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Oct 21

FAIR Jupyter: a knowledge graph approach to semantic sharing and granular exploration of a computational notebook reproducibility dataset

The way in which data are shared can affect their utility and reusability. Here, we demonstrate how data that we had previously shared in bulk can be mobilized further through a knowledge graph that allows for much more granular exploration and interrogation. The original dataset is about the computational reproducibility of GitHub-hosted Jupyter notebooks associated with biomedical publications. It contains rich metadata about the publications, associated GitHub repositories and Jupyter notebooks, and the notebooks' reproducibility. We took this dataset, converted it into semantic triples and loaded these into a triple store to create a knowledge graph, FAIR Jupyter, that we made accessible via a web service. This enables granular data exploration and analysis through queries that can be tailored to specific use cases. Such queries may provide details about any of the variables from the original dataset, highlight relationships between them or combine some of the graph's content with materials from corresponding external resources. We provide a collection of example queries addressing a range of use cases in research and education. We also outline how sets of such queries can be used to profile specific content types, either individually or by class. We conclude by discussing how such a semantically enhanced sharing of complex datasets can both enhance their FAIRness, i.e., their findability, accessibility, interoperability, and reusability, and help identify and communicate best practices, particularly with regards to data quality, standardization, automation and reproducibility.

  • 2 authors
·
Apr 19, 2024

DATED: Guidelines for Creating Synthetic Datasets for Engineering Design Applications

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

  • 3 authors
·
May 15, 2023

Code2Doc: A Quality-First Curated Dataset for Code Documentation

The performance of automatic code documentation generation models depends critically on the quality of the training data used for supervision. However, most existing code documentation datasets are constructed through large scale scraping of public repositories with limited quality control. As a result, they often contain noisy documentation, extensive duplication, and increasing contamination from AI generated content. These issues weaken the supervision signal available to learning-based models and complicate evaluation. We introduce Code2Doc, a quality-first curated dataset for function-level code documentation generation. Code2Doc consists of 13,358 high-quality function-documentation pairs extracted from widely used open-source repositories spanning five programming languages: Python, Java, TypeScript, JavaScript, and C++. The dataset is constructed using a four-stage curation pipeline that enforces documentation completeness and clarity, filters functions based on structural and complexity criteria, removes exact and near-duplicate code, and identifies documentation likely to be AI generated. Starting from 52,069 extracted candidates, only 25.6% satisfy all quality constraints. We provide a detailed analysis of the resulting dataset, which achieves a mean documentation quality score of 6.93 out of 10. Overall, 86.9% of samples contain explicit type annotations, and only 2.9% are flagged as potentially AI generated. Baseline experiments show that fine-tuning a large language model on Code2Doc yields relative improvements of 29.47% in BLEU and 24.04% in ROUGE-L over zero shot performance, despite the modest dataset size. We release both the dataset and the full curation pipeline to support reproducible research on automatic code documentation generation.

  • 2 authors
·
Dec 21, 2025

PTMTorrent: A Dataset for Mining Open-source Pre-trained Model Packages

Due to the cost of developing and training deep learning models from scratch, machine learning engineers have begun to reuse pre-trained models (PTMs) and fine-tune them for downstream tasks. PTM registries known as "model hubs" support engineers in distributing and reusing deep learning models. PTM packages include pre-trained weights, documentation, model architectures, datasets, and metadata. Mining the information in PTM packages will enable the discovery of engineering phenomena and tools to support software engineers. However, accessing this information is difficult - there are many PTM registries, and both the registries and the individual packages may have rate limiting for accessing the data. We present an open-source dataset, PTMTorrent, to facilitate the evaluation and understanding of PTM packages. This paper describes the creation, structure, usage, and limitations of the dataset. The dataset includes a snapshot of 5 model hubs and a total of 15,913 PTM packages. These packages are represented in a uniform data schema for cross-hub mining. We describe prior uses of this data and suggest research opportunities for mining using our dataset. The PTMTorrent dataset (v1) is available at: https://app.globus.org/file-manager?origin_id=55e17a6e-9d8f-11ed-a2a2-8383522b48d9&origin_path=%2F~%2F. Our dataset generation tools are available on GitHub: https://doi.org/10.5281/zenodo.7570357.

  • 8 authors
·
Mar 15, 2023

SldprtNet: A Large-Scale Multimodal Dataset for CAD Generation in Language-Driven 3D Design

We introduce SldprtNet, a large-scale dataset comprising over 242,000 industrial parts, designed for semantic-driven CAD modeling, geometric deep learning, and the training and fine-tuning of multimodal models for 3D design. The dataset provides 3D models in both .step and .sldprt formats to support diverse training and testing. To enable parametric modeling and facilitate dataset scalability, we developed supporting tools, an encoder and a decoder, which support 13 types of CAD commands and enable lossless transformation between 3D models and a structured text representation. Additionally, each sample is paired with a composite image created by merging seven rendered views from different viewpoints of the 3D model, effectively reducing input token length and accelerating inference. By combining this image with the parameterized text output from the encoder, we employ the lightweight multimodal language model Qwen2.5-VL-7B to generate a natural language description of each part's appearance and functionality. To ensure accuracy, we manually verified and aligned the generated descriptions, rendered images, and 3D models. These descriptions, along with the parameterized modeling scripts, rendered images, and 3D model files, are fully aligned to construct SldprtNet. To assess its effectiveness, we fine-tuned baseline models on a dataset subset, comparing image-plus-text inputs with text-only inputs. Results confirm the necessity and value of multimodal datasets for CAD generation. It features carefully selected real-world industrial parts, supporting tools for scalable dataset expansion, diverse modalities, and ensured diversity in model complexity and geometric features, making it a comprehensive multimodal dataset built for semantic-driven CAD modeling and cross-modal learning.

  • 4 authors
·
Mar 12

ComPile: A Large IR Dataset from Production Sources

Code is increasingly becoming a core data modality of modern machine learning research impacting not only the way we write code with conversational agents like OpenAI's ChatGPT, Google's Bard, or Anthropic's Claude, the way we translate code from one language into another, but also the compiler infrastructure underlying the language. While modeling approaches may vary and representations differ, the targeted tasks often remain the same within the individual classes of models. Relying solely on the ability of modern models to extract information from unstructured code does not take advantage of 70 years of programming language and compiler development by not utilizing the structure inherent to programs in the data collection. This detracts from the performance of models working over a tokenized representation of input code and precludes the use of these models in the compiler itself. To work towards the first intermediate representation (IR) based models, we fully utilize the LLVM compiler infrastructure, shared by a number of languages, to generate a 182B token dataset of LLVM IR. We generated this dataset from programming languages built on the shared LLVM infrastructure, including Rust, Swift, Julia, and C/C++, by hooking into LLVM code generation either through the language's package manager or the compiler directly to extract the dataset of intermediate representations from production grade programs. Statistical analysis proves the utility of our dataset not only for large language model training, but also for the introspection into the code generation process itself with the dataset showing great promise for machine-learned compiler components.

  • 9 authors
·
Sep 27, 2023

HLSFactory: A Framework Empowering High-Level Synthesis Datasets for Machine Learning and Beyond

Machine learning (ML) techniques have been applied to high-level synthesis (HLS) flows for quality-of-result (QoR) prediction and design space exploration (DSE). Nevertheless, the scarcity of accessible high-quality HLS datasets and the complexity of building such datasets present challenges. Existing datasets have limitations in terms of benchmark coverage, design space enumeration, vendor extensibility, or lack of reproducible and extensible software for dataset construction. Many works also lack user-friendly ways to add more designs, limiting wider adoption of such datasets. In response to these challenges, we introduce HLSFactory, a comprehensive framework designed to facilitate the curation and generation of high-quality HLS design datasets. HLSFactory has three main stages: 1) a design space expansion stage to elaborate single HLS designs into large design spaces using various optimization directives across multiple vendor tools, 2) a design synthesis stage to execute HLS and FPGA tool flows concurrently across designs, and 3) a data aggregation stage for extracting standardized data into packaged datasets for ML usage. This tripartite architecture ensures broad design space coverage via design space expansion and supports multiple vendor tools. Users can contribute to each stage with their own HLS designs and synthesis results and extend the framework itself with custom frontends and tool flows. We also include an initial set of built-in designs from common HLS benchmarks curated open-source HLS designs. We showcase the versatility and multi-functionality of our framework through seven case studies: I) ML model for QoR prediction; II) Design space sampling; III) Fine-grained parallelism backend speedup; IV) Targeting Intel's HLS flow; V) Adding new auxiliary designs; VI) Integrating published HLS data; VII) HLS tool version regression benchmarking.

  • 10 authors
·
Dec 2, 2024

Open Catalyst Experiments 2024 (OCx24): Bridging Experiments and Computational Models

The search for low-cost, durable, and effective catalysts is essential for green hydrogen production and carbon dioxide upcycling to help in the mitigation of climate change. Discovery of new catalysts is currently limited by the gap between what AI-accelerated computational models predict and what experimental studies produce. To make progress, large and diverse experimental datasets are needed that are reproducible and tested at industrially-relevant conditions. We address these needs by utilizing a comprehensive high-throughput characterization and experimental pipeline to create the Open Catalyst Experiments 2024 (OCX24) dataset. The dataset contains 572 samples synthesized using both wet and dry methods with X-ray fluorescence and X-ray diffraction characterization. We prepared 441 gas diffusion electrodes, including replicates, and evaluated them using zero-gap electrolysis for carbon dioxide reduction (CO_2RR) and hydrogen evolution reactions (HER) at current densities up to 300 mA/cm^2. To find correlations with experimental outcomes and to perform computational screens, DFT-verified adsorption energies for six adsorbates were calculated on sim20,000 inorganic materials requiring 685 million AI-accelerated relaxations. Remarkably from this large set of materials, a data driven Sabatier volcano independently identified Pt as being a top candidate for HER without having any experimental measurements on Pt or Pt-alloy samples. We anticipate the availability of experimental data generated specifically for AI training, such as OCX24, will significantly improve the utility of computational models in selecting materials for experimental screening.

  • 20 authors
·
Nov 17, 2024

Thinking Like an Annotator: Generation of Dataset Labeling Instructions

Large-scale datasets are essential to modern day deep learning. Advocates argue that understanding these methods requires dataset transparency (e.g. "dataset curation, motivation, composition, collection process, etc..."). However, almost no one has suggested the release of the detailed definitions and visual category examples provided to annotators - information critical to understanding the structure of the annotations present in each dataset. These labels are at the heart of public datasets, yet few datasets include the instructions that were used to generate them. We introduce a new task, Labeling Instruction Generation, to address missing publicly available labeling instructions. In Labeling Instruction Generation, we take a reasonably annotated dataset and: 1) generate a set of examples that are visually representative of each category in the dataset; 2) provide a text label that corresponds to each of the examples. We introduce a framework that requires no model training to solve this task and includes a newly created rapid retrieval system that leverages a large, pre-trained vision and language model. This framework acts as a proxy to human annotators that can help to both generate a final labeling instruction set and evaluate its quality. Our framework generates multiple diverse visual and text representations of dataset categories. The optimized instruction set outperforms our strongest baseline across 5 folds by 7.06 mAP for NuImages and 12.9 mAP for COCO.

  • 5 authors
·
Jun 24, 2023 1

Code-Survey: An LLM-Driven Methodology for Analyzing Large-Scale Codebases

Modern software systems like the Linux kernel are among the world's largest and most intricate codebases, continually evolving with new features and increasing complexity. Understanding these systems poses significant challenges due to their scale and the unstructured nature of development artifacts such as commits and mailing list discussions. We introduce Code-Survey, the first LLM-driven methodology designed to systematically explore and analyze large-scale codebases. The central principle behind Code-Survey is to treat LLMs as human participants, acknowledging that software development is also a social activity and thereby enabling the application of established social science techniques. By carefully designing surveys, Code-Survey transforms unstructured data, such as commits, emails, into organized, structured, and analyzable datasets. This enables quantitative analysis of complex software evolution and uncovers valuable insights related to design, implementation, maintenance, reliability, and security. To demonstrate the effectiveness of Code-Survey, we apply it to the Linux kernel's eBPF subsystem. We construct the Linux-bpf dataset, comprising over 670 features and 16,000 commits from the Linux community. Our quantitative analysis uncovers important insights into the evolution of eBPF, such as development patterns, feature interdependencies, and areas requiring attention for reliability and security. The insights have been initially validated by eBPF experts. Furthermore, Code-Survey can be directly applied to other subsystems within Linux and to other large-scale software projects. By providing a versatile tool for systematic analysis, Code-Survey facilitates a deeper understanding of complex software systems, enabling improvements across a variety of domains and supporting a wide range of empirical studies. The code and dataset is open-sourced.

  • 4 authors
·
Sep 24, 2024

Towards CPU Performance Prediction: New Challenge Benchmark Dataset and Novel Approach

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

  • 1 authors
·
Jul 2, 2024

CP-Bench: Evaluating Large Language Models for Constraint Modelling

Combinatorial problems are present in a wide range of industries. Constraint Programming (CP) is a well-suited problem-solving paradigm, but its core process, namely constraint modelling, is a bottleneck for wider adoption. Aiming to alleviate this bottleneck, recent studies have explored using Large Language Models (LLMs) as modelling assistants, transforming combinatorial problem descriptions to executable constraint models, similar to coding assistants. However, the existing evaluation datasets for constraint modelling are often limited to small, homogeneous, or domain-specific instances, which do not capture the diversity of real-world scenarios. This work addresses this gap by introducing CP-Bench, a novel benchmark dataset that includes a diverse set of well-known combinatorial problem classes sourced from the CP community, structured explicitly for evaluating LLM-driven CP modelling. With this dataset, and given the variety of constraint modelling frameworks, we compare and evaluate the modelling capabilities of LLMs for three distinct constraint modelling systems, which vary in abstraction level and underlying syntax: the high-level MiniZinc language and Python-based CPMpy library, and the lower-level Python interface of the OR-Tools CP-SAT solver. In order to enhance the ability of LLMs to produce valid constraint models, we systematically evaluate the use of prompt-based and inference-time compute methods adapted from existing LLM-based code generation research. Our results underscore the modelling convenience provided by Python-based frameworks, as well as the effectiveness of documentation-rich system prompts, which, augmented with repeated sampling and self-verification, achieve further improvements, reaching up to 70\% accuracy on this new, highly challenging benchmark.

  • 3 authors
·
Jun 6, 2025

DataComp: In search of the next generation of multimodal datasets

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

  • 34 authors
·
Apr 27, 2023

An Exploratory Study on Fine-Tuning Large Language Models for Secure Code Generation

AI-powered coding assistants such as GitHub Copilot and OpenAI ChatGPT have achieved notable success in automating code generation. However, these tools rely on pre-trained Large Language Models (LLMs) that are typically trained on human-written code sourced from open-source project hosting sites like GitHub, which often contains inherent security vulnerabilities. These vulnerabilities may then be mirrored in the code generated by these LLMs, a critical risk revealed and highlighted by recent empirical studies. In this work, we present an exploratory study on whether fine-tuning pre-trained LLMs on datasets of vulnerability-fixing commits can promote secure code generation. We explored two parameter-efficient fine-tuning techniques (LoRa and IA3) on two pre-trained LLMs for code generation. We crawled a fine-tuning dataset (14,622 C and C++ files) for secure code generation by collecting code fixes of confirmed vulnerabilities from open-source repositories. Our evaluation dataset comprises 52 vulnerability scenarios designed to cover the top most dangerous C and C++ Common Weakness Enumerations (CWEs). Each scenario is a prompt that may induce LLMs to generate vulnerable code. Our exploration reveals that fine-tuning LLMs can improve secure code generation by 6.4% in C language and 5.4% in C++ language. We further experimented with fine-tuning LLMs using different versions of the collected secure code dataset (block, function, and line). We found that fine-tuning with function-level and block-level datasets achieves the best secure code generation performance, compared to the alternatives (file-level and line-level).

  • 6 authors
·
Aug 16, 2024

MLCPD: A Unified Multi-Language Code Parsing Dataset with Universal AST Schema

We introduce the MultiLang Code Parser Dataset (MLCPD), a large-scale, language-agnostic dataset unifying syntactic and structural representations of code across ten major programming languages. MLCPD contains over seven million parsed source files normalized under our proposed universal Abstract Syntax Tree (AST) schema, enabling consistent cross-language reasoning, structural learning, and multilingual software analysis. Unlike existing corpora that focus purely on token-level code or isolated parsers, MLCPD provides both hierarchical tree representations and rich metadata for every file, ensuring lossless syntactic coverage and structural uniformity. Each entry includes a normalized schema, language-level metadata, and abstracted node semantics stored in Parquet format for scalable retrieval. Empirical analyses reveal strong cross-language structural regularities-demonstrating that syntactic graphs from languages as diverse as Python, Java, and Go can be aligned under a shared schema. We release the dataset publicly on Hugging Face and the accompanying codebase on GitHub, which includes complete pipelines for dataset reproduction, grammar compilation, and a visualization tool for exploring the unified AST across languages. Together, these resources establish MLCPD as an open, reproducible foundation for future research in cross-language representation learning and program analysis.

  • 2 authors
·
Oct 18, 2025

DatasetResearch: Benchmarking Agent Systems for Demand-Driven Dataset Discovery

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

  • 7 authors
·
Aug 9, 2025

Can Large Language Models Replace Data Scientists in Clinical Research?

Data science plays a critical role in clinical research, but it requires professionals with expertise in coding and medical data analysis. Large language models (LLMs) have shown great potential in supporting medical tasks and performing well in general coding tests. However, these tests do not assess LLMs' ability to handle data science tasks in medicine, nor do they explore their practical utility in clinical research. To address this, we developed a dataset consisting of 293 real-world data science coding tasks, based on 39 published clinical studies, covering 128 tasks in Python and 165 tasks in R. This dataset simulates realistic clinical research scenarios using patient data. Our findings reveal that cutting-edge LLMs struggle to generate perfect solutions, frequently failing to follow input instructions, understand target data, and adhere to standard analysis practices. Consequently, LLMs are not yet ready to fully automate data science tasks. We benchmarked advanced adaptation methods and found two to be particularly effective: chain-of-thought prompting, which provides a step-by-step plan for data analysis, which led to a 60% improvement in code accuracy; and self-reflection, enabling LLMs to iteratively refine their code, yielding a 38% accuracy improvement. Building on these insights, we developed a platform that integrates LLMs into the data science workflow for medical professionals. In a user study with five medical doctors, we found that while LLMs cannot fully automate coding tasks, they significantly streamline the programming process. We found that 80% of their submitted code solutions were incorporated from LLM-generated code, with up to 96% reuse in some cases. Our analysis highlights the potential of LLMs, when integrated into expert workflows, to enhance data science efficiency in clinical research.

  • 5 authors
·
Oct 28, 2024

FSD50K: An Open Dataset of Human-Labeled Sound Events

Most existing datasets for sound event recognition (SER) are relatively small and/or domain-specific, with the exception of AudioSet, based on over 2M tracks from YouTube videos and encompassing over 500 sound classes. However, AudioSet is not an open dataset as its official release consists of pre-computed audio features. Downloading the original audio tracks can be problematic due to YouTube videos gradually disappearing and usage rights issues. To provide an alternative benchmark dataset and thus foster SER research, we introduce FSD50K, an open dataset containing over 51k audio clips totalling over 100h of audio manually labeled using 200 classes drawn from the AudioSet Ontology. The audio clips are licensed under Creative Commons licenses, making the dataset freely distributable (including waveforms). We provide a detailed description of the FSD50K creation process, tailored to the particularities of Freesound data, including challenges encountered and solutions adopted. We include a comprehensive dataset characterization along with discussion of limitations and key factors to allow its audio-informed usage. Finally, we conduct sound event classification experiments to provide baseline systems as well as insight on the main factors to consider when splitting Freesound audio data for SER. Our goal is to develop a dataset to be widely adopted by the community as a new open benchmark for SER research.

  • 5 authors
·
Oct 1, 2020

VeriCoder: Enhancing LLM-Based RTL Code Generation through Functional Correctness Validation

Recent advances in Large Language Models (LLMs) have sparked growing interest in applying them to Electronic Design Automation (EDA) tasks, particularly Register Transfer Level (RTL) code generation. While several RTL datasets have been introduced, most focus on syntactic validity rather than functional validation with tests, leading to training examples that compile but may not implement the intended behavior. We present VERICODER, a model for RTL code generation fine-tuned on a dataset validated for functional correctness. This fine-tuning dataset is constructed using a novel methodology that combines unit test generation with feedback-directed refinement. Given a natural language specification and an initial RTL design, we prompt a teacher model (GPT-4o-mini) to generate unit tests and iteratively revise the RTL design based on its simulation results using the generated tests. If necessary, the teacher model also updates the tests to ensure they comply with the natural language specification. As a result of this process, every example in our dataset is functionally validated, consisting of a natural language description, an RTL implementation, and passing tests. Fine-tuned on this dataset of over 125,000 examples, VERICODER achieves state-of-the-art metrics in functional correctness on VerilogEval and RTLLM, with relative gains of up to 71.7% and 27.4% respectively. An ablation study further shows that models trained on our functionally validated dataset outperform those trained on functionally non-validated datasets, underscoring the importance of high-quality datasets in RTL code generation.

  • 8 authors
·
Apr 22, 2025

BiblioPage: A Dataset of Scanned Title Pages for Bibliographic Metadata Extraction

Manual digitization of bibliographic metadata is time consuming and labor intensive, especially for historical and real-world archives with highly variable formatting across documents. Despite advances in machine learning, the absence of dedicated datasets for metadata extraction hinders automation. To address this gap, we introduce BiblioPage, a dataset of scanned title pages annotated with structured bibliographic metadata. The dataset consists of approximately 2,000 monograph title pages collected from 14 Czech libraries, spanning a wide range of publication periods, typographic styles, and layout structures. Each title page is annotated with 16 bibliographic attributes, including title, contributors, and publication metadata, along with precise positional information in the form of bounding boxes. To extract structured information from this dataset, we valuated object detection models such as YOLO and DETR combined with transformer-based OCR, achieving a maximum mAP of 52 and an F1 score of 59. Additionally, we assess the performance of various visual large language models, including LlamA 3.2-Vision and GPT-4o, with the best model reaching an F1 score of 67. BiblioPage serves as a real-world benchmark for bibliographic metadata extraction, contributing to document understanding, document question answering, and document information extraction. Dataset and evaluation scripts are availible at: https://github.com/DCGM/biblio-dataset

  • 4 authors
·
Mar 25, 2025 2

Do Datasets Have Politics? Disciplinary Values in Computer Vision Dataset Development

Data is a crucial component of machine learning. The field is reliant on data to train, validate, and test models. With increased technical capabilities, machine learning research has boomed in both academic and industry settings, and one major focus has been on computer vision. Computer vision is a popular domain of machine learning increasingly pertinent to real-world applications, from facial recognition in policing to object detection for autonomous vehicles. Given computer vision's propensity to shape machine learning research and impact human life, we seek to understand disciplinary practices around dataset documentation - how data is collected, curated, annotated, and packaged into datasets for computer vision researchers and practitioners to use for model tuning and development. Specifically, we examine what dataset documentation communicates about the underlying values of vision data and the larger practices and goals of computer vision as a field. To conduct this study, we collected a corpus of about 500 computer vision datasets, from which we sampled 114 dataset publications across different vision tasks. Through both a structured and thematic content analysis, we document a number of values around accepted data practices, what makes desirable data, and the treatment of humans in the dataset construction process. We discuss how computer vision datasets authors value efficiency at the expense of care; universality at the expense of contextuality; impartiality at the expense of positionality; and model work at the expense of data work. Many of the silenced values we identify sit in opposition with social computing practices. We conclude with suggestions on how to better incorporate silenced values into the dataset creation and curation process.

  • 3 authors
·
Aug 9, 2021

Evaluation of Code LLMs on Geospatial Code Generation

Software development support tools have been studied for a long time, with recent approaches using Large Language Models (LLMs) for code generation. These models can generate Python code for data science and machine learning applications. LLMs are helpful for software engineers because they increase productivity in daily work. An LLM can also serve as a "mentor" for inexperienced software developers, and be a viable learning support. High-quality code generation with LLMs can also be beneficial in geospatial data science. However, this domain poses different challenges, and code generation LLMs are typically not evaluated on geospatial tasks. Here, we show how we constructed an evaluation benchmark for code generation models, based on a selection of geospatial tasks. We categorised geospatial tasks based on their complexity and required tools. Then, we created a dataset with tasks that test model capabilities in spatial reasoning, spatial data processing, and geospatial tools usage. The dataset consists of specific coding problems that were manually created for high quality. For every problem, we proposed a set of test scenarios that make it possible to automatically check the generated code for correctness. In addition, we tested a selection of existing code generation LLMs for code generation in the geospatial domain. We share our dataset and reproducible evaluation code on a public GitHub repository, arguing that this can serve as an evaluation benchmark for new LLMs in the future. Our dataset will hopefully contribute to the development new models capable of solving geospatial coding tasks with high accuracy. These models will enable the creation of coding assistants tailored for geospatial applications.

  • 3 authors
·
Oct 6, 2024

Rubric Is All You Need: Enhancing LLM-based Code Evaluation With Question-Specific Rubrics

Since the emergence of Large Language Models (LLMs) popularized by the release of GPT-3 and ChatGPT, LLMs have shown remarkable promise in programming-related tasks. While code generation using LLMs has become a popular field of research, code evaluation using LLMs remains under-explored. In this paper, we focus on LLM-based code evaluation and attempt to fill in the existing gaps. We propose multi-agentic novel approaches using question-specific rubrics tailored to the problem statement, arguing that these perform better for logical assessment than the existing approaches that use question-agnostic rubrics. To address the lack of suitable evaluation datasets, we introduce two datasets: a Data Structures and Algorithms dataset containing 150 student submissions from a popular Data Structures and Algorithms practice website, and an Object Oriented Programming dataset comprising 80 student submissions from undergraduate computer science courses. In addition to using standard metrics (Spearman Correlation, Cohen's Kappa), we additionally propose a new metric called as Leniency, which quantifies evaluation strictness relative to expert assessment. Our comprehensive analysis demonstrates that question-specific rubrics significantly enhance logical assessment of code in educational settings, providing better feedback aligned with instructional goals beyond mere syntactic correctness.

  • 14 authors
·
Aug 5, 2025

SynthRAD2023 Grand Challenge dataset: generating synthetic CT for radiotherapy

Purpose: Medical imaging has become increasingly important in diagnosing and treating oncological patients, particularly in radiotherapy. Recent advances in synthetic computed tomography (sCT) generation have increased interest in public challenges to provide data and evaluation metrics for comparing different approaches openly. This paper describes a dataset of brain and pelvis computed tomography (CT) images with rigidly registered CBCT and MRI images to facilitate the development and evaluation of sCT generation for radiotherapy planning. Acquisition and validation methods: The dataset consists of CT, CBCT, and MRI of 540 brains and 540 pelvic radiotherapy patients from three Dutch university medical centers. Subjects' ages ranged from 3 to 93 years, with a mean age of 60. Various scanner models and acquisition settings were used across patients from the three data-providing centers. Details are available in CSV files provided with the datasets. Data format and usage notes: The data is available on Zenodo (https://doi.org/10.5281/zenodo.7260705) under the SynthRAD2023 collection. The images for each subject are available in nifti format. Potential applications: This dataset will enable the evaluation and development of image synthesis algorithms for radiotherapy purposes on a realistic multi-center dataset with varying acquisition protocols. Synthetic CT generation has numerous applications in radiation therapy, including diagnosis, treatment planning, treatment monitoring, and surgical planning.

  • 9 authors
·
Mar 28, 2023

Android in the Wild: A Large-Scale Dataset for Android Device Control

There is a growing interest in device-control systems that can interpret human natural language instructions and execute them on a digital device by directly controlling its user interface. We present a dataset for device-control research, Android in the Wild (AITW), which is orders of magnitude larger than current datasets. The dataset contains human demonstrations of device interactions, including the screens and actions, and corresponding natural language instructions. It consists of 715k episodes spanning 30k unique instructions, four versions of Android (v10-13),and eight device types (Pixel 2 XL to Pixel 6) with varying screen resolutions. It contains multi-step tasks that require semantic understanding of language and visual context. This dataset poses a new challenge: actions available through the user interface must be inferred from their visual appearance. And, instead of simple UI element-based actions, the action space consists of precise gestures (e.g., horizontal scrolls to operate carousel widgets). We organize our dataset to encourage robustness analysis of device-control systems, i.e., how well a system performs in the presence of new task descriptions, new applications, or new platform versions. We develop two agents and report performance across the dataset. The dataset is available at https://github.com/google-research/google-research/tree/master/android_in_the_wild.

  • 5 authors
·
Jul 19, 2023 1

The Open Catalyst 2020 (OC20) Dataset and Community Challenges

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

  • 17 authors
·
Oct 19, 2020

Enhancing Formal Theorem Proving: A Comprehensive Dataset for Training AI Models on Coq Code

In the realm of formal theorem proving, the Coq proof assistant stands out for its rigorous approach to verifying mathematical assertions and software correctness. Despite the advances in artificial intelligence and machine learning, the specialized nature of Coq syntax and semantics poses unique challenges for Large Language Models (LLMs). Addressing this gap, we present a comprehensive dataset specifically designed to enhance LLMs' proficiency in interpreting and generating Coq code. This dataset, derived from a collection of over 10,000 Coq source files, encompasses a wide array of propositions, proofs, and definitions, enriched with metadata including source references and licensing information. Our primary aim is to facilitate the development of LLMs capable of generating syntactically correct and semantically meaningful Coq constructs, thereby advancing the frontier of automated theorem proving. Initial experiments with this dataset have showcased its significant potential; models trained on this data exhibited enhanced accuracy in Coq code generation. Notably, a particular experiment revealed that a fine-tuned LLM was capable of generating 141 valid proofs for a basic lemma, highlighting the dataset's utility in facilitating the discovery of diverse and valid proof strategies. This paper discusses the dataset's composition, the methodology behind its creation, and the implications of our findings for the future of machine learning in formal verification. The dataset is accessible for further research and exploration: https://huggingface.co/datasets/florath/coq-facts-props-proofs-gen0-v1

  • 1 authors
·
Mar 19, 2024

TPCpp-10M: Simulated proton-proton collisions in a Time Projection Chamber for AI Foundation Models

Scientific foundation models hold great promise for advancing nuclear and particle physics by improving analysis precision and accelerating discovery. Yet, progress in this field is often limited by the lack of openly available large scale datasets, as well as standardized evaluation tasks and metrics. Furthermore, the specialized knowledge and software typically required to process particle physics data pose significant barriers to interdisciplinary collaboration with the broader machine learning community. This work introduces a large, openly accessible dataset of 10 million simulated proton-proton collisions, designed to support self-supervised training of foundation models. To facilitate ease of use, the dataset is provided in a common NumPy format. In addition, it includes 70,000 labeled examples spanning three well defined downstream tasks: track finding, particle identification, and noise tagging, to enable systematic evaluation of the foundation model's adaptability. The simulated data are generated using the Pythia Monte Carlo event generator at a center of mass energy of sqrt(s) = 200 GeV and processed with Geant4 to include realistic detector conditions and signal emulation in the sPHENIX Time Projection Chamber at the Relativistic Heavy Ion Collider, located at Brookhaven National Laboratory. This dataset resource establishes a common ground for interdisciplinary research, enabling machine learning scientists and physicists alike to explore scaling behaviors, assess transferability, and accelerate progress toward foundation models in nuclear and high energy physics. The complete simulation and reconstruction chain is reproducible with the sPHENIX software stack. All data and code locations are provided under Data Accessibility.

  • 13 authors
·
Sep 5, 2025

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

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

  • 34 authors
·
Oct 6, 2023

MIG: Automatic Data Selection for Instruction Tuning by Maximizing Information Gain in Semantic Space

Data quality and diversity are key to the construction of effective instruction-tuning datasets. % With the increasing availability of open-source instruction-tuning datasets, it is advantageous to automatically select high-quality and diverse subsets from a vast amount of data. % Existing methods typically prioritize instance quality and use heuristic rules to maintain diversity. % However, this absence of a comprehensive view of the entire collection often leads to suboptimal results. % Moreover, heuristic rules generally focus on distance or clustering within the embedding space, which fails to accurately capture the intent of complex instructions in the semantic space. % To bridge this gap, we propose a unified method for quantifying the information content of datasets. This method models the semantic space by constructing a label graph and quantifies diversity based on the distribution of information within the graph. % Based on such a measurement, we further introduce an efficient sampling method that selects data samples iteratively to Maximize the Information Gain (MIG) in semantic space. % Experiments on various datasets and base models demonstrate that MIG consistently outperforms state-of-the-art methods. % Notably, the model fine-tuned with 5\% Tulu3 data sampled by MIG achieves comparable performance to the official SFT model trained on the full dataset, with improvements of +5.73\% on AlpacaEval and +6.89\% on Wildbench.

  • 6 authors
·
Apr 18, 2025 3

The Harvard USPTO Patent Dataset: A Large-Scale, Well-Structured, and Multi-Purpose Corpus of Patent Applications

Innovation is a major driver of economic and social development, and information about many kinds of innovation is embedded in semi-structured data from patents and patent applications. Although the impact and novelty of innovations expressed in patent data are difficult to measure through traditional means, ML offers a promising set of techniques for evaluating novelty, summarizing contributions, and embedding semantics. In this paper, we introduce the Harvard USPTO Patent Dataset (HUPD), a large-scale, well-structured, and multi-purpose corpus of English-language patent applications filed to the United States Patent and Trademark Office (USPTO) between 2004 and 2018. With more than 4.5 million patent documents, HUPD is two to three times larger than comparable corpora. Unlike previously proposed patent datasets in NLP, HUPD contains the inventor-submitted versions of patent applications--not the final versions of granted patents--thereby allowing us to study patentability at the time of filing using NLP methods for the first time. It is also novel in its inclusion of rich structured metadata alongside the text of patent filings: By providing each application's metadata along with all of its text fields, the dataset enables researchers to perform new sets of NLP tasks that leverage variation in structured covariates. As a case study on the types of research HUPD makes possible, we introduce a new task to the NLP community--namely, binary classification of patent decisions. We additionally show the structured metadata provided in the dataset enables us to conduct explicit studies of concept shifts for this task. Finally, we demonstrate how HUPD can be used for three additional tasks: multi-class classification of patent subject areas, language modeling, and summarization.

  • 5 authors
·
Jul 8, 2022

A Benchmark Time Series Dataset for Semiconductor Fabrication Manufacturing Constructed using Component-based Discrete-Event Simulation Models

Advancements in high-computing devices increase the necessity for improved and new understanding and development of smart manufacturing factories. Discrete-event models with simulators have been shown to be critical to architect, designing, building, and operating the manufacturing of semiconductor chips. The diffusion, implantation, and lithography machines have intricate processes due to their feedforward and feedback connectivity. The dataset collected from simulations of the factory models holds the promise of generating valuable machine-learning models. As surrogate data-based models, their executions are highly efficient compared to the physics-based counterpart models. For the development of surrogate models, it is beneficial to have publicly available benchmark simulation models that are grounded in factory models that have concise structures and accurate behaviors. Hence, in this research, a dataset is devised and constructed based on a benchmark model of an Intel semiconductor fabrication factory. The model is formalized using the Parallel Discrete-Event System Specification and executed using the DEVS-Suite simulator. The time series dataset is constructed using discrete-event time trajectories. This dataset is further analyzed and used to develop baseline univariate and multivariate machine learning models. The dataset can also be utilized in the machine learning community for behavioral analysis based on formalized and scalable component-based discrete-event models and simulations.

  • 4 authors
·
Aug 17, 2024

Identifying Climate Targets in National Laws and Policies using Machine Learning

Quantified policy targets are a fundamental element of climate policy, typically characterised by domain-specific and technical language. Current methods for curating comprehensive views of global climate policy targets entail significant manual effort. At present there are few scalable methods for extracting climate targets from national laws or policies, which limits policymakers' and researchers' ability to (1) assess private and public sector alignment with global goals and (2) inform policy decisions. In this paper we present an approach for extracting mentions of climate targets from national laws and policies. We create an expert-annotated dataset identifying three categories of target ('Net Zero', 'Reduction' and 'Other' (e.g. renewable energy targets)) and train a classifier to reliably identify them in text. We investigate bias and equity impacts related to our model and identify specific years and country names as problematic features. Finally, we investigate the characteristics of the dataset produced by running this classifier on the Climate Policy Radar (CPR) dataset of global national climate laws and policies and UNFCCC submissions, highlighting the potential of automated and scalable data collection for existing climate policy databases and supporting further research. Our work represents a significant upgrade in the accessibility of these key climate policy elements for policymakers and researchers. We publish our model at https://huggingface.co/ClimatePolicyRadar/national-climate-targets and related dataset at https://huggingface.co/datasets/ClimatePolicyRadar/national-climate-targets.

  • 7 authors
·
Apr 3, 2024

Towards Neural Synthesis for SMT-Assisted Proof-Oriented Programming

Proof-oriented programs mix computational content with proofs of program correctness. However, the human effort involved in programming and proving is still substantial, despite the use of Satisfiability Modulo Theories (SMT) solvers to automate proofs in languages such as F*. Seeking to spur research on using AI to automate the construction of proof-oriented programs, we curate a dataset of 600K lines of open-source F* programs and proofs, including software used in production systems ranging from Windows and Linux, to Python and Firefox. Our dataset includes around 32K top-level F* definitions, each representing a type-directed program and proof synthesis problem -- producing a definition given a formal specification expressed as an F* type. We provide a program-fragment checker that queries F* to check the correctness of candidate solutions. We believe this is the largest corpus of SMT-assisted program proofs coupled with a reproducible program-fragment checker. Grounded in this dataset, we investigate the use of AI to synthesize programs and their proofs in F*, with promising results. Our main finding in that the performance of fine-tuned smaller language models (such as Phi-2 or StarCoder) compare favorably with large language models (such as GPT-4), at a much lower computational cost. We also identify various type-based retrieval augmentation techniques and find that they boost performance significantly. With detailed error analysis and case studies, we identify potential strengths and weaknesses of models and techniques and suggest directions for future improvements.

  • 7 authors
·
May 2, 2024

SCP-116K: A High-Quality Problem-Solution Dataset and a Generalized Pipeline for Automated Extraction in the Higher Education Science Domain

Recent breakthroughs in large language models (LLMs) exemplified by the impressive mathematical and scientific reasoning capabilities of the o1 model have spotlighted the critical importance of high-quality training data in advancing LLM performance across STEM disciplines. While the mathematics community has benefited from a growing body of curated datasets, the scientific domain at the higher education level has long suffered from a scarcity of comparable resources. To address this gap, we present SCP-116K, a new large-scale dataset of 116,756 high-quality problem-solution pairs, automatically extracted from heterogeneous sources using a streamlined and highly generalizable pipeline. Our approach involves stringent filtering to ensure the scientific rigor and educational level of the extracted materials, while maintaining adaptability for future expansions or domain transfers. By openly releasing both the dataset and the extraction pipeline, we seek to foster research on scientific reasoning, enable comprehensive performance evaluations of new LLMs, and lower the barrier to replicating the successes of advanced models like o1 in the broader science community. We believe SCP-116K will serve as a critical resource, catalyzing progress in high-level scientific reasoning tasks and promoting further innovations in LLM development. The dataset and code are publicly available at https://github.com/AQA6666/SCP-116K-open.

  • 8 authors
·
Jan 26, 2025

Analog and Multi-modal Manufacturing Datasets Acquired on the Future Factories Platform V2

This paper presents two industry-grade datasets captured during an 8-hour continuous operation of the manufacturing assembly line at the Future Factories Lab, University of South Carolina, on 08/13/2024. The datasets adhere to industry standards, covering communication protocols, actuators, control mechanisms, transducers, sensors, and cameras. Data collection utilized both integrated and external sensors throughout the laboratory, including sensors embedded within the actuators and externally installed devices. Additionally, high-performance cameras captured key aspects of the operation. In a prior experiment [1], a 30-hour continuous run was conducted, during which all anomalies were documented. Maintenance procedures were subsequently implemented to reduce potential errors and operational disruptions. The two datasets include: (1) a time-series analog dataset, and (2) a multi-modal time-series dataset containing synchronized system data and images. These datasets aim to support future research in advancing manufacturing processes by providing a platform for testing novel algorithms without the need to recreate physical manufacturing environments. Moreover, the datasets are open-source and designed to facilitate the training of artificial intelligence models, streamlining research by offering comprehensive, ready-to-use resources for various applications and projects.

  • 11 authors
·
Feb 7, 2025

DCA-Bench: A Benchmark for Dataset Curation Agents

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

  • 5 authors
·
Jun 11, 2024

SciBench: Evaluating College-Level Scientific Problem-Solving Abilities of Large Language Models

Recent advances in large language models (LLMs) have demonstrated notable progress on many mathematical benchmarks. However, most of these benchmarks only feature problems grounded in junior and senior high school subjects, contain only multiple-choice questions, and are confined to a limited scope of elementary arithmetic operations. To address these issues, this paper introduces an expansive benchmark suite SciBench that aims to systematically examine the reasoning capabilities required for complex scientific problem solving. SciBench contains two carefully curated datasets: an open set featuring a range of collegiate-level scientific problems drawn from mathematics, chemistry, and physics textbooks, and a closed set comprising problems from undergraduate-level exams in computer science and mathematics. Based on the two datasets, we conduct an in-depth benchmark study of two representative LLMs with various prompting strategies. The results reveal that current LLMs fall short of delivering satisfactory performance, with an overall score of merely 35.80%. Furthermore, through a detailed user study, we categorize the errors made by LLMs into ten problem-solving abilities. Our analysis indicates that no single prompting strategy significantly outperforms others and some strategies that demonstrate improvements in certain problem-solving skills result in declines in other skills. We envision that SciBench will catalyze further developments in the reasoning abilities of LLMs, thereby ultimately contributing to scientific research and discovery.

  • 10 authors
·
Jul 20, 2023

Methods2Test: A dataset of focal methods mapped to test cases

Unit testing is an essential part of the software development process, which helps to identify issues with source code in early stages of development and prevent regressions. Machine learning has emerged as viable approach to help software developers generate automated unit tests. However, generating reliable unit test cases that are semantically correct and capable of catching software bugs or unintended behavior via machine learning requires large, metadata-rich, datasets. In this paper we present Methods2Test: A dataset of focal methods mapped to test cases: a large, supervised dataset of test cases mapped to corresponding methods under test (i.e., focal methods). This dataset contains 780,944 pairs of JUnit tests and focal methods, extracted from a total of 91,385 Java open source projects hosted on GitHub with licenses permitting re-distribution. The main challenge behind the creation of the Methods2Test was to establish a reliable mapping between a test case and the relevant focal method. To this aim, we designed a set of heuristics, based on developers' best practices in software testing, which identify the likely focal method for a given test case. To facilitate further analysis, we store a rich set of metadata for each method-test pair in JSON-formatted files. Additionally, we extract textual corpus from the dataset at different context levels, which we provide both in raw and tokenized forms, in order to enable researchers to train and evaluate machine learning models for Automated Test Generation. Methods2Test is publicly available at: https://github.com/microsoft/methods2test

  • 4 authors
·
Mar 23, 2022

IndustryShapes: An RGB-D Benchmark dataset for 6D object pose estimation of industrial assembly components and tools

We introduce IndustryShapes, a new RGB-D benchmark dataset of industrial tools and components, designed for both instance-level and novel object 6D pose estimation approaches. The dataset provides a realistic and application-relevant testbed for benchmarking these methods in the context of industrial robotics bridging the gap between lab-based research and deployment in real-world manufacturing scenarios. Unlike many previous datasets that focus on household or consumer products or use synthetic, clean tabletop datasets, or objects captured solely in controlled lab environments, IndustryShapes introduces five new object types with challenging properties, also captured in realistic industrial assembly settings. The dataset has diverse complexity, from simple to more challenging scenes, with single and multiple objects, including scenes with multiple instances of the same object and it is organized in two parts: the classic set and the extended set. The classic set includes a total of 4,6k images and 6k annotated poses. The extended set introduces additional data modalities to support the evaluation of model-free and sequence-based approaches. To the best of our knowledge, IndustryShapes is the first dataset to offer RGB-D static onboarding sequences. We further evaluate the dataset on a representative set of state-of-the art methods for instance-based and novel object 6D pose estimation, including also object detection, segmentation, showing that there is room for improvement in this domain. The dataset page can be found in https://pose-lab.github.io/IndustryShapes.

  • 5 authors
·
Feb 5

OpenLLM-RTL: Open Dataset and Benchmark for LLM-Aided Design RTL Generation

The automated generation of design RTL based on large language model (LLM) and natural language instructions has demonstrated great potential in agile circuit design. However, the lack of datasets and benchmarks in the public domain prevents the development and fair evaluation of LLM solutions. This paper highlights our latest advances in open datasets and benchmarks from three perspectives: (1) RTLLM 2.0, an updated benchmark assessing LLM's capability in design RTL generation. The benchmark is augmented to 50 hand-crafted designs. Each design provides the design description, test cases, and a correct RTL code. (2) AssertEval, an open-source benchmark assessing the LLM's assertion generation capabilities for RTL verification. The benchmark includes 18 designs, each providing specification, signal definition, and correct RTL code. (3) RTLCoder-Data, an extended open-source dataset with 80K instruction-code data samples. Moreover, we propose a new verification-based method to verify the functionality correctness of training data samples. Based on this technique, we further release a dataset with 7K verified high-quality samples. These three studies are integrated into one framework, providing off-the-shelf support for the development and evaluation of LLMs for RTL code generation and verification. Finally, extensive experiments indicate that LLM performance can be boosted by enlarging the training dataset, improving data quality, and improving the training scheme.

  • 5 authors
·
Mar 19, 2025

ReDef: Do Code Language Models Truly Understand Code Changes for Just-in-Time Software Defect Prediction?

Just-in-Time software defect prediction (JIT-SDP) plays a critical role in prioritizing risky code changes during code review and continuous integration. However, existing datasets often suffer from noisy labels and low precision in identifying bug-inducing commits. To address this, we present ReDef (Revert-based Defect dataset), a high-confidence benchmark of function-level modifications curated from 22 large-scale C/C++ projects. Defective cases are anchored by revert commits, while clean cases are validated through post-hoc history checks. Ambiguous instances are conservatively filtered out via a GPT-assisted triage process involving multiple votes and audits. This pipeline yields 3,164 defective and 10,268 clean modifications, offering substantially more reliable labels than prior resources. Beyond dataset construction, we provide a systematic evaluation of how Code Language Models (CLMs)-specifically CodeBERT, CodeT5+, UniXcoder, and Qwen2.5-reason about code modifications. We first investigate which input encodings most effectively expose change information under five different strategies. We then design four counterfactual perturbation strategies (e.g., swapping added/deleted blocks, inverting diff polarity) to serve as diagnostic probes. We posit that if models genuinely capture change semantics, such distortions should lead to a clear decline in predictive performance. Our results show that compact diff-style encodings consistently outperform whole-function formats across all CLMs, supported by rigorous statistical confirmation. However, under counterfactual tests, performance remains effectively stable, revealing that what appears to be robustness in fact reflects a reliance on superficial cues rather than true semantic understanding.

  • 4 authors
·
Apr 1

CPED: A Large-Scale Chinese Personalized and Emotional Dialogue Dataset for Conversational AI

Human language expression is based on the subjective construal of the situation instead of the objective truth conditions, which means that speakers' personalities and emotions after cognitive processing have an important influence on conversation. However, most existing datasets for conversational AI ignore human personalities and emotions, or only consider part of them. It's difficult for dialogue systems to understand speakers' personalities and emotions although large-scale pre-training language models have been widely used. In order to consider both personalities and emotions in the process of conversation generation, we propose CPED, a large-scale Chinese personalized and emotional dialogue dataset, which consists of multi-source knowledge related to empathy and personal characteristic. These knowledge covers gender, Big Five personality traits, 13 emotions, 19 dialogue acts and 10 scenes. CPED contains more than 12K dialogues of 392 speakers from 40 TV shows. We release the textual dataset with audio features and video features according to the copyright claims, privacy issues, terms of service of video platforms. We provide detailed description of the CPED construction process and introduce three tasks for conversational AI, including personality recognition, emotion recognition in conversations as well as personalized and emotional conversation generation. Finally, we provide baseline systems for these tasks and consider the function of speakers' personalities and emotions on conversation. Our motivation is to propose a dataset to be widely adopted by the NLP community as a new open benchmark for conversational AI research. The full dataset is available at https://github.com/scutcyr/CPED.

  • 8 authors
·
May 29, 2022

MegaScience: Pushing the Frontiers of Post-Training Datasets for Science Reasoning

Scientific reasoning is critical for developing AI scientists and supporting human researchers in advancing the frontiers of natural science discovery. However, the open-source community has primarily focused on mathematics and coding while neglecting the scientific domain, largely due to the absence of open, large-scale, high-quality, verifiable scientific reasoning datasets. To bridge this gap, we first present TextbookReasoning, an open dataset featuring truthful reference answers extracted from 12k university-level scientific textbooks, comprising 650k reasoning questions spanning 7 scientific disciplines. We further introduce MegaScience, a large-scale mixture of high-quality open-source datasets totaling 1.25 million instances, developed through systematic ablation studies that evaluate various data selection methodologies to identify the optimal subset for each publicly available scientific dataset. Meanwhile, we build a comprehensive evaluation system covering diverse subjects and question types across 15 benchmarks, incorporating comprehensive answer extraction strategies to ensure accurate evaluation metrics. Our experiments demonstrate that our datasets achieve superior performance and training efficiency with more concise response lengths compared to existing open-source scientific datasets. Furthermore, we train Llama3.1, Qwen2.5, and Qwen3 series base models on MegaScience, which significantly outperform the corresponding official instruct models in average performance. In addition, MegaScience exhibits greater effectiveness for larger and stronger models, suggesting a scaling benefit for scientific tuning. We release our data curation pipeline, evaluation system, datasets, and seven trained models to the community to advance scientific reasoning research.

  • 3 authors
·
Jul 22, 2025 2

Enhancing Reverse Engineering: Investigating and Benchmarking Large Language Models for Vulnerability Analysis in Decompiled Binaries

Security experts reverse engineer (decompile) binary code to identify critical security vulnerabilities. The limited access to source code in vital systems - such as firmware, drivers, and proprietary software used in Critical Infrastructures (CI) - makes this analysis even more crucial on the binary level. Even with available source code, a semantic gap persists after compilation between the source and the binary code executed by the processor. This gap may hinder the detection of vulnerabilities in source code. That being said, current research on Large Language Models (LLMs) overlooks the significance of decompiled binaries in this area by focusing solely on source code. In this work, we are the first to empirically uncover the substantial semantic limitations of state-of-the-art LLMs when it comes to analyzing vulnerabilities in decompiled binaries, largely due to the absence of relevant datasets. To bridge the gap, we introduce DeBinVul, a novel decompiled binary code vulnerability dataset. Our dataset is multi-architecture and multi-optimization, focusing on C/C++ due to their wide usage in CI and association with numerous vulnerabilities. Specifically, we curate 150,872 samples of vulnerable and non-vulnerable decompiled binary code for the task of (i) identifying; (ii) classifying; (iii) describing vulnerabilities; and (iv) recovering function names in the domain of decompiled binaries. Subsequently, we fine-tune state-of-the-art LLMs using DeBinVul and report on a performance increase of 19%, 24%, and 21% in the capabilities of CodeLlama, Llama3, and CodeGen2 respectively, in detecting binary code vulnerabilities. Additionally, using DeBinVul, we report a high performance of 80-90% on the vulnerability classification task. Furthermore, we report improved performance in function name recovery and vulnerability description tasks.

  • 6 authors
·
Nov 7, 2024

ClimateSet: A Large-Scale Climate Model Dataset for Machine Learning

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.

  • 9 authors
·
Nov 6, 2023

Patherea: Cell Detection and Classification for the 2020s

This paper presents a Patherea, a framework for point-based cell detection and classification that provides a complete solution for developing and evaluating state-of-the-art approaches. We introduce a large-scale dataset collected to directly replicate a clinical workflow for Ki-67 proliferation index estimation and use it to develop an efficient point-based approach that directly predicts point-based predictions, without the need for intermediate representations. The proposed approach effectively utilizes point proposal candidates with the hybrid Hungarian matching strategy and a flexible architecture that enables the usage of various backbones and (pre)training strategies. We report state-of-the-art results on existing public datasets - Lizard, BRCA-M2C, BCData, and the newly proposed Patherea dataset. We show that the performance on existing public datasets is saturated and that the newly proposed Patherea dataset represents a significantly harder challenge for the recently proposed approaches. We also demonstrate the effectiveness of recently proposed pathology foundational models that our proposed approach can natively utilize and benefit from. We also revisit the evaluation protocol that is used in the broader field of cell detection and classification and identify the erroneous calculation of performance metrics. Patherea provides a benchmarking utility that addresses the identified issues and enables a fair comparison of different approaches. The dataset and the code will be publicly released upon acceptance.

  • 6 authors
·
Dec 20, 2024