, it has become increasingly crucial to extract specific information from vast amounts of academic articles efficiently. Data mining techniques are generally employed to solve this issue. However, data mining for academic articles is challenging since it requires automatically extracting specific patterns in complex and unstructured layout documents. Current data mining methods for academic articles employ rule-based(RB) or machine learning(ML) approaches. However, using rule-based methods incurs a high coding cost for complex typesetting articles. On the other hand, simply using machine learning methods requires annotation work for complex content types within the paper, which can be costly. Furthermore, only using machine learning can lead to cases where patterns easily recognized by rule-based methods are mistakenly extracted. To overcome these issues, from the perspective of analyzing the standard layout and typesetting used in the specified publication, we emphasize implementing specific methods for specific characteristics in academic articles. We have developed a novel Text Block Refinement Framework (TBRF), a machine learning and rule-based scheme hybrid. We used the well-known ACL proceeding articles as experimental data for the validation experiment. The experiment shows that our approach achieved over 95% classification accuracy and 90% detection accuracy for tables and figures.

With the proliferation of the Internet of Things (IoT) and the rising interconnectedness of devices, network security faces significant challenges, especially from anomalous activities. While traditional machine learning-based intrusion detection systems (ML-IDS) effectively employ supervised learning methods, they possess limitations such as the requirement for labeled data and challenges with high dimensionality. Recent unsupervised ML-IDS approaches such as AutoEncoders and Generative Adversarial Networks (GAN) offer alternative solutions but pose challenges in deployment onto resource-constrained IoT devices and in interpretability. To address these concerns, this paper proposes a novel federated unsupervised anomaly detection framework, FedPCA, that leverages Principal Component Analysis (PCA) and the Alternating Directions Method Multipliers (ADMM) to learn common representations of distributed non-i.i.d. datasets. Building on the FedPCA framework, we propose two algorithms, FEDPE in Euclidean space and FEDPG on Grassmann manifolds. Our approach enables real-time threat detection and mitigation at the device level, enhancing network resilience while ensuring privacy. Moreover, the proposed algorithms are accompanied by theoretical convergence rates even under a subsampling scheme, a novel result. Experimental results on the UNSW-NB15 and TON-IoT datasets show that our proposed methods offer performance in anomaly detection comparable to nonlinear baselines, while providing significant improvements in communication and memory efficiency, underscoring their potential for securing IoT networks.

In this paper, we introduce Narrative Learning, a methodology where models are defined entirely in natural language and iteratively refine their classification criteria using explanatory prompts rather than traditional numerical optimisation. We report on experiments to evaluate the accuracy and potential of this approach using 3 synthetic and 3 natural datasets and compare them against 7 baseline explainable machine learning models. We demonstrate that on 5 out of 6 of these datasets, Narrative Learning became more accurate than the baseline explainable models in 2025 or earlier because of improvements in language models. We also report on trends in the lexicostatistics of these models' outputs as a proxy for the comprehensibility of the explanations.

We introduce new differentially private (DP) mechanisms for gradient-based machine learning (ML) with multiple passes (epochs) over a dataset, substantially improving the achievable privacy-utility-computation tradeoffs. We formalize the problem of DP mechanisms for adaptive streams with multiple participations and introduce a non-trivial extension of online matrix factorization DP mechanisms to our setting. This includes establishing the necessary theory for sensitivity calculations and efficient computation of optimal matrices. For some applications like >!! 10,000 SGD steps, applying these optimal techniques becomes computationally expensive. We thus design an efficient Fourier-transform-based mechanism with only a minor utility loss. Extensive empirical evaluation on both example-level DP for image classification and user-level DP for language modeling demonstrate substantial improvements over all previous methods, including the widely-used DP-SGD . Though our primary application is to ML, our main DP results are applicable to arbitrary linear queries and hence may have much broader applicability.

Recently, sequential recommendation has been adapted to the LLM paradigm to enjoy the power of LLMs. LLM-based methods usually formulate recommendation information into natural language and the model is trained to predict the next item in an auto-regressive manner. Despite their notable success, the substantial computational overhead of inference poses a significant obstacle to their real-world applicability. In this work, we endeavor to streamline existing LLM-based recommendation models and propose a simple yet highly effective model Lite-LLM4Rec. The primary goal of Lite-LLM4Rec is to achieve efficient inference for the sequential recommendation task. Lite-LLM4Rec circumvents the beam search decoding by using a straight item projection head for ranking scores generation. This design stems from our empirical observation that beam search decoding is ultimately unnecessary for sequential recommendations. Additionally, Lite-LLM4Rec introduces a hierarchical LLM structure tailored to efficiently handle the extensive contextual information associated with items, thereby reducing computational overhead while enjoying the capabilities of LLMs. Experiments on three publicly available datasets corroborate the effectiveness of Lite-LLM4Rec in both performance and inference efficiency (notably 46.8% performance improvement and 97.28% efficiency improvement on ML-1m) over existing LLM-based methods. Our implementations will be open sourced.

The objective is to provide clear and well-motivated guidance to Machine Learning (ML) teams, founded on our experience in empirical turbulence modeling. Guidance is also needed for modeling outside ML. ML is not yet successful in turbulence modeling, and many papers have produced unusable proposals either due to errors in math or physics, or to severe overfitting. We believe that "Turbulence Culture" (TC) takes years to learn and is difficult to convey especially considering the modern lack of time for careful study; important facts which are self-evident after a career in turbulence research and modeling and extensive reading are easy to miss. In addition, many of them are not absolute facts, a consequence of the gaps in our understanding of turbulence and the weak connection of models to first principles. Some of the mathematical facts are rigorous, but the physical aspects often are not. Turbulence models are surprisingly arbitrary. Disagreement between experts confuses the new entrants. In addition, several key properties of the models are ascertained through non-trivial analytical properties of the differential equations, which puts them out of reach of purely data-driven ML-type approaches. The best example is the crucial behavior of the model at the edge of the turbulent region (ETR). The knowledge we wish to put out here may be divided into "Mission" and "Requirements," each combining physics and mathematics. Clear lists of "Hard" and "Soft" constraints are presented. A concrete example of how DNS data could be used, possibly allied with ML, is first carried through and illustrates the large number of decisions needed. Our focus is on creating effective products which will empower CFD, rather than on publications.

We study the effectiveness of Feature Density (FD) using different linguistically-backed feature preprocessing methods in order to estimate dataset complexity, which in turn is used to comparatively estimate the potential performance of machine learning (ML) classifiers prior to any training. We hypothesise that estimating dataset complexity allows for the reduction of the number of required experiments iterations. This way we can optimize the resource-intensive training of ML models which is becoming a serious issue due to the increases in available dataset sizes and the ever rising popularity of models based on Deep Neural Networks (DNN). The problem of constantly increasing needs for more powerful computational resources is also affecting the environment due to alarmingly-growing amount of CO2 emissions caused by training of large-scale ML models. The research was conducted on multiple datasets, including popular datasets, such as Yelp business review dataset used for training typical sentiment analysis models, as well as more recent datasets trying to tackle the problem of cyberbullying, which, being a serious social problem, is also a much more sophisticated problem form the point of view of linguistic representation. We use cyberbullying datasets collected for multiple languages, namely English, Japanese and Polish. The difference in linguistic complexity of datasets allows us to additionally discuss the efficacy of linguistically-backed word preprocessing.

Human motion generation stands as a significant pursuit in generative computer vision, while achieving long-sequence and efficient motion generation remains challenging. Recent advancements in state space models (SSMs), notably Mamba, have showcased considerable promise in long sequence modeling with an efficient hardware-aware design, which appears to be a promising direction to build motion generation model upon it. Nevertheless, adapting SSMs to motion generation faces hurdles since the lack of a specialized design architecture to model motion sequence. To address these challenges, we propose Motion Mamba, a simple and efficient approach that presents the pioneering motion generation model utilized SSMs. Specifically, we design a Hierarchical Temporal Mamba (HTM) block to process temporal data by ensemble varying numbers of isolated SSM modules across a symmetric U-Net architecture aimed at preserving motion consistency between frames. We also design a Bidirectional Spatial Mamba (BSM) block to bidirectionally process latent poses, to enhance accurate motion generation within a temporal frame. Our proposed method achieves up to 50% FID improvement and up to 4 times faster on the HumanML3D and KIT-ML datasets compared to the previous best diffusion-based method, which demonstrates strong capabilities of high-quality long sequence motion modeling and real-time human motion generation. See project website https://steve-zeyu-zhang.github.io/MotionMamba/

Decentralized Finance (DeFi) incidents stemming from the exploitation of smart contract vulnerabilities have culminated in financial damages exceeding 3 billion US dollars. Existing defense mechanisms typically focus on detecting and reacting to malicious transactions executed by attackers that target victim contracts. However, with the emergence of private transaction pools where transactions are sent directly to miners without first appearing in public mempools, current detection tools face significant challenges in identifying attack activities effectively. Based on the fact that most attack logic rely on deploying one or more intermediate smart contracts as supporting components to the exploitation of victim contracts, in this paper, we propose a new direction for detecting DeFi attacks that focuses on identifying adversarial contracts instead of adversarial transactions. Our approach allows us to leverage common attack patterns, code semantics and intrinsic characteristics found in malicious smart contracts to build the LookAhead system based on Machine Learning (ML) classifiers and a transformer model that is able to effectively distinguish adversarial contracts from benign ones, and make just-in-time predictions of potential zero-day attacks. Our contributions are three-fold: First, we construct a comprehensive dataset consisting of features extracted and constructed from recent contracts deployed on the Ethereum and BSC blockchains. Secondly, we design a condensed representation of smart contract programs called Pruned Semantic-Control Flow Tokenization (PSCFT) and use it to train a combination of ML models that understand the behaviour of malicious codes based on function calls, control flows and other pattern-conforming features. Lastly, we provide the complete implementation of LookAhead and the evaluation of its performance metrics for detecting adversarial contracts.

Since its 2009 genesis block, the Bitcoin network has processed >1.08 billion (B) transactions representing >8.72B BTC, offering rich potential for machine learning (ML); yet, its pseudonymity and obscured flow of funds inherent in its \utxo-based design, have rendered this data largely inaccessible for ML research. Addressing this gap, we present an ML-compatible graph modeling the Bitcoin's economic topology by reconstructing the flow of funds. This temporal, heterogeneous graph encompasses complete transaction history up to block \cutoffHeight, consisting of >2.4B nodes and >39.72B edges. Additionally, we provide custom sampling methods yielding node and edge feature vectors of sampled communities, tools to load and analyze the Bitcoin graph data within specialized graph databases, and ready-to-use database snapshots. This comprehensive dataset and toolkit empower the ML community to tackle Bitcoin's intricate ecosystem at scale, driving progress in applications such as anomaly detection, address classification, market analysis, and large-scale graph ML benchmarking. Dataset and code available at https://github.com/B1AAB/EBA{github.com/b1aab/eba}

In the rapidly evolving field of machine learning (ML), data augmentation (DA) has emerged as a pivotal technique for enhancing model performance by diversifying training examples without the need for additional data collection. This survey explores the transformative impact of Large Language Models (LLMs) on DA, particularly addressing the unique challenges and opportunities they present in the context of natural language processing (NLP) and beyond. From a data perspective and a learning perspective, we examine various strategies that utilize Large Language Models for data augmentation, including a novel exploration of learning paradigms where LLM-generated data is used for further training. Additionally, this paper delineates the primary challenges faced in this domain, ranging from controllable data augmentation to multi modal data augmentation. This survey highlights the paradigm shift introduced by LLMs in DA, aims to serve as a foundational guide for researchers and practitioners in this field.

This paper introduces a new approach to using Large Language Models (LLMs) for classification tasks, which are typically handled using Machine Learning (ML) models. Unlike ML models that rely heavily on data cleaning and feature engineering, this method streamlines the process using LLMs. This paper proposes a new concept called "Language Model Learning (LML)" powered by a new method called "Data-Augmented Prediction (DAP)". The classification is performed by LLMs using a method similar to humans manually exploring and understanding the data and deciding classifications using data as a reference. Training data is summarized and evaluated to determine the features that lead to the classification of each label the most. In the process of DAP, the system uses the data summary to automatically create a query, which is used to retrieve relevant rows from the dataset. A classification is generated by the LLM using data summary and relevant rows, ensuring satisfactory accuracy even with complex data. Usage of data summary and similar data in DAP ensures context-aware decision-making. The proposed method uses the words "Act as an Explainable Machine Learning Model" in the prompt to enhance the interpretability of the predictions by allowing users to review the logic behind each prediction. In some test cases, the system scored an accuracy above 90%, proving the effectiveness of the system and its potential to outperform conventional ML models in various scenarios. The code is available at https://github.com/Pro-GenAI/LML-DAP

1. The popularity of Machine learning (ML), Deep learning (DL), and Artificial intelligence (AI) has risen sharply in recent years. Despite this spike in popularity, the inner workings of ML and DL algorithms are often perceived as opaque, and their relationship to classical data analysis tools remains debated. 2. Although it is often assumed that ML and DL excel primarily at making predictions, ML and DL can also be used for analytical tasks traditionally addressed with statistical models. Moreover, most recent discussions and reviews on ML focus mainly on DL, missing out on synthesizing the wealth of ML algorithms with different advantages and general principles. 3. Here, we provide a comprehensive overview of the field of ML and DL, starting by summarizing its historical developments, existing algorithm families, differences to traditional statistical tools, and universal ML principles. We then discuss why and when ML and DL models excel at prediction tasks and where they could offer alternatives to traditional statistical methods for inference, highlighting current and emerging applications for ecological problems. Finally, we summarize emerging trends such as scientific and causal ML, explainable AI, and responsible AI that may significantly impact ecological data analysis in the future. 4. We conclude that ML and DL are powerful new tools for predictive modeling and data analysis. The superior performance of ML and DL algorithms compared to statistical models can be explained by their higher flexibility and automatic data-dependent complexity optimization. However, their use for causal inference is still disputed as the focus of ML and DL methods on predictions creates challenges for the interpretation of these models. Nevertheless, we expect ML and DL to become an indispensable tool in E&E, comparable to other traditional statistical tools.

Despite the great advance of Multimodal Large Language Models (MLLMs) in both instruction dataset building and benchmarking, the independence of training and evaluation makes current MLLMs hard to further improve their capability under the guidance of evaluation results with a relatively low human cost. In this paper, we propose MLLM-DataEngine, a novel closed-loop system that bridges data generation, model training, and evaluation. Within each loop iteration, the MLLM-DataEngine first analyze the weakness of the model based on the evaluation results, then generate a proper incremental dataset for the next training iteration and enhance the model capability iteratively. Compared with previous data collection methods which are separate from the benchmarking, the data generated by MLLM-DataEngine shows better targeting, quality, and correctness. For targeting, we propose an Adaptive Bad-case Sampling module, which adjusts the ratio of different types of data within each incremental dataset based on the benchmarking results. For quality, we resort to GPT-4 to generate high-quality data with each given data type. For correctness, prompt design is critical for the data generation results. Rather than previous hand-crafted prompt, we propose an Interactive Prompt Optimization strategy, which optimizes the prompt with the multi-round interaction between human and GPT, and improve the correctness of generated data greatly. Through extensive experiments, we find our MLLM-DataEngine could boost the MLLM capability in a targeted and automatic manner, with only a few human participation. We hope it could be a general solution for the following MLLMs building. The MLLM-DataEngine has been open-sourced and is now available at https://github.com/opendatalab/MLLM-DataEngine.

Real-world enterprise data intelligence workflows encompass data engineering that turns raw sources into analytical-ready tables and data analysis that convert those tables into decision-oriented insights. We introduce DAComp, a benchmark of 210 tasks that mirrors these complex workflows. Data engineering (DE) tasks require repository-level engineering on industrial schemas, including designing and building multi-stage SQL pipelines from scratch and evolving existing systems under evolving requirements. Data analysis (DA) tasks pose open-ended business problems that demand strategic planning, exploratory analysis through iterative coding, interpretation of intermediate results, and the synthesis of actionable recommendations. Engineering tasks are scored through execution-based, multi-metric evaluation. Open-ended tasks are assessed by a reliable, experimentally validated LLM-judge, which is guided by hierarchical, meticulously crafted rubrics. Our experiments reveal that even state-of-the-art agents falter on DAComp. Performance on DE tasks is particularly low, with success rates under 20%, exposing a critical bottleneck in holistic pipeline orchestration, not merely code generation. Scores on DA tasks also average below 40%, highlighting profound deficiencies in open-ended reasoning and demonstrating that engineering and analysis are distinct capabilities. By clearly diagnosing these limitations, DAComp provides a rigorous and realistic testbed to drive the development of truly capable autonomous data agents for enterprise settings. Our data and code are available at https://da-comp.github.io

We introduce DABstep, a novel benchmark for evaluating AI agents on realistic multi-step data analysis tasks. DABstep comprises over 450 real-world challenges derived from a financial analytics platform, requiring models to combine code-based data processing with contextual reasoning over heterogeneous documentation. Each task demands an iterative, multi-step problem-solving approach, testing capabilities in data manipulation, cross-referencing multiple sources, and precise result reporting. The benchmark provides a factoid-style answer format with automatic correctness checks for objective scoring at scale. We evaluate leading LLM-based agents, revealing a substantial performance gap: even the best agent achieves only 14.55% accuracy on the hardest tasks. We detail our benchmark's design, dataset composition, task formulation, evaluation protocol, report baseline results and analyze failure modes. DABstep is released with a public leaderboard and toolkit to accelerate research in autonomous data analysis.

We introduce DA-Code, a code generation benchmark specifically designed to assess LLMs on agent-based data science tasks. This benchmark features three core elements: First, the tasks within DA-Code are inherently challenging, setting them apart from traditional code generation tasks and demanding advanced coding skills in grounding and planning. Second, examples in DA-Code are all based on real and diverse data, covering a wide range of complex data wrangling and analytics tasks. Third, to solve the tasks, the models must utilize complex data science programming languages, to perform intricate data processing and derive the answers. We set up the benchmark in a controllable and executable environment that aligns with real-world data analysis scenarios and is scalable. The annotators meticulously design the evaluation suite to ensure the accuracy and robustness of the evaluation. We develop the DA-Agent baseline. Experiments show that although the baseline performs better than other existing frameworks, using the current best LLMs achieves only 30.5% accuracy, leaving ample room for improvement. We release our benchmark at https://da-code-bench.github.io.

Data Augmentation (DA) is known to improve the generalizability of deep neural networks. Most existing DA techniques naively add a certain number of augmented samples without considering the quality and the added computational cost of these samples. To tackle this problem, a common strategy, adopted by several state-of-the-art DA methods, is to adaptively generate or re-weight augmented samples with respect to the task objective during training. However, these adaptive DA methods: (1) are computationally expensive and not sample-efficient, and (2) are designed merely for a specific setting. In this work, we present a universal DA technique, called Glitter, to overcome both issues. Glitter can be plugged into any DA method, making training sample-efficient without sacrificing performance. From a pre-generated pool of augmented samples, Glitter adaptively selects a subset of worst-case samples with maximal loss, analogous to adversarial DA. Without altering the training strategy, the task objective can be optimized on the selected subset. Our thorough experiments on the GLUE benchmark, SQuAD, and HellaSwag in three widely used training setups including consistency training, self-distillation and knowledge distillation reveal that Glitter is substantially faster to train and achieves a competitive performance, compared to strong baselines.

Mobile Phone Agents (MPAs) have emerged as a promising research direction due to their broad applicability across diverse scenarios. While Multimodal Large Language Models (MLLMs) serve as the foundation for MPAs, their effectiveness in handling multiple mobile phone tasks simultaneously remains limited. Although multitask supervised fine-tuning (SFT) is widely adopted for multitask learning, existing approaches struggle to determine optimal training data compositions for peak performance. To address this challenge, we propose DaMo (Data Mixture Optimizer) - a novel solution employing a trainable network that predicts optimal data mixtures by forecasting downstream task performance for any given dataset ratio. To support comprehensive evaluation, we introduce PhoneAgentBench, the first specialized benchmark to evaluate MLLMs on multimodal mobile phone tasks, comprising 1235 QA pairs spanning diverse real-world industrial mobile application scenarios. Demonstrating strong predictive capability (R^2=0.81) in small-scale pilot experiments, DaMo efficiently extrapolates optimal data mixing configurations. Our results show DaMo achieves a 3.38% performance improvement on PhoneAgentBench compared to alternative methods. Furthermore, extensive experiments across established benchmarks including BFCL-v3, MME-Reasoning, MME-Perception, and OCRBench reveal DaMo's superior generalization, outperforming other approaches by 2.57% in terms of average score. When used solely for MLLM optimization on the BFCL-v3 task, DaMo improves the metrics by 12.47% than other methods. Notably, DaMo maintains robust scalability, preserving its effectiveness when applied to other model architectures. The code and dataset are available at https://github.com/OPPO-Mente-Lab/DaMo.git

In this paper, we introduce InfiAgent-DABench, the first benchmark specifically designed to evaluate LLM-based agents on data analysis tasks. These tasks require agents to end-to-end solving complex tasks by interacting with an execution environment. This benchmark contains DAEval, a dataset consisting of 257 data analysis questions derived from 52 CSV files, and an agent framework which incorporates LLMs to serve as data analysis agents for both serving and evaluation. Since data analysis questions are often open-ended and hard to evaluate without human supervision, we adopt a format-prompting technique to convert each question into a closed-form format so that they can be automatically evaluated. Our extensive benchmarking of 34 LLMs uncovers the current challenges encountered in data analysis tasks. In addition, building on top of our agent framework, we develop a specialized agent, DAAgent, which surpasses GPT-3.5 by 3.9% on DABench. Evaluation datasets and toolkits for InfiAgent-DABench are released at https://github.com/InfiAgent/InfiAgent .

Agents based on large language models (LLMs) for machine learning engineering (MLE) can automatically implement ML models via code generation. However, existing approaches to build such agents often rely heavily on inherent LLM knowledge and employ coarse exploration strategies that modify the entire code structure at once. This limits their ability to select effective task-specific models and perform deep exploration within specific components, such as experimenting extensively with feature engineering options. To overcome these, we propose MLE-STAR, a novel approach to build MLE agents. MLE-STAR first leverages external knowledge by using a search engine to retrieve effective models from the web, forming an initial solution, then iteratively refines it by exploring various strategies targeting specific ML components. This exploration is guided by ablation studies analyzing the impact of individual code blocks. Furthermore, we introduce a novel ensembling method using an effective strategy suggested by MLE-STAR. Our experimental results show that MLE-STAR achieves medals in 64% of the Kaggle competitions on the MLE-bench Lite, significantly outperforming the best alternative.

Automatic Differentiation (AD) has become a dominant technique in ML. AD frameworks have first been implemented for imperative languages using tapes. Meanwhile, functional implementations of AD have been developed, often based on dual numbers, which are close to the formal specification of differentiation and hence easier to prove correct. But these papers have focussed on correctness not efficiency. Recently, it was shown how an approach using dual numbers could be made efficient through the right optimizations. Optimizations are highly dependent on order, as one optimization can enable another. It can therefore be useful to have fine-grained control over the scheduling of optimizations. One method expresses compiler optimizations as rewrite rules, whose application can be combined and controlled using strategy languages. Previous work describes the use of term rewriting and strategies to generate high-performance code in a compiler for a functional language. In this work, we implement dual numbers AD in a functional array programming language using rewrite rules and strategy combinators for optimization. We aim to combine the elegance of differentiation using dual numbers with a succinct expression of the optimization schedule using a strategy language. We give preliminary evidence suggesting the viability of the approach on a micro-benchmark.

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

The rapidly growing demand for high-quality data in Large Language Models (LLMs) has intensified the need for scalable, reliable, and semantically rich data preparation pipelines. However, current practices remain dominated by ad-hoc scripts and loosely specified workflows, which lack principled abstractions, hinder reproducibility, and offer limited support for model-in-the-loop data generation. To address these challenges, we present DataFlow, a unified and extensible LLM-driven data preparation framework. DataFlow is designed with system-level abstractions that enable modular, reusable, and composable data transformations, and provides a PyTorch-style pipeline construction API for building debuggable and optimizable dataflows. The framework consists of nearly 200 reusable operators and six domain-general pipelines spanning text, mathematical reasoning, code, Text-to-SQL, agentic RAG, and large-scale knowledge extraction. To further improve usability, we introduce DataFlow-Agent, which automatically translates natural-language specifications into executable pipelines via operator synthesis, pipeline planning, and iterative verification. Across six representative use cases, DataFlow consistently improves downstream LLM performance. Our math, code, and text pipelines outperform curated human datasets and specialized synthetic baselines, achieving up to +3\% execution accuracy in Text-to-SQL over SynSQL, +7\% average improvements on code benchmarks, and 1--3 point gains on MATH, GSM8K, and AIME. Moreover, a unified 10K-sample dataset produced by DataFlow enables base models to surpass counterparts trained on 1M Infinity-Instruct data. These results demonstrate that DataFlow provides a practical and high-performance substrate for reliable, reproducible, and scalable LLM data preparation, and establishes a system-level foundation for future data-centric AI development.

We investigate how both the adaptation of a generic foundation model via transfer learning and the integration of complementary modalities from the operating room (OR) can support surgical data science. To this end, we use V-JEPA as the single-modality foundation of a multimodal model for minimally invasive surgery support. We analyze how the model's downstream performance can benefit (a) from finetuning on unlabeled surgical video data and (b) from providing additional time-resolved data streams from the OR in a multimodal setup. In an in-house dataset of liver surgery videos, we analyze the tasks of predicting hospital length of stay and postoperative complications. In videos of the public HeiCo dataset, we analyze the task of surgical phase recognition. As a baseline, we apply pretrained V-JEPA to all tasks. We then finetune it on unlabeled, held-out videos to investigate its change in performance after domain adaptation. Following the idea of modular decision support networks, we integrate additional data streams from the OR by training a separate encoder to form a shared representation space with V-JEPA's embeddings. Our experiments show that finetuning on domain-specific data increases model performance. On the in-house data, integrating additional time-resolved data likewise benefits the model. On the HeiCo data, accuracy of the pretrained video-only, single-modality baseline setup is on par with the top-performing submissions of the EndoVis2017 challenge, while finetuning on domain-specific data increases accuracy further. Our results thus demonstrate how surgical data science can leverage public, generic foundation models. Likewise, they indicate the potential of domain adaptation and of integrating suitable complementary data streams from the OR. To support further research, we release our code and model weights at https://github.com/DigitalSurgeryLab-Basel/ML-CDS-2025.

Neural networks are sensitive to hyper-parameter and architecture choices. Automated Machine Learning (AutoML) is a promising paradigm for automating these choices. Current ML software libraries, however, are quite limited in handling the dynamic interactions among the components of AutoML. For example, efficientNAS algorithms, such as ENAS and DARTS, typically require an implementation coupling between the search space and search algorithm, the two key components in AutoML. Furthermore, implementing a complex search flow, such as searching architectures within a loop of searching hardware configurations, is difficult. To summarize, changing the search space, search algorithm, or search flow in current ML libraries usually requires a significant change in the program logic. In this paper, we introduce a new way of programming AutoML based on symbolic programming. Under this paradigm, ML programs are mutable, thus can be manipulated easily by another program. As a result, AutoML can be reformulated as an automated process of symbolic manipulation. With this formulation, we decouple the triangle of the search algorithm, the search space and the child program. This decoupling makes it easy to change the search space and search algorithm (without and with weight sharing), as well as to add search capabilities to existing code and implement complex search flows. We then introduce PyGlove, a new Python library that implements this paradigm. Through case studies on ImageNet and NAS-Bench-101, we show that with PyGlove users can easily convert a static program into a search space, quickly iterate on the search spaces and search algorithms, and craft complex search flows to achieve better results.

As big data grows ubiquitous across many domains, more and more stakeholders seek to develop Machine Learning (ML) applications on their data. The success of an ML application usually depends on the close collaboration of ML experts and domain experts. However, the shortage of ML engineers remains a fundamental problem. Low-code Machine learning tools/platforms (aka, AutoML) aim to democratize ML development to domain experts by automating many repetitive tasks in the ML pipeline. This research presents an empirical study of around 14k posts (questions + accepted answers) from Stack Overflow (SO) that contained AutoML-related discussions. We examine how these topics are spread across the various Machine Learning Life Cycle (MLLC) phases and their popularity and difficulty. This study offers several interesting findings. First, we find 13 AutoML topics that we group into four categories. The MLOps topic category (43% questions) is the largest, followed by Model (28% questions), Data (27% questions), Documentation (2% questions). Second, Most questions are asked during Model training (29%) (i.e., implementation phase) and Data preparation (25%) MLLC phase. Third, AutoML practitioners find the MLOps topic category most challenging, especially topics related to model deployment & monitoring and Automated ML pipeline. These findings have implications for all three AutoML stakeholders: AutoML researchers, AutoML service vendors, and AutoML developers. Academia and Industry collaboration can improve different aspects of AutoML, such as better DevOps/deployment support and tutorial-based documentation.

Large language models have shown promising performance in code generation benchmarks. However, a considerable divide exists between these benchmark achievements and their practical applicability, primarily attributed to real-world programming's reliance on pre-existing libraries. Instead of evaluating LLMs to code from scratch, this work aims to propose a new evaluation setup where LLMs use open-source libraries to finish machine learning tasks. Therefore, we propose ML-Bench, an expansive benchmark developed to assess the effectiveness of LLMs in leveraging existing functions in open-source libraries. Consisting of 10044 samples spanning 130 tasks over 14 notable machine learning GitHub repositories. In this setting, given a specific machine learning task instruction and the accompanying README in a codebase, an LLM is tasked to generate code to accomplish the task. This necessitates the comprehension of long and language-code interleaved documents, as well as the understanding of complex cross-file code structures, introducing new challenges. Notably, while GPT-4 exhibits remarkable improvement over other LLMs, it manages to accomplish only 39.73\% of the tasks, leaving a huge space for improvement. We address these challenges by proposing ML-Agent, designed to effectively navigate the codebase, locate documentation, retrieve code, and generate executable code. Empirical results demonstrate that ML-Agent, built upon GPT-4, results in further improvements. Code, data, and models are available at https://ml-bench.github.io/.

As an effective strategy, data augmentation (DA) alleviates data scarcity scenarios where deep learning techniques may fail. It is widely applied in computer vision then introduced to natural language processing and achieves improvements in many tasks. One of the main focuses of the DA methods is to improve the diversity of training data, thereby helping the model to better generalize to unseen testing data. In this survey, we frame DA methods into three categories based on the diversity of augmented data, including paraphrasing, noising, and sampling. Our paper sets out to analyze DA methods in detail according to the above categories. Further, we also introduce their applications in NLP tasks as well as the challenges. Some helpful resources are provided in the appendix.

Instruction finetuning on a variety of image-text instruction data is the key to obtaining a versatile Multimodal Large Language Model (MLLM), and different configurations of the instruction data can lead to finetuned models with different capabilities. However, we have discovered that data conflicts are inevitable when mixing instruction data from distinct domains, which can result in performance drops for tasks of a specific domain. To address this issue, we propose to apply an efficient Mixture of Experts (MoE) design, which is a sparse Mixture of LoRA Experts (MoLE) for instruction finetuning MLLMs. Within the Transformer layers, we extend the popular Low-Rank Adaption (LoRA) method by creating a set of LoRA experts specifically for the MLP layer, and route each token to the top-1 expert based on a routing function, allowing adaptive choices for tokens from different domains. Since the LoRA experts are sparsely activated, the training and inference cost are kept roughly constant compared to the original LoRA method. By replacing the plain-LoRA of LLaVA-1.5 with our MoE design, our final model is named LLaVA-MoLE. Extensive experiments proved that LLaVA-MoLE effectively mitigates the data conflict issue when mixing multiple distinct instruction datasets with various configurations, and achieves consistent performance gains over the strong plain-LoRA baselines. Most importantly, on the mixed datasets, LLaVA-MoLE can even outperform the plain-LoRA baseline trained with twice the samples.

Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up complex tools, which is in general time-consuming and requires a large amount of human effort. Therefore, recent works have started exploiting large language models (LLM) to lessen such burden and increase the usability of AutoML frameworks via a natural language interface, allowing non-expert users to build their data-driven solutions. These methods, however, are usually designed only for a particular process in the AI development pipeline and do not efficiently use the inherent capacity of the LLMs. This paper proposes AutoML-Agent, a novel multi-agent framework tailored for full-pipeline AutoML, i.e., from data retrieval to model deployment. AutoML-Agent takes user's task descriptions, facilitates collaboration between specialized LLM agents, and delivers deployment-ready models. Unlike existing work, instead of devising a single plan, we introduce a retrieval-augmented planning strategy to enhance exploration to search for more optimal plans. We also decompose each plan into sub-tasks (e.g., data preprocessing and neural network design) each of which is solved by a specialized agent we build via prompting executing in parallel, making the search process more efficient. Moreover, we propose a multi-stage verification to verify executed results and guide the code generation LLM in implementing successful solutions. Extensive experiments on seven downstream tasks using fourteen datasets show that AutoML-Agent achieves a higher success rate in automating the full AutoML process, yielding systems with good performance throughout the diverse domains.

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