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Mar 11

Retrosynthetic Planning with Dual Value Networks

Retrosynthesis, which aims to find a route to synthesize a target molecule from commercially available starting materials, is a critical task in drug discovery and materials design. Recently, the combination of ML-based single-step reaction predictors with multi-step planners has led to promising results. However, the single-step predictors are mostly trained offline to optimize the single-step accuracy, without considering complete routes. Here, we leverage reinforcement learning (RL) to improve the single-step predictor, by using a tree-shaped MDP to optimize complete routes. Specifically, we propose a novel online training algorithm, called Planning with Dual Value Networks (PDVN), which alternates between the planning phase and updating phase. In PDVN, we construct two separate value networks to predict the synthesizability and cost of molecules, respectively. To maintain the single-step accuracy, we design a two-branch network structure for the single-step predictor. On the widely-used USPTO dataset, our PDVN algorithm improves the search success rate of existing multi-step planners (e.g., increasing the success rate from 85.79% to 98.95% for Retro*, and reducing the number of model calls by half while solving 99.47% molecules for RetroGraph). Additionally, PDVN helps find shorter synthesis routes (e.g., reducing the average route length from 5.76 to 4.83 for Retro*, and from 5.63 to 4.78 for RetroGraph).

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.

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.

Machine Learning for Shipwreck Segmentation from Side Scan Sonar Imagery: Dataset and Benchmark

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

PeaTMOSS: A Dataset and Initial Analysis of Pre-Trained Models in Open-Source Software

The development and training of deep learning models have become increasingly costly and complex. Consequently, software engineers are adopting pre-trained models (PTMs) for their downstream applications. The dynamics of the PTM supply chain remain largely unexplored, signaling a clear need for structured datasets that document not only the metadata but also the subsequent applications of these models. Without such data, the MSR community cannot comprehensively understand the impact of PTM adoption and reuse. This paper presents the PeaTMOSS dataset, which comprises metadata for 281,638 PTMs and detailed snapshots for all PTMs with over 50 monthly downloads (14,296 PTMs), along with 28,575 open-source software repositories from GitHub that utilize these models. Additionally, the dataset includes 44,337 mappings from 15,129 downstream GitHub repositories to the 2,530 PTMs they use. To enhance the dataset's comprehensiveness, we developed prompts for a large language model to automatically extract model metadata, including the model's training datasets, parameters, and evaluation metrics. Our analysis of this dataset provides the first summary statistics for the PTM supply chain, showing the trend of PTM development and common shortcomings of PTM package documentation. Our example application reveals inconsistencies in software licenses across PTMs and their dependent projects. PeaTMOSS lays the foundation for future research, offering rich opportunities to investigate the PTM supply chain. We outline mining opportunities on PTMs, their downstream usage, and cross-cutting questions.

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.

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.

Revisiting Table Detection Datasets for Visually Rich Documents

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

The Data Provenance Initiative: A Large Scale Audit of Dataset Licensing & Attribution in AI

The race to train language models on vast, diverse, and inconsistently documented datasets has raised pressing concerns about the legal and ethical risks for practitioners. To remedy these practices threatening data transparency and understanding, we convene a multi-disciplinary effort between legal and machine learning experts to systematically audit and trace 1800+ text datasets. We develop tools and standards to trace the lineage of these datasets, from their source, creators, series of license conditions, properties, and subsequent use. Our landscape analysis highlights the sharp divides in composition and focus of commercially open vs closed datasets, with closed datasets monopolizing important categories: lower resource languages, more creative tasks, richer topic variety, newer and more synthetic training data. This points to a deepening divide in the types of data that are made available under different license conditions, and heightened implications for jurisdictional legal interpretations of copyright and fair use. We also observe frequent miscategorization of licenses on widely used dataset hosting sites, with license omission of 72%+ and error rates of 50%+. This points to a crisis in misattribution and informed use of the most popular datasets driving many recent breakthroughs. As a contribution to ongoing improvements in dataset transparency and responsible use, we release our entire audit, with an interactive UI, the Data Provenance Explorer, which allows practitioners to trace and filter on data provenance for the most popular open source finetuning data collections: www.dataprovenance.org.

PatentSBERTa: A Deep NLP based Hybrid Model for Patent Distance and Classification using Augmented SBERT

This study provides an efficient approach for using text data to calculate patent-to-patent (p2p) technological similarity, and presents a hybrid framework for leveraging the resulting p2p similarity for applications such as semantic search and automated patent classification. We create embeddings using Sentence-BERT (SBERT) based on patent claims. We leverage SBERTs efficiency in creating embedding distance measures to map p2p similarity in large sets of patent data. We deploy our framework for classification with a simple Nearest Neighbors (KNN) model that predicts Cooperative Patent Classification (CPC) of a patent based on the class assignment of the K patents with the highest p2p similarity. We thereby validate that the p2p similarity captures their technological features in terms of CPC overlap, and at the same demonstrate the usefulness of this approach for automatic patent classification based on text data. Furthermore, the presented classification framework is simple and the results easy to interpret and evaluate by end-users. In the out-of-sample model validation, we are able to perform a multi-label prediction of all assigned CPC classes on the subclass (663) level on 1,492,294 patents with an accuracy of 54% and F1 score > 66%, which suggests that our model outperforms the current state-of-the-art in text-based multi-label and multi-class patent classification. We furthermore discuss the applicability of the presented framework for semantic IP search, patent landscaping, and technology intelligence. We finally point towards a future research agenda for leveraging multi-source patent embeddings, their appropriateness across applications, as well as to improve and validate patent embeddings by creating domain-expert curated Semantic Textual Similarity (STS) benchmark datasets.

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.

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.

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

SWE-Bench+: Enhanced Coding Benchmark for LLMs

Large Language Models (LLMs) in Software Engineering (SE) can offer assistance for coding. To facilitate a rigorous evaluation of LLMs in practical coding contexts, Carlos et al. introduced the SWE-bench dataset, which comprises 2,294 real-world GitHub issues and their corresponding pull requests, collected from 12 widely used Python repositories. Several impressive LLM-based toolkits recently are developed and evaluated on this dataset. However, a systematic evaluation of the quality of SWE-bench remains missing. In this paper, we addressed this gap by presenting an empirical analysis of the SWE-bench dataset. We conducted a manual screening of instances where SWEAgent + GPT-4 successfully resolved issues by comparing the model-generated patches with the actual pull requests. SWE-Agent+GPT-4 was at the top of SWE-bench leaderboard during the time of our study. Our analysis reveals some critical issues with the SWE-bench dataset: 1) 32.67% of the successful patches involve cheating as the solutions were directly provided in the issue report or the comments. We refer to as solution leakage problem. 2) 31.08% of the passed patches are suspicious patches due to weak test cases, i.e., the tests were not adequate to verify the correctness of a patch. When we filtered out these problematic issues, the resolution rate of SWE-Agent+GPT-4 dropped from 12.47% to 3.97%. We also observed that the same data quality issues also exist in the two variants of SWE-bench, i.e., SWE-bench Lite and SWE-Bench Verified. In addition, over 94% of the issues were created before LLM's knowledge cutoff dates, posing potential data leakage issues.

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 .

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

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

Arboretum: A Large Multimodal Dataset Enabling AI for Biodiversity

We introduce Arboretum, the largest publicly accessible dataset designed to advance AI for biodiversity applications. This dataset, curated from the iNaturalist community science platform and vetted by domain experts to ensure accuracy, includes 134.6 million images, surpassing existing datasets in scale by an order of magnitude. The dataset encompasses image-language paired data for a diverse set of species from birds (Aves), spiders/ticks/mites (Arachnida), insects (Insecta), plants (Plantae), fungus/mushrooms (Fungi), snails (Mollusca), and snakes/lizards (Reptilia), making it a valuable resource for multimodal vision-language AI models for biodiversity assessment and agriculture research. Each image is annotated with scientific names, taxonomic details, and common names, enhancing the robustness of AI model training. We showcase the value of Arboretum by releasing a suite of CLIP models trained using a subset of 40 million captioned images. We introduce several new benchmarks for rigorous assessment, report accuracy for zero-shot learning, and evaluations across life stages, rare species, confounding species, and various levels of the taxonomic hierarchy. We anticipate that Arboretum will spur the development of AI models that can enable a variety of digital tools ranging from pest control strategies, crop monitoring, and worldwide biodiversity assessment and environmental conservation. These advancements are critical for ensuring food security, preserving ecosystems, and mitigating the impacts of climate change. Arboretum is publicly available, easily accessible, and ready for immediate use. Please see the https://baskargroup.github.io/Arboretum/{project website} for links to our data, models, and code.

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.

MMSci: A Multimodal Multi-Discipline Dataset for PhD-Level Scientific Comprehension

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

Intelligent System for Automated Molecular Patent Infringement Assessment

Automated drug discovery offers significant potential for accelerating the development of novel therapeutics by substituting labor-intensive human workflows with machine-driven processes. However, molecules generated by artificial intelligence may unintentionally infringe on existing patents, posing legal and financial risks that impede the full automation of drug discovery pipelines. This paper introduces PatentFinder, a novel multi-agent and tool-enhanced intelligence system that can accurately and comprehensively evaluate small molecules for patent infringement. PatentFinder features five specialized agents that collaboratively analyze patent claims and molecular structures with heuristic and model-based tools, generating interpretable infringement reports. To support systematic evaluation, we curate MolPatent-240, a benchmark dataset tailored for patent infringement assessment algorithms. On this benchmark, PatentFinder outperforms baseline methods that rely solely on large language models or specialized chemical tools, achieving a 13.8% improvement in F1-score and a 12% increase in accuracy. Additionally, PatentFinder autonomously generates detailed and interpretable patent infringement reports, showcasing enhanced accuracy and improved interpretability. The high accuracy and interpretability of PatentFinder make it a valuable and reliable tool for automating patent infringement assessments, offering a practical solution for integrating patent protection analysis into the drug discovery pipeline.

What indeed can GPT models do in chemistry? A comprehensive benchmark on eight tasks

Large Language Models (LLMs) with strong abilities in natural language processing tasks have emerged and have been rapidly applied in various kinds of areas such as science, finance and software engineering. However, the capability of LLMs to advance the field of chemistry remains unclear. In this paper,we establish a comprehensive benchmark containing 8 practical chemistry tasks, including 1) name prediction, 2) property prediction, 3) yield prediction, 4) reaction prediction, 5) retrosynthesis (prediction of reactants from products), 6)text-based molecule design, 7) molecule captioning, and 8) reagent selection. Our analysis draws on widely recognized datasets including BBBP, Tox21, PubChem, USPTO, and ChEBI, facilitating a broad exploration of the capacities of LLMs within the context of practical chemistry. Three GPT models (GPT-4, GPT-3.5,and Davinci-003) are evaluated for each chemistry task in zero-shot and few-shot in-context learning settings with carefully selected demonstration examples and specially crafted prompts. The key results of our investigation are 1) GPT-4 outperforms the other two models among the three evaluated; 2) GPT models exhibit less competitive performance in tasks demanding precise understanding of molecular SMILES representation, such as reaction prediction and retrosynthesis;3) GPT models demonstrate strong capabilities in text-related explanation tasks such as molecule captioning; and 4) GPT models exhibit comparable or better performance to classical machine learning models when applied to chemical problems that can be transformed into classification or ranking tasks, such as property prediction, and yield prediction.

MASSW: A New Dataset and Benchmark Tasks for AI-Assisted Scientific Workflows

Scientific innovation relies on detailed workflows, which include critical steps such as analyzing literature, generating ideas, validating these ideas, interpreting results, and inspiring follow-up research. However, scientific publications that document these workflows are extensive and unstructured. This makes it difficult for both human researchers and AI systems to effectively navigate and explore the space of scientific innovation. To address this issue, we introduce MASSW, a comprehensive text dataset on Multi-Aspect Summarization of Scientific Workflows. MASSW includes more than 152,000 peer-reviewed publications from 17 leading computer science conferences spanning the past 50 years. Using Large Language Models (LLMs), we automatically extract five core aspects from these publications -- context, key idea, method, outcome, and projected impact -- which correspond to five key steps in the research workflow. These structured summaries facilitate a variety of downstream tasks and analyses. The quality of the LLM-extracted summaries is validated by comparing them with human annotations. We demonstrate the utility of MASSW through multiple novel machine-learning tasks that can be benchmarked using this new dataset, which make various types of predictions and recommendations along the scientific workflow. MASSW holds significant potential for researchers to create and benchmark new AI methods for optimizing scientific workflows and fostering scientific innovation in the field. Our dataset is openly available at https://github.com/xingjian-zhang/massw.

Improving the detection of technical debt in Java source code with an enriched dataset

Technical debt (TD) is a term used to describe the additional work and costs that emerge when developers have opted for a quick and easy solution to a problem, rather than a more effective and well-designed, but time-consuming approach. Self-Admitted Technical Debts (SATDs) are a specific type of technical debts that developers intentionally document and acknowledge, typically via textual comments. While these self-admitted comments are a useful tool for identifying technical debts, most of the existing approaches focus on capturing crucial tokens associated with various categories of TD, neglecting the rich information embedded within the source code itself. Recent research has focused on detecting SATDs by analyzing comments embedded in source code, and there has been little work dealing with technical debts contained in the source code. To fill such a gap, in this study, through the analysis of comments and their associated source code from 974 Java projects hosted in the Stack corpus, we curated the first ever dataset of TD identified by code comments, coupled with its associated source code. Through an empirical evaluation, we found out that the comments of the resulting dataset help enhance the prediction performance of state-of-the-art SATD detection models. More importantly, including the classified source code significantly improves the accuracy in predicting various types of technical debt. In this respect, our work is two-fold: (i) We believe that our dataset will catalyze future work in the domain, inspiring various research issues related to the recognition of technical debt; (ii) The proposed classifiers may serve as baselines for other studies on the detection of TD by means of the curated dataset.

GIRT-Data: Sampling GitHub Issue Report Templates

GitHub's issue reports provide developers with valuable information that is essential to the evolution of a software development project. Contributors can use these reports to perform software engineering tasks like submitting bugs, requesting features, and collaborating on ideas. In the initial versions of issue reports, there was no standard way of using them. As a result, the quality of issue reports varied widely. To improve the quality of issue reports, GitHub introduced issue report templates (IRTs), which pre-fill issue descriptions when a new issue is opened. An IRT usually contains greeting contributors, describing project guidelines, and collecting relevant information. However, despite of effectiveness of this feature which was introduced in 2016, only nearly 5% of GitHub repositories (with more than 10 stars) utilize it. There are currently few articles on IRTs, and the available ones only consider a small number of repositories. In this work, we introduce GIRT-Data, the first and largest dataset of IRTs in both YAML and Markdown format. This dataset and its corresponding open-source crawler tool are intended to support research in this area and to encourage more developers to use IRTs in their repositories. The stable version of the dataset contains 1,084,300 repositories and 50,032 of them support IRTs. The stable version of the dataset and crawler is available here: https://github.com/kargaranamir/girt-data

SciClaimHunt: A Large Dataset for Evidence-based Scientific Claim Verification

Verifying scientific claims presents a significantly greater challenge than verifying political or news-related claims. Unlike the relatively broad audience for political claims, the users of scientific claim verification systems can vary widely, ranging from researchers testing specific hypotheses to everyday users seeking information on a medication. Additionally, the evidence for scientific claims is often highly complex, involving technical terminology and intricate domain-specific concepts that require specialized models for accurate verification. Despite considerable interest from the research community, there is a noticeable lack of large-scale scientific claim verification datasets to benchmark and train effective models. To bridge this gap, we introduce two large-scale datasets, SciClaimHunt and SciClaimHunt_Num, derived from scientific research papers. We propose several baseline models tailored for scientific claim verification to assess the effectiveness of these datasets. Additionally, we evaluate models trained on SciClaimHunt and SciClaimHunt_Num against existing scientific claim verification datasets to gauge their quality and reliability. Furthermore, we conduct human evaluations of the claims in proposed datasets and perform error analysis to assess the effectiveness of the proposed baseline models. Our findings indicate that SciClaimHunt and SciClaimHunt_Num serve as highly reliable resources for training models in scientific claim verification.

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.

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.

Crowdsourcing Dermatology Images with Google Search Ads: Creating a Real-World Skin Condition Dataset

Background: Health datasets from clinical sources do not reflect the breadth and diversity of disease in the real world, impacting research, medical education, and artificial intelligence (AI) tool development. Dermatology is a suitable area to develop and test a new and scalable method to create representative health datasets. Methods: We used Google Search advertisements to invite contributions to an open access dataset of images of dermatology conditions, demographic and symptom information. With informed contributor consent, we describe and release this dataset containing 10,408 images from 5,033 contributions from internet users in the United States over 8 months starting March 2023. The dataset includes dermatologist condition labels as well as estimated Fitzpatrick Skin Type (eFST) and Monk Skin Tone (eMST) labels for the images. Results: We received a median of 22 submissions/day (IQR 14-30). Female (66.72%) and younger (52% < age 40) contributors had a higher representation in the dataset compared to the US population, and 32.6% of contributors reported a non-White racial or ethnic identity. Over 97.5% of contributions were genuine images of skin conditions. Dermatologist confidence in assigning a differential diagnosis increased with the number of available variables, and showed a weaker correlation with image sharpness (Spearman's P values <0.001 and 0.01 respectively). Most contributions were short-duration (54% with onset < 7 days ago ) and 89% were allergic, infectious, or inflammatory conditions. eFST and eMST distributions reflected the geographical origin of the dataset. The dataset is available at github.com/google-research-datasets/scin . Conclusion: Search ads are effective at crowdsourcing images of health conditions. The SCIN dataset bridges important gaps in the availability of representative images of common skin conditions.

TabReD: A Benchmark of Tabular Machine Learning in-the-Wild

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

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.

CycleResearcher: Improving Automated Research via Automated Review

The automation of scientific discovery has been a long-standing goal within the research community, driven by the potential to accelerate knowledge creation. While significant progress has been made using commercial large language models (LLMs) as research assistants or idea generators, the possibility of automating the entire research process with open-source LLMs remains largely unexplored. This paper explores the feasibility of using open-source post-trained LLMs as autonomous agents capable of performing the full cycle of automated research and review, from literature review and manuscript preparation to peer review and paper revision. Our iterative preference training framework consists of CycleResearcher, which conducts research tasks, and CycleReviewer, which simulates the peer review process, providing iterative feedback via reinforcement learning. To train these models, we develop two new datasets, Review-5k and Research-14k, reflecting real-world machine learning research and peer review dynamics. Our results demonstrate that CycleReviewer achieves a 26.89\% improvement in mean absolute error (MAE) over individual human reviewers in predicting paper scores, indicating that LLMs can surpass expert-level performance in research evaluation. In research, the papers generated by the CycleResearcher model achieved a score of 5.36 in simulated peer reviews, surpassing the preprint level of 5.24 from human experts and approaching the accepted paper level of 5.69. This work represents a significant step toward fully automated scientific inquiry, providing ethical safeguards and advancing AI-driven research capabilities. The code, dataset and model weight are released at http://github/minjun-zhu/Researcher.

CIVICS: Building a Dataset for Examining Culturally-Informed Values in Large Language Models

This paper introduces the "CIVICS: Culturally-Informed & Values-Inclusive Corpus for Societal impacts" dataset, designed to evaluate the social and cultural variation of Large Language Models (LLMs) across multiple languages and value-sensitive topics. We create a hand-crafted, multilingual dataset of value-laden prompts which address specific socially sensitive topics, including LGBTQI rights, social welfare, immigration, disability rights, and surrogacy. CIVICS is designed to generate responses showing LLMs' encoded and implicit values. Through our dynamic annotation processes, tailored prompt design, and experiments, we investigate how open-weight LLMs respond to value-sensitive issues, exploring their behavior across diverse linguistic and cultural contexts. Using two experimental set-ups based on log-probabilities and long-form responses, we show social and cultural variability across different LLMs. Specifically, experiments involving long-form responses demonstrate that refusals are triggered disparately across models, but consistently and more frequently in English or translated statements. Moreover, specific topics and sources lead to more pronounced differences across model answers, particularly on immigration, LGBTQI rights, and social welfare. As shown by our experiments, the CIVICS dataset aims to serve as a tool for future research, promoting reproducibility and transparency across broader linguistic settings, and furthering the development of AI technologies that respect and reflect global cultural diversities and value pluralism. The CIVICS dataset and tools will be made available upon publication under open licenses; an anonymized version is currently available at https://huggingface.co/CIVICS-dataset.

T2ISafety: Benchmark for Assessing Fairness, Toxicity, and Privacy in Image Generation

Text-to-image (T2I) models have rapidly advanced, enabling the generation of high-quality images from text prompts across various domains. However, these models present notable safety concerns, including the risk of generating harmful, biased, or private content. Current research on assessing T2I safety remains in its early stages. While some efforts have been made to evaluate models on specific safety dimensions, many critical risks remain unexplored. To address this gap, we introduce T2ISafety, a safety benchmark that evaluates T2I models across three key domains: toxicity, fairness, and bias. We build a detailed hierarchy of 12 tasks and 44 categories based on these three domains, and meticulously collect 70K corresponding prompts. Based on this taxonomy and prompt set, we build a large-scale T2I dataset with 68K manually annotated images and train an evaluator capable of detecting critical risks that previous work has failed to identify, including risks that even ultra-large proprietary models like GPTs cannot correctly detect. We evaluate 12 prominent diffusion models on T2ISafety and reveal several concerns including persistent issues with racial fairness, a tendency to generate toxic content, and significant variation in privacy protection across the models, even with defense methods like concept erasing. Data and evaluator are released under https://github.com/adwardlee/t2i_safety.

MerRec: A Large-scale Multipurpose Mercari Dataset for Consumer-to-Consumer Recommendation Systems

In the evolving e-commerce field, recommendation systems crucially shape user experience and engagement. The rise of Consumer-to-Consumer (C2C) recommendation systems, noted for their flexibility and ease of access for customer vendors, marks a significant trend. However, the academic focus remains largely on Business-to-Consumer (B2C) models, leaving a gap filled by the limited C2C recommendation datasets that lack in item attributes, user diversity, and scale. The intricacy of C2C recommendation systems is further accentuated by the dual roles users assume as both sellers and buyers, introducing a spectrum of less uniform and varied inputs. Addressing this, we introduce MerRec, the first large-scale dataset specifically for C2C recommendations, sourced from the Mercari e-commerce platform, covering millions of users and products over 6 months in 2023. MerRec not only includes standard features such as user_id, item_id, and session_id, but also unique elements like timestamped action types, product taxonomy, and textual product attributes, offering a comprehensive dataset for research. This dataset, extensively evaluated across six recommendation tasks, establishes a new benchmark for the development of advanced recommendation algorithms in real-world scenarios, bridging the gap between academia and industry and propelling the study of C2C recommendations.

How Many Van Goghs Does It Take to Van Gogh? Finding the Imitation Threshold

Text-to-image models are trained using large datasets collected by scraping image-text pairs from the internet. These datasets often include private, copyrighted, and licensed material. Training models on such datasets enables them to generate images with such content, which might violate copyright laws and individual privacy. This phenomenon is termed imitation -- generation of images with content that has recognizable similarity to its training images. In this work we study the relationship between a concept's frequency in the training dataset and the ability of a model to imitate it. We seek to determine the point at which a model was trained on enough instances to imitate a concept -- the imitation threshold. We posit this question as a new problem: Finding the Imitation Threshold (FIT) and propose an efficient approach that estimates the imitation threshold without incurring the colossal cost of training multiple models from scratch. We experiment with two domains -- human faces and art styles -- for which we create four datasets, and evaluate three text-to-image models which were trained on two pretraining datasets. Our results reveal that the imitation threshold of these models is in the range of 200-600 images, depending on the domain and the model. The imitation threshold can provide an empirical basis for copyright violation claims and acts as a guiding principle for text-to-image model developers that aim to comply with copyright and privacy laws. We release the code and data at https://github.com/vsahil/MIMETIC-2.git and the project's website is hosted at https://how-many-van-goghs-does-it-take.github.io.

American Stories: A Large-Scale Structured Text Dataset of Historical U.S. Newspapers

Existing full text datasets of U.S. public domain newspapers do not recognize the often complex layouts of newspaper scans, and as a result the digitized content scrambles texts from articles, headlines, captions, advertisements, and other layout regions. OCR quality can also be low. This study develops a novel, deep learning pipeline for extracting full article texts from newspaper images and applies it to the nearly 20 million scans in Library of Congress's public domain Chronicling America collection. The pipeline includes layout detection, legibility classification, custom OCR, and association of article texts spanning multiple bounding boxes. To achieve high scalability, it is built with efficient architectures designed for mobile phones. The resulting American Stories dataset provides high quality data that could be used for pre-training a large language model to achieve better understanding of historical English and historical world knowledge. The dataset could also be added to the external database of a retrieval-augmented language model to make historical information - ranging from interpretations of political events to minutiae about the lives of people's ancestors - more widely accessible. Furthermore, structured article texts facilitate using transformer-based methods for popular social science applications like topic classification, detection of reproduced content, and news story clustering. Finally, American Stories provides a massive silver quality dataset for innovating multimodal layout analysis models and other multimodal applications.

Bridging the Data Provenance Gap Across Text, Speech and Video

Progress in AI is driven largely by the scale and quality of training data. Despite this, there is a deficit of empirical analysis examining the attributes of well-established datasets beyond text. In this work we conduct the largest and first-of-its-kind longitudinal audit across modalities--popular text, speech, and video datasets--from their detailed sourcing trends and use restrictions to their geographical and linguistic representation. Our manual analysis covers nearly 4000 public datasets between 1990-2024, spanning 608 languages, 798 sources, 659 organizations, and 67 countries. We find that multimodal machine learning applications have overwhelmingly turned to web-crawled, synthetic, and social media platforms, such as YouTube, for their training sets, eclipsing all other sources since 2019. Secondly, tracing the chain of dataset derivations we find that while less than 33% of datasets are restrictively licensed, over 80% of the source content in widely-used text, speech, and video datasets, carry non-commercial restrictions. Finally, counter to the rising number of languages and geographies represented in public AI training datasets, our audit demonstrates measures of relative geographical and multilingual representation have failed to significantly improve their coverage since 2013. We believe the breadth of our audit enables us to empirically examine trends in data sourcing, restrictions, and Western-centricity at an ecosystem-level, and that visibility into these questions are essential to progress in responsible AI. As a contribution to ongoing improvements in dataset transparency and responsible use, we release our entire multimodal audit, allowing practitioners to trace data provenance across text, speech, and video.

Extending the WILDS Benchmark for Unsupervised Adaptation

Machine learning systems deployed in the wild are often trained on a source distribution but deployed on a different target distribution. Unlabeled data can be a powerful point of leverage for mitigating these distribution shifts, as it is frequently much more available than labeled data and can often be obtained from distributions beyond the source distribution as well. However, existing distribution shift benchmarks with unlabeled data do not reflect the breadth of scenarios that arise in real-world applications. In this work, we present the WILDS 2.0 update, which extends 8 of the 10 datasets in the WILDS benchmark of distribution shifts to include curated unlabeled data that would be realistically obtainable in deployment. These datasets span a wide range of applications (from histology to wildlife conservation), tasks (classification, regression, and detection), and modalities (photos, satellite images, microscope slides, text, molecular graphs). The update maintains consistency with the original WILDS benchmark by using identical labeled training, validation, and test sets, as well as the evaluation metrics. On these datasets, we systematically benchmark state-of-the-art methods that leverage unlabeled data, including domain-invariant, self-training, and self-supervised methods, and show that their success on WILDS is limited. To facilitate method development and evaluation, we provide an open-source package that automates data loading and contains all of the model architectures and methods used in this paper. Code and leaderboards are available at https://wilds.stanford.edu.

A Dataset for the Validation of Truth Inference Algorithms Suitable for Online Deployment

For the purpose of efficient and cost-effective large-scale data labeling, crowdsourcing is increasingly being utilized. To guarantee the quality of data labeling, multiple annotations need to be collected for each data sample, and truth inference algorithms have been developed to accurately infer the true labels. Despite previous studies having released public datasets to evaluate the efficacy of truth inference algorithms, these have typically focused on a single type of crowdsourcing task and neglected the temporal information associated with workers' annotation activities. These limitations significantly restrict the practical applicability of these algorithms, particularly in the context of long-term and online truth inference. In this paper, we introduce a substantial crowdsourcing annotation dataset collected from a real-world crowdsourcing platform. This dataset comprises approximately two thousand workers, one million tasks, and six million annotations. The data was gathered over a period of approximately six months from various types of tasks, and the timestamps of each annotation were preserved. We analyze the characteristics of the dataset from multiple perspectives and evaluate the effectiveness of several representative truth inference algorithms on this dataset. We anticipate that this dataset will stimulate future research on tracking workers' abilities over time in relation to different types of tasks, as well as enhancing online truth inference.

Valentine: Evaluating Matching Techniques for Dataset Discovery

Data scientists today search large data lakes to discover and integrate datasets. In order to bring together disparate data sources, dataset discovery methods rely on some form of schema matching: the process of establishing correspondences between datasets. Traditionally, schema matching has been used to find matching pairs of columns between a source and a target schema. However, the use of schema matching in dataset discovery methods differs from its original use. Nowadays schema matching serves as a building block for indicating and ranking inter-dataset relationships. Surprisingly, although a discovery method's success relies highly on the quality of the underlying matching algorithms, the latest discovery methods employ existing schema matching algorithms in an ad-hoc fashion due to the lack of openly-available datasets with ground truth, reference method implementations, and evaluation metrics. In this paper, we aim to rectify the problem of evaluating the effectiveness and efficiency of schema matching methods for the specific needs of dataset discovery. To this end, we propose Valentine, an extensible open-source experiment suite to execute and organize large-scale automated matching experiments on tabular data. Valentine includes implementations of seminal schema matching methods that we either implemented from scratch (due to absence of open source code) or imported from open repositories. The contributions of Valentine are: i) the definition of four schema matching scenarios as encountered in dataset discovery methods, ii) a principled dataset fabrication process tailored to the scope of dataset discovery methods and iii) the most comprehensive evaluation of schema matching techniques to date, offering insight on the strengths and weaknesses of existing techniques, that can serve as a guide for employing schema matching in future dataset discovery methods.

Intellectual Property Protection for Deep Learning Model and Dataset Intelligence

With the growing applications of Deep Learning (DL), especially recent spectacular achievements of Large Language Models (LLMs) such as ChatGPT and LLaMA, the commercial significance of these remarkable models has soared. However, acquiring well-trained models is costly and resource-intensive. It requires a considerable high-quality dataset, substantial investment in dedicated architecture design, expensive computational resources, and efforts to develop technical expertise. Consequently, safeguarding the Intellectual Property (IP) of well-trained models is attracting increasing attention. In contrast to existing surveys overwhelmingly focusing on model IPP mainly, this survey not only encompasses the protection on model level intelligence but also valuable dataset intelligence. Firstly, according to the requirements for effective IPP design, this work systematically summarizes the general and scheme-specific performance evaluation metrics. Secondly, from proactive IP infringement prevention and reactive IP ownership verification perspectives, it comprehensively investigates and analyzes the existing IPP methods for both dataset and model intelligence. Additionally, from the standpoint of training settings, it delves into the unique challenges that distributed settings pose to IPP compared to centralized settings. Furthermore, this work examines various attacks faced by deep IPP techniques. Finally, we outline prospects for promising future directions that may act as a guide for innovative research.

WIT-UAS: A Wildland-fire Infrared Thermal Dataset to Detect Crew Assets From Aerial Views

We present the Wildland-fire Infrared Thermal (WIT-UAS) dataset for long-wave infrared sensing of crew and vehicle assets amidst prescribed wildland fire environments. While such a dataset is crucial for safety monitoring in wildland fire applications, to the authors' awareness, no such dataset focusing on assets near fire is publicly available. Presumably, this is due to the barrier to entry of collaborating with fire management personnel. We present two related data subsets: WIT-UAS-ROS consists of full ROS bag files containing sensor and robot data of UAS flight over the fire, and WIT-UAS-Image contains hand-labeled long-wave infrared (LWIR) images extracted from WIT-UAS-ROS. Our dataset is the first to focus on asset detection in a wildland fire environment. We show that thermal detection models trained without fire data frequently detect false positives by classifying fire as people. By adding our dataset to training, we show that the false positive rate is reduced significantly. Yet asset detection in wildland fire environments is still significantly more challenging than detection in urban environments, due to dense obscuring trees, greater heat variation, and overbearing thermal signal of the fire. We publicize this dataset to encourage the community to study more advanced models to tackle this challenging environment. The dataset, code and pretrained models are available at https://github.com/castacks/WIT-UAS-Dataset.

Job-SDF: A Multi-Granularity Dataset for Job Skill Demand Forecasting and Benchmarking

In a rapidly evolving job market, skill demand forecasting is crucial as it enables policymakers and businesses to anticipate and adapt to changes, ensuring that workforce skills align with market needs, thereby enhancing productivity and competitiveness. Additionally, by identifying emerging skill requirements, it directs individuals towards relevant training and education opportunities, promoting continuous self-learning and development. However, the absence of comprehensive datasets presents a significant challenge, impeding research and the advancement of this field. To bridge this gap, we present Job-SDF, a dataset designed to train and benchmark job-skill demand forecasting models. Based on 10.35 million public job advertisements collected from major online recruitment platforms in China between 2021 and 2023, this dataset encompasses monthly recruitment demand for 2,324 types of skills across 521 companies. Our dataset uniquely enables evaluating skill demand forecasting models at various granularities, including occupation, company, and regional levels. We benchmark a range of models on this dataset, evaluating their performance in standard scenarios, in predictions focused on lower value ranges, and in the presence of structural breaks, providing new insights for further research. Our code and dataset are publicly accessible via the https://github.com/Job-SDF/benchmark.

LaDe: The First Comprehensive Last-mile Delivery Dataset from Industry

Real-world last-mile delivery datasets are crucial for research in logistics, supply chain management, and spatio-temporal data mining. Despite a plethora of algorithms developed to date, no widely accepted, publicly available last-mile delivery dataset exists to support research in this field. In this paper, we introduce LaDe, the first publicly available last-mile delivery dataset with millions of packages from the industry. LaDe has three unique characteristics: (1) Large-scale. It involves 10,677k packages of 21k couriers over 6 months of real-world operation. (2) Comprehensive information. It offers original package information, such as its location and time requirements, as well as task-event information, which records when and where the courier is while events such as task-accept and task-finish events happen. (3) Diversity. The dataset includes data from various scenarios, including package pick-up and delivery, and from multiple cities, each with its unique spatio-temporal patterns due to their distinct characteristics such as populations. We verify LaDe on three tasks by running several classical baseline models per task. We believe that the large-scale, comprehensive, diverse feature of LaDe can offer unparalleled opportunities to researchers in the supply chain community, data mining community, and beyond. The dataset homepage is publicly available at https://huggingface.co/datasets/Cainiao-AI/LaDe.

Relation Extraction in underexplored biomedical domains: A diversity-optimised sampling and synthetic data generation approach

The sparsity of labelled data is an obstacle to the development of Relation Extraction models and the completion of databases in various biomedical areas. While being of high interest in drug-discovery, the natural-products literature, reporting the identification of potential bioactive compounds from organisms, is a concrete example of such an overlooked topic. To mark the start of this new task, we created the first curated evaluation dataset and extracted literature items from the LOTUS database to build training sets. To this end, we developed a new sampler inspired by diversity metrics in ecology, named Greedy Maximum Entropy sampler, or GME-sampler (https://github.com/idiap/gme-sampler). The strategic optimization of both balance and diversity of the selected items in the evaluation set is important given the resource-intensive nature of manual curation. After quantifying the noise in the training set, in the form of discrepancies between the input abstracts text and the expected output labels, we explored different strategies accordingly. Framing the task as an end-to-end Relation Extraction, we evaluated the performance of standard fine-tuning as a generative task and few-shot learning with open Large Language Models (LLaMA 7B-65B). In addition to their evaluation in few-shot settings, we explore the potential of open Large Language Models (Vicuna-13B) as synthetic data generator and propose a new workflow for this purpose. All evaluated models exhibited substantial improvements when fine-tuned on synthetic abstracts rather than the original noisy data. We provide our best performing (f1-score=59.0) BioGPT-Large model for end-to-end RE of natural-products relationships along with all the generated synthetic data and the evaluation dataset. See more details at https://github.com/idiap/abroad-re.

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.

Awareness in Practice: Tensions in Access to Sensitive Attribute Data for Antidiscrimination

Organizations cannot address demographic disparities that they cannot see. Recent research on machine learning and fairness has emphasized that awareness of sensitive attributes, such as race and sex, is critical to the development of interventions. However, on the ground, the existence of these data cannot be taken for granted. This paper uses the domains of employment, credit, and healthcare in the United States to surface conditions that have shaped the availability of sensitive attribute data. For each domain, we describe how and when private companies collect or infer sensitive attribute data for antidiscrimination purposes. An inconsistent story emerges: Some companies are required by law to collect sensitive attribute data, while others are prohibited from doing so. Still others, in the absence of legal mandates, have determined that collection and imputation of these data are appropriate to address disparities. This story has important implications for fairness research and its future applications. If companies that mediate access to life opportunities are unable or hesitant to collect or infer sensitive attribute data, then proposed techniques to detect and mitigate bias in machine learning models might never be implemented outside the lab. We conclude that today's legal requirements and corporate practices, while highly inconsistent across domains, offer lessons for how to approach the collection and inference of sensitive data in appropriate circumstances. We urge stakeholders, including machine learning practitioners, to actively help chart a path forward that takes both policy goals and technical needs into account.

RidgeBase: A Cross-Sensor Multi-Finger Contactless Fingerprint Dataset

Contactless fingerprint matching using smartphone cameras can alleviate major challenges of traditional fingerprint systems including hygienic acquisition, portability and presentation attacks. However, development of practical and robust contactless fingerprint matching techniques is constrained by the limited availability of large scale real-world datasets. To motivate further advances in contactless fingerprint matching across sensors, we introduce the RidgeBase benchmark dataset. RidgeBase consists of more than 15,000 contactless and contact-based fingerprint image pairs acquired from 88 individuals under different background and lighting conditions using two smartphone cameras and one flatbed contact sensor. Unlike existing datasets, RidgeBase is designed to promote research under different matching scenarios that include Single Finger Matching and Multi-Finger Matching for both contactless- to-contactless (CL2CL) and contact-to-contactless (C2CL) verification and identification. Furthermore, due to the high intra-sample variance in contactless fingerprints belonging to the same finger, we propose a set-based matching protocol inspired by the advances in facial recognition datasets. This protocol is specifically designed for pragmatic contactless fingerprint matching that can account for variances in focus, polarity and finger-angles. We report qualitative and quantitative baseline results for different protocols using a COTS fingerprint matcher (Verifinger) and a Deep CNN based approach on the RidgeBase dataset. The dataset can be downloaded here: https://www.buffalo.edu/cubs/research/datasets/ridgebase-benchmark-dataset.html

Datasets for Large Language Models: A Comprehensive Survey

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

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.

Image-text matching for large-scale book collections

We address the problem of detecting and mapping all books in a collection of images to entries in a given book catalogue. Instead of performing independent retrieval for each book detected, we treat the image-text mapping problem as a many-to-many matching process, looking for the best overall match between the two sets. We combine a state-of-the-art segmentation method (SAM) to detect book spines and extract book information using a commercial OCR. We then propose a two-stage approach for text-image matching, where CLIP embeddings are used first for fast matching, followed by a second slower stage to refine the matching, employing either the Hungarian Algorithm or a BERT-based model trained to cope with noisy OCR input and partial text matches. To evaluate our approach, we publish a new dataset of annotated bookshelf images that covers the whole book collection of a public library in Spain. In addition, we provide two target lists of book metadata, a closed-set of 15k book titles that corresponds to the known library inventory, and an open-set of 2.3M book titles to simulate an open-world scenario. We report results on two settings, on one hand on a matching-only task, where the book segments and OCR is given and the objective is to perform many-to-many matching against the target lists, and a combined detection and matching task, where books must be first detected and recognised before they are matched to the target list entries. We show that both the Hungarian Matching and the proposed BERT-based model outperform a fuzzy string matching baseline, and we highlight inherent limitations of the matching algorithms as the target increases in size, and when either of the two sets (detected books or target book list) is incomplete. The dataset and code are available at https://github.com/llabres/library-dataset

M^{3}-20M: A Large-Scale Multi-Modal Molecule Dataset for AI-driven Drug Design and Discovery

This paper introduces M^{3}-20M, a large-scale Multi-Modal Molecular dataset that contains over 20 million molecules. Designed to support AI-driven drug design and discovery, M^{3}-20M is 71 times more in the number of molecules than the largest existing dataset, providing an unprecedented scale that can highly benefit training or fine-tuning large (language) models with superior performance for drug design and discovery. This dataset integrates one-dimensional SMILES, two-dimensional molecular graphs, three-dimensional molecular structures, physicochemical properties, and textual descriptions collected through web crawling and generated by using GPT-3.5, offering a comprehensive view of each molecule. To demonstrate the power of M^{3}-20M in drug design and discovery, we conduct extensive experiments on two key tasks: molecule generation and molecular property prediction, using large language models including GLM4, GPT-3.5, and GPT-4. Our experimental results show that M^{3}-20M can significantly boost model performance in both tasks. Specifically, it enables the models to generate more diverse and valid molecular structures and achieve higher property prediction accuracy than the existing single-modal datasets, which validates the value and potential of M^{3}-20M in supporting AI-driven drug design and discovery. The dataset is available at https://github.com/bz99bz/M-3.

Introducing Three New Benchmark Datasets for Hierarchical Text Classification

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

Data Cards: Purposeful and Transparent Dataset Documentation for Responsible AI

As research and industry moves towards large-scale models capable of numerous downstream tasks, the complexity of understanding multi-modal datasets that give nuance to models rapidly increases. A clear and thorough understanding of a dataset's origins, development, intent, ethical considerations and evolution becomes a necessary step for the responsible and informed deployment of models, especially those in people-facing contexts and high-risk domains. However, the burden of this understanding often falls on the intelligibility, conciseness, and comprehensiveness of the documentation. It requires consistency and comparability across the documentation of all datasets involved, and as such documentation must be treated as a user-centric product in and of itself. In this paper, we propose Data Cards for fostering transparent, purposeful and human-centered documentation of datasets within the practical contexts of industry and research. Data Cards are structured summaries of essential facts about various aspects of ML datasets needed by stakeholders across a dataset's lifecycle for responsible AI development. These summaries provide explanations of processes and rationales that shape the data and consequently the models, such as upstream sources, data collection and annotation methods; training and evaluation methods, intended use; or decisions affecting model performance. We also present frameworks that ground Data Cards in real-world utility and human-centricity. Using two case studies, we report on desirable characteristics that support adoption across domains, organizational structures, and audience groups. Finally, we present lessons learned from deploying over 20 Data Cards.

Navigating Dataset Documentations in AI: A Large-Scale Analysis of Dataset Cards on Hugging Face

Advances in machine learning are closely tied to the creation of datasets. While data documentation is widely recognized as essential to the reliability, reproducibility, and transparency of ML, we lack a systematic empirical understanding of current dataset documentation practices. To shed light on this question, here we take Hugging Face -- one of the largest platforms for sharing and collaborating on ML models and datasets -- as a prominent case study. By analyzing all 7,433 dataset documentation on Hugging Face, our investigation provides an overview of the Hugging Face dataset ecosystem and insights into dataset documentation practices, yielding 5 main findings: (1) The dataset card completion rate shows marked heterogeneity correlated with dataset popularity. (2) A granular examination of each section within the dataset card reveals that the practitioners seem to prioritize Dataset Description and Dataset Structure sections, while the Considerations for Using the Data section receives the lowest proportion of content. (3) By analyzing the subsections within each section and utilizing topic modeling to identify key topics, we uncover what is discussed in each section, and underscore significant themes encompassing both technical and social impacts, as well as limitations within the Considerations for Using the Data section. (4) Our findings also highlight the need for improved accessibility and reproducibility of datasets in the Usage sections. (5) In addition, our human annotation evaluation emphasizes the pivotal role of comprehensive dataset content in shaping individuals' perceptions of a dataset card's overall quality. Overall, our study offers a unique perspective on analyzing dataset documentation through large-scale data science analysis and underlines the need for more thorough dataset documentation in machine learning research.

SIG: A Synthetic Identity Generation Pipeline for Generating Evaluation Datasets for Face Recognition

As Artificial Intelligence applications expand, the evaluation of models faces heightened scrutiny. Ensuring public readiness requires evaluation datasets, which differ from training data by being disjoint and ethically sourced in compliance with privacy regulations. The performance and fairness of face recognition systems depend significantly on the quality and representativeness of these evaluation datasets. This data is sometimes scraped from the internet without user's consent, causing ethical concerns that can prohibit its use without proper releases. In rare cases, data is collected in a controlled environment with consent, however, this process is time-consuming, expensive, and logistically difficult to execute. This creates a barrier for those unable to conjure the immense resources required to gather ethically sourced evaluation datasets. To address these challenges, we introduce the Synthetic Identity Generation pipeline, or SIG, that allows for the targeted creation of ethical, balanced datasets for face recognition evaluation. Our proposed and demonstrated pipeline generates high-quality images of synthetic identities with controllable pose, facial features, and demographic attributes, such as race, gender, and age. We also release an open-source evaluation dataset named ControlFace10k, consisting of 10,008 face images of 3,336 unique synthetic identities balanced across race, gender, and age, generated using the proposed SIG pipeline. We analyze ControlFace10k along with a non-synthetic BUPT dataset using state-of-the-art face recognition algorithms to demonstrate its effectiveness as an evaluation tool. This analysis highlights the dataset's characteristics and its utility in assessing algorithmic bias across different demographic groups.

An inorganic ABX3 perovskite materials dataset for target property prediction and classification using machine learning

The reliability with Machine Learning (ML) techniques in novel materials discovery often depend on the quality of the dataset, in addition to the relevant features used in describing the material. In this regard, the current study presents and validates a newly processed materials dataset that can be utilized for benchmark ML analysis, as it relates to the prediction and classification of deterministic target properties. Originally, the dataset was extracted from the Open Quantum Materials Database (OQMD) and contains a robust 16,323 samples of ABX3 inorganic perovskite structures. The dataset is tabular in form and is preprocessed to include sixty-one generalized input features that broadly describes the physicochemical, stability/geometrical, and Density Functional Theory (DFT) target properties associated with the elemental ionic sites in a three-dimensional ABX3 polyhedral. For validation, four different ML models are employed to predict three distinctive target properties, namely: formation energy, energy band gap, and crystal system. On experimentation, the best accuracy measurements are reported at 0.013 eV/atom MAE, 0.216 eV MAE, and 85% F1, corresponding to the formation energy prediction, band gap prediction and crystal system multi-classification, respectively. Moreover, the realized results are compared with previous literature and as such, affirms the resourcefulness of the current dataset for future benchmark materials analysis via ML techniques. The preprocessed dataset and source codes are openly available to download from github.com/chenebuah/ML_abx3_dataset.

CRASAR-U-DROIDs: A Large Scale Benchmark Dataset for Building Alignment and Damage Assessment in Georectified sUAS Imagery

This document presents the Center for Robot Assisted Search And Rescue - Uncrewed Aerial Systems - Disaster Response Overhead Inspection Dataset (CRASAR-U-DROIDs) for building damage assessment and spatial alignment collected from small uncrewed aerial systems (sUAS) geospatial imagery. This dataset is motivated by the increasing use of sUAS in disaster response and the lack of previous work in utilizing high-resolution geospatial sUAS imagery for machine learning and computer vision models, the lack of alignment with operational use cases, and with hopes of enabling further investigations between sUAS and satellite imagery. The CRASAR-U-DRIODs dataset consists of fifty-two (52) orthomosaics from ten (10) federally declared disasters (Hurricane Ian, Hurricane Ida, Hurricane Harvey, Hurricane Idalia, Hurricane Laura, Hurricane Michael, Musset Bayou Fire, Mayfield Tornado, Kilauea Eruption, and Champlain Towers Collapse) spanning 67.98 square kilometers (26.245 square miles), containing 21,716 building polygons and damage labels, and 7,880 adjustment annotations. The imagery was tiled and presented in conjunction with overlaid building polygons to a pool of 130 annotators who provided human judgments of damage according to the Joint Damage Scale. These annotations were then reviewed via a two-stage review process in which building polygon damage labels were first reviewed individually and then again by committee. Additionally, the building polygons have been aligned spatially to precisely overlap with the imagery to enable more performant machine learning models to be trained. It appears that CRASAR-U-DRIODs is the largest labeled dataset of sUAS orthomosaic imagery.

CaseSumm: A Large-Scale Dataset for Long-Context Summarization from U.S. Supreme Court Opinions

This paper introduces CaseSumm, a novel dataset for long-context summarization in the legal domain that addresses the need for longer and more complex datasets for summarization evaluation. We collect 25.6K U.S. Supreme Court (SCOTUS) opinions and their official summaries, known as "syllabuses." Our dataset is the largest open legal case summarization dataset, and is the first to include summaries of SCOTUS decisions dating back to 1815. We also present a comprehensive evaluation of LLM-generated summaries using both automatic metrics and expert human evaluation, revealing discrepancies between these assessment methods. Our evaluation shows Mistral 7b, a smaller open-source model, outperforms larger models on most automatic metrics and successfully generates syllabus-like summaries. In contrast, human expert annotators indicate that Mistral summaries contain hallucinations. The annotators consistently rank GPT-4 summaries as clearer and exhibiting greater sensitivity and specificity. Further, we find that LLM-based evaluations are not more correlated with human evaluations than traditional automatic metrics. Furthermore, our analysis identifies specific hallucinations in generated summaries, including precedent citation errors and misrepresentations of case facts. These findings demonstrate the limitations of current automatic evaluation methods for legal summarization and highlight the critical role of human evaluation in assessing summary quality, particularly in complex, high-stakes domains. CaseSumm is available at https://huggingface.co/datasets/ChicagoHAI/CaseSumm

Benchmarking pre-trained text embedding models in aligning built asset information

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

SciKnowEval: Evaluating Multi-level Scientific Knowledge of Large Language Models

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

BigDocs: An Open and Permissively-Licensed Dataset for Training Multimodal Models on Document and Code Tasks

Multimodal AI has the potential to significantly enhance document-understanding tasks, such as processing receipts, understanding workflows, extracting data from documents, and summarizing reports. Code generation tasks that require long-structured outputs can also be enhanced by multimodality. Despite this, their use in commercial applications is often limited due to limited access to training data and restrictive licensing, which hinders open access. To address these limitations, we introduce BigDocs-7.5M, a high-quality, open-access dataset comprising 7.5 million multimodal documents across 30 tasks. We use an efficient data curation process to ensure our data is high-quality and license-permissive. Our process emphasizes accountability, responsibility, and transparency through filtering rules, traceable metadata, and careful content analysis. Additionally, we introduce BigDocs-Bench, a benchmark suite with 10 novel tasks where we create datasets that reflect real-world use cases involving reasoning over Graphical User Interfaces (GUI) and code generation from images. Our experiments show that training with BigDocs-Bench improves average performance up to 25.8% over closed-source GPT-4o in document reasoning and structured output tasks such as Screenshot2HTML or Image2Latex generation. Finally, human evaluations showed a preference for outputs from models trained on BigDocs over GPT-4o. This suggests that BigDocs can help both academics and the open-source community utilize and improve AI tools to enhance multimodal capabilities and document reasoning. The project is hosted at https://bigdocs.github.io .

SWE-Fixer: Training Open-Source LLMs for Effective and Efficient GitHub Issue Resolution

Large Language Models (LLMs) have demonstrated remarkable proficiency across a variety of complex tasks. One significant application of LLMs is in tackling software engineering challenges, particularly in resolving real-world tasks on GitHub by fixing code based on the issues reported by the users. However, many current approaches rely on proprietary LLMs, which limits reproducibility, accessibility, and transparency. The critical components of LLMs for addressing software engineering issues and how their capabilities can be effectively enhanced remain unclear. To address these challenges, we introduce SWE-Fixer, a novel open-source LLM designed to effectively and efficiently resolve GitHub issues. SWE-Fixer comprises two essential modules: a code file retrieval module and a code editing module. The retrieval module employs BM25 along with a lightweight LLM model to achieve coarse-to-fine file retrieval. Subsequently, the code editing module utilizes the other LLM model to generate patches for the identified files. Then, to mitigate the lack of publicly available datasets, we compile an extensive dataset that includes 110K GitHub issues along with their corresponding patches, and train the two modules of SWE-Fixer separately. We assess our approach on the SWE-Bench Lite and Verified benchmarks, achieving state-of-the-art performance among open-source models with scores of 23.3% and 30.2%, respectively. These outcomes highlight the efficacy of our approach. We will make our model, dataset, and code publicly available at https://github.com/InternLM/SWE-Fixer.

ChroniclingAmericaQA: A Large-scale Question Answering Dataset based on Historical American Newspaper Pages

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

Evidence Inference 2.0: More Data, Better Models

How do we most effectively treat a disease or condition? Ideally, we could consult a database of evidence gleaned from clinical trials to answer such questions. Unfortunately, no such database exists; clinical trial results are instead disseminated primarily via lengthy natural language articles. Perusing all such articles would be prohibitively time-consuming for healthcare practitioners; they instead tend to depend on manually compiled systematic reviews of medical literature to inform care. NLP may speed this process up, and eventually facilitate immediate consult of published evidence. The Evidence Inference dataset was recently released to facilitate research toward this end. This task entails inferring the comparative performance of two treatments, with respect to a given outcome, from a particular article (describing a clinical trial) and identifying supporting evidence. For instance: Does this article report that chemotherapy performed better than surgery for five-year survival rates of operable cancers? In this paper, we collect additional annotations to expand the Evidence Inference dataset by 25\%, provide stronger baseline models, systematically inspect the errors that these make, and probe dataset quality. We also release an abstract only (as opposed to full-texts) version of the task for rapid model prototyping. The updated corpus, documentation, and code for new baselines and evaluations are available at http://evidence-inference.ebm-nlp.com/.

Fast and Accurate Zero-Training Classification for Tabular Engineering Data

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

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.

Aligning benchmark datasets for table structure recognition

Benchmark datasets for table structure recognition (TSR) must be carefully processed to ensure they are annotated consistently. However, even if a dataset's annotations are self-consistent, there may be significant inconsistency across datasets, which can harm the performance of models trained and evaluated on them. In this work, we show that aligning these benchmarksx2014removing both errors and inconsistency between themx2014improves model performance significantly. We demonstrate this through a data-centric approach where we adopt a single model architecture, the Table Transformer (TATR), that we hold fixed throughout. Baseline exact match accuracy for TATR evaluated on the ICDAR-2013 benchmark is 65% when trained on PubTables-1M, 42% when trained on FinTabNet, and 69% combined. After reducing annotation mistakes and inter-dataset inconsistency, performance of TATR evaluated on ICDAR-2013 increases substantially to 75% when trained on PubTables-1M, 65% when trained on FinTabNet, and 81% combined. We show through ablations over the modification steps that canonicalization of the table annotations has a significantly positive effect on performance, while other choices balance necessary trade-offs that arise when deciding a benchmark dataset's final composition. Overall we believe our work has significant implications for benchmark design for TSR and potentially other tasks as well. All dataset processing and training code will be released.

The Newspaper Navigator Dataset: Extracting And Analyzing Visual Content from 16 Million Historic Newspaper Pages in Chronicling America

Chronicling America is a product of the National Digital Newspaper Program, a partnership between the Library of Congress and the National Endowment for the Humanities to digitize historic newspapers. Over 16 million pages of historic American newspapers have been digitized for Chronicling America to date, complete with high-resolution images and machine-readable METS/ALTO OCR. Of considerable interest to Chronicling America users is a semantified corpus, complete with extracted visual content and headlines. To accomplish this, we introduce a visual content recognition model trained on bounding box annotations of photographs, illustrations, maps, comics, and editorial cartoons collected as part of the Library of Congress's Beyond Words crowdsourcing initiative and augmented with additional annotations including those of headlines and advertisements. We describe our pipeline that utilizes this deep learning model to extract 7 classes of visual content: headlines, photographs, illustrations, maps, comics, editorial cartoons, and advertisements, complete with textual content such as captions derived from the METS/ALTO OCR, as well as image embeddings for fast image similarity querying. We report the results of running the pipeline on 16.3 million pages from the Chronicling America corpus and describe the resulting Newspaper Navigator dataset, the largest dataset of extracted visual content from historic newspapers ever produced. The Newspaper Navigator dataset, finetuned visual content recognition model, and all source code are placed in the public domain for unrestricted re-use.

ISLES 2024: The first longitudinal multimodal multi-center real-world dataset in (sub-)acute stroke

Stroke remains a leading cause of global morbidity and mortality, placing a heavy socioeconomic burden. Over the past decade, advances in endovascular reperfusion therapy and the use of CT and MRI imaging for treatment guidance have significantly improved patient outcomes and are now standard in clinical practice. To develop machine learning algorithms that can extract meaningful and reproducible models of brain function for both clinical and research purposes from stroke images - particularly for lesion identification, brain health quantification, and prognosis - large, diverse, and well-annotated public datasets are essential. While only a few datasets with (sub-)acute stroke data were previously available, several large, high-quality datasets have recently been made publicly accessible. However, these existing datasets include only MRI data. In contrast, our dataset is the first to offer comprehensive longitudinal stroke data, including acute CT imaging with angiography and perfusion, follow-up MRI at 2-9 days, as well as acute and longitudinal clinical data up to a three-month outcome. The dataset includes a training dataset of n = 150 and a test dataset of n = 100 scans. Training data is publicly available, while test data will be used exclusively for model validation. We are making this dataset available as part of the 2024 edition of the Ischemic Stroke Lesion Segmentation (ISLES) challenge (https://www.isles-challenge.org/), which continuously aims to establish benchmark methods for acute and sub-acute ischemic stroke lesion segmentation, aiding in creating open stroke imaging datasets and evaluating cutting-edge image processing algorithms.