Daily Papers

Deep clustering, which learns representation and semantic clustering without labels information, poses a great challenge for deep learning-based approaches. Despite significant progress in recent years, most existing methods focus on uniformly distributed datasets, significantly limiting the practical applicability of their methods. In this paper, we propose a more practical problem setting named deep imbalanced clustering, where the underlying classes exhibit an imbalance distribution. To address this challenge, we introduce a novel optimal transport-based pseudo-label learning framework. Our framework formulates pseudo-label generation as a Semantic-regularized Progressive Partial Optimal Transport (SP^2OT) problem, which progressively transports each sample to imbalanced clusters under several prior distribution and semantic relation constraints, thus generating high-quality and imbalance-aware pseudo-labels. To solve SP^2OT, we develop a Majorization-Minimization-based optimization algorithm. To be more precise, we employ the strategy of majorization to reformulate the SP^2OT problem into a Progressive Partial Optimal Transport problem, which can be transformed into an unbalanced optimal transport problem with augmented constraints and can be solved efficiently by a fast matrix scaling algorithm. Experiments on various datasets, including a human-curated long-tailed CIFAR100, challenging ImageNet-R, and large-scale subsets of fine-grained iNaturalist2018 datasets, demonstrate the superiority of our method.

Deep clustering, which learns representation and semantic clustering without labels information, poses a great challenge for deep learning-based approaches. Despite significant progress in recent years, most existing methods focus on uniformly distributed datasets, significantly limiting the practical applicability of their methods. In this paper, we first introduce a more practical problem setting named deep imbalanced clustering, where the underlying classes exhibit an imbalance distribution. To tackle this problem, we propose a novel pseudo-labeling-based learning framework. Our framework formulates pseudo-label generation as a progressive partial optimal transport problem, which progressively transports each sample to imbalanced clusters under prior distribution constraints, thus generating imbalance-aware pseudo-labels and learning from high-confident samples. In addition, we transform the initial formulation into an unbalanced optimal transport problem with augmented constraints, which can be solved efficiently by a fast matrix scaling algorithm. Experiments on various datasets, including a human-curated long-tailed CIFAR100, challenging ImageNet-R, and large-scale subsets of fine-grained iNaturalist2018 datasets, demonstrate the superiority of our method.

This document provides a brief description of the National Institute of Standards and Technology (NIST) speaker recognition evaluation (SRE) conversational telephone speech (CTS) Superset. The CTS Superset has been created in an attempt to provide the research community with a large-scale dataset along with uniform metadata that can be used to effectively train and develop telephony (narrowband) speaker recognition systems. It contains a large number of telephony speech segments from more than 6800 speakers with speech durations distributed uniformly in the [10s, 60s] range. The segments have been extracted from the source corpora used to compile prior SRE datasets (SRE1996-2012), including the Greybeard corpus as well as the Switchboard and Mixer series collected by the Linguistic Data Consortium (LDC). In addition to the brief description, we also report speaker recognition results on the NIST 2020 CTS Speaker Recognition Challenge, obtained using a system trained with the CTS Superset. The results will serve as a reference baseline for the challenge.

Self-supervised features are the cornerstone of modern machine learning systems. They are typically pre-trained on data collections whose construction and curation typically require extensive human effort. This manual process has some limitations similar to those encountered in supervised learning, e.g., the crowd-sourced selection of data is costly and time-consuming, preventing scaling the dataset size. In this work, we consider the problem of automatic curation of high-quality datasets for self-supervised pre-training. We posit that such datasets should be large, diverse and balanced, and propose a clustering-based approach for building ones satisfying all these criteria. Our method involves successive and hierarchical applications of k-means on a large and diverse data repository to obtain clusters that distribute uniformly among data concepts, followed by a hierarchical, balanced sampling step from these clusters. Extensive experiments on three different data domains including web-based images, satellite images and text show that features trained on our automatically curated datasets outperform those trained on uncurated data while being on par or better than ones trained on manually curated data.

In domains ranging from computer vision to natural language processing, machine learning models have been shown to exhibit stark disparities, often performing worse for members of traditionally underserved groups. One factor contributing to these performance gaps is a lack of representation in the data the models are trained on. It is often unclear, however, how to operationalize representativeness in specific applications. Here we formalize the problem of creating equitable training datasets, and propose a statistical framework for addressing this problem. We consider a setting where a model builder must decide how to allocate a fixed data collection budget to gather training data from different subgroups. We then frame dataset creation as a constrained optimization problem, in which one maximizes a function of group-specific performance metrics based on (estimated) group-specific learning rates and costs per sample. This flexible approach incorporates preferences of model-builders and other stakeholders, as well as the statistical properties of the learning task. When data collection decisions are made sequentially, we show that under certain conditions this optimization problem can be efficiently solved even without prior knowledge of the learning rates. To illustrate our approach, we conduct a simulation study of polygenic risk scores on synthetic genomic data -- an application domain that often suffers from non-representative data collection. We find that our adaptive sampling strategy outperforms several common data collection heuristics, including equal and proportional sampling, demonstrating the value of strategic dataset design for building equitable models.

In representation learning, uniformity refers to the uniform feature distribution in the latent space (i.e., unit hypersphere). Previous work has shown that improving uniformity contributes to the learning of under-represented classes. However, most of the previous work focused on classification; the representation space of imbalanced regression remains unexplored. Classification-based methods are not suitable for regression tasks because they cluster features into distinct groups without considering the continuous and ordered nature essential for regression. In a geometric aspect, we uniquely focus on ensuring uniformity in the latent space for imbalanced regression through two key losses: enveloping and homogeneity. The enveloping loss encourages the induced trace to uniformly occupy the surface of a hypersphere, while the homogeneity loss ensures smoothness, with representations evenly spaced at consistent intervals. Our method integrates these geometric principles into the data representations via a Surrogate-driven Representation Learning (SRL) framework. Experiments with real-world regression and operator learning tasks highlight the importance of uniformity in imbalanced regression and validate the efficacy of our geometry-based loss functions.

Machine learning is now used in many applications thanks to its ability to predict, generate, or discover patterns from large quantities of data. However, the process of collecting and transforming data for practical use is intricate. Even in today's digital era, where substantial data is generated daily, it is uncommon for it to be readily usable; most often, it necessitates meticulous manual data preparation. The haste in developing new models can frequently result in various shortcomings, potentially posing risks when deployed in real-world scenarios (eg social discrimination, critical failures), leading to the failure or substantial escalation of costs in AI-based projects. This chapter provides a comprehensive overview of established methodological tools, enriched by our practical experience, in the development of datasets for machine learning. Initially, we develop the tasks involved in dataset development and offer insights into their effective management (including requirements, design, implementation, evaluation, distribution, and maintenance). Then, we provide more details about the implementation process which includes data collection, transformation, and quality evaluation. Finally, we address practical considerations regarding dataset distribution and maintenance.

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 .

Modern machine learning relies on datasets to develop and validate research ideas. Given the growth of publicly available data, finding the right dataset to use is increasingly difficult. Any research question imposes explicit and implicit constraints on how well a given dataset will enable researchers to answer this question, such as dataset size, modality, and domain. We operationalize the task of recommending datasets given a short natural language description of a research idea, to help people find relevant datasets for their needs. Dataset recommendation poses unique challenges as an information retrieval problem; datasets are hard to directly index for search and there are no corpora readily available for this task. To facilitate this task, we build the DataFinder Dataset which consists of a larger automatically-constructed training set (17.5K queries) and a smaller expert-annotated evaluation set (392 queries). Using this data, we compare various information retrieval algorithms on our test set and present a superior bi-encoder retriever for text-based dataset recommendation. This system, trained on the DataFinder Dataset, finds more relevant search results than existing third-party dataset search engines. To encourage progress on dataset recommendation, we release our dataset and models to the public.

A central problem in machine learning involves modeling complex data-sets using highly flexible families of probability distributions in which learning, sampling, inference, and evaluation are still analytically or computationally tractable. Here, we develop an approach that simultaneously achieves both flexibility and tractability. The essential idea, inspired by non-equilibrium statistical physics, is to systematically and slowly destroy structure in a data distribution through an iterative forward diffusion process. We then learn a reverse diffusion process that restores structure in data, yielding a highly flexible and tractable generative model of the data. This approach allows us to rapidly learn, sample from, and evaluate probabilities in deep generative models with thousands of layers or time steps, as well as to compute conditional and posterior probabilities under the learned model. We additionally release an open source reference implementation of the algorithm.

The striking fractal geometry of strange attractors underscores the generative nature of chaos: like probability distributions, chaotic systems can be repeatedly measured to produce arbitrarily-detailed information about the underlying attractor. Chaotic systems thus pose a unique challenge to modern statistical learning techniques, while retaining quantifiable mathematical properties that make them controllable and interpretable as benchmarks. Here, we present a growing database currently comprising 131 known chaotic dynamical systems spanning fields such as astrophysics, climatology, and biochemistry. Each system is paired with precomputed multivariate and univariate time series. Our dataset has comparable scale to existing static time series databases; however, our systems can be re-integrated to produce additional datasets of arbitrary length and granularity. Our dataset is annotated with known mathematical properties of each system, and we perform feature analysis to broadly categorize the diverse dynamics present across the collection. Chaotic systems inherently challenge forecasting models, and across extensive benchmarks we correlate forecasting performance with the degree of chaos present. We also exploit the unique generative properties of our dataset in several proof-of-concept experiments: surrogate transfer learning to improve time series classification, importance sampling to accelerate model training, and benchmarking symbolic regression algorithms.

In this paper, we present MusPy, an open source Python library for symbolic music generation. MusPy provides easy-to-use tools for essential components in a music generation system, including dataset management, data I/O, data preprocessing and model evaluation. In order to showcase its potential, we present statistical analysis of the eleven datasets currently supported by MusPy. Moreover, we conduct a cross-dataset generalizability experiment by training an autoregressive model on each dataset and measuring held-out likelihood on the others---a process which is made easier by MusPy's dataset management system. The results provide a map of domain overlap between various commonly used datasets and show that some datasets contain more representative cross-genre samples than others. Along with the dataset analysis, these results might serve as a guide for choosing datasets in future research. Source code and documentation are available at https://github.com/salu133445/muspy .

Dataset distillation aims to synthesize small datasets with little information loss from original large-scale ones for reducing storage and training costs. Recent state-of-the-art methods mainly constrain the sample synthesis process by matching synthetic images and the original ones regarding gradients, embedding distributions, or training trajectories. Although there are various matching objectives, currently the strategy for selecting original images is limited to naive random sampling. We argue that random sampling overlooks the evenness of the selected sample distribution, which may result in noisy or biased matching targets. Besides, the sample diversity is also not constrained by random sampling. These factors together lead to optimization instability in the distilling process and degrade the training efficiency. Accordingly, we propose a novel matching strategy named as Dataset distillation by REpresentAtive Matching (DREAM), where only representative original images are selected for matching. DREAM is able to be easily plugged into popular dataset distillation frameworks and reduce the distilling iterations by more than 8 times without performance drop. Given sufficient training time, DREAM further provides significant improvements and achieves state-of-the-art performances.

We introduce a boosting algorithm to pre-process data for fairness. Starting from an initial fair but inaccurate distribution, our approach shifts towards better data fitting while still ensuring a minimal fairness guarantee. To do so, it learns the sufficient statistics of an exponential family with boosting-compliant convergence. Importantly, we are able to theoretically prove that the learned distribution will have a representation rate and statistical rate data fairness guarantee. Unlike recent optimization based pre-processing methods, our approach can be easily adapted for continuous domain features. Furthermore, when the weak learners are specified to be decision trees, the sufficient statistics of the learned distribution can be examined to provide clues on sources of (un)fairness. Empirical results are present to display the quality of result on real-world data.

No free lunch theorems for supervised learning state that no learner can solve all problems or that all learners achieve exactly the same accuracy on average over a uniform distribution on learning problems. Accordingly, these theorems are often referenced in support of the notion that individual problems require specially tailored inductive biases. While virtually all uniformly sampled datasets have high complexity, real-world problems disproportionately generate low-complexity data, and we argue that neural network models share this same preference, formalized using Kolmogorov complexity. Notably, we show that architectures designed for a particular domain, such as computer vision, can compress datasets on a variety of seemingly unrelated domains. Our experiments show that pre-trained and even randomly initialized language models prefer to generate low-complexity sequences. Whereas no free lunch theorems seemingly indicate that individual problems require specialized learners, we explain how tasks that often require human intervention such as picking an appropriately sized model when labeled data is scarce or plentiful can be automated into a single learning algorithm. These observations justify the trend in deep learning of unifying seemingly disparate problems with an increasingly small set of machine learning models.

Distribution shifts are a major source of failure of deployed machine learning models. However, evaluating a model's reliability under distribution shifts can be challenging, especially since it may be difficult to acquire counterfactual examples that exhibit a specified shift. In this work, we introduce dataset interfaces: a framework which allows users to scalably synthesize such counterfactual examples from a given dataset. Specifically, we represent each class from the input dataset as a custom token within the text space of a text-to-image diffusion model. By incorporating these tokens into natural language prompts, we can then generate instantiations of objects in that dataset under desired distribution shifts. We demonstrate how applying our framework to the ImageNet dataset enables us to study model behavior across a diverse array of shifts, including variations in background, lighting, and attributes of the objects themselves. Code available at https://github.com/MadryLab/dataset-interfaces.

Collections of probability distributions arise in a variety of applications ranging from user activity pattern analysis to brain connectomics. In practice these distributions can be defined over diverse domain types including finite intervals, circles, cylinders, spheres, other manifolds, and graphs. This paper introduces an approach for detecting differences between two collections of distributions over such general domains. To this end, we propose the intrinsic slicing construction that yields a novel class of Wasserstein distances on manifolds and graphs. These distances are Hilbert embeddable, allowing us to reduce the distribution collection comparison problem to a more familiar mean testing problem in a Hilbert space. We provide two testing procedures one based on resampling and another on combining p-values from coordinate-wise tests. Our experiments in various synthetic and real data settings show that the resulting tests are powerful and the p-values are well-calibrated.

Understanding how machine learning models respond to distributional shifts is a key research challenge. Mazes serve as an excellent testbed due to varied generation algorithms offering a nuanced platform to simulate both subtle and pronounced distributional shifts. To enable systematic investigations of model behavior on out-of-distribution data, we present maze-dataset, a comprehensive library for generating, processing, and visualizing datasets consisting of maze-solving tasks. With this library, researchers can easily create datasets, having extensive control over the generation algorithm used, the parameters fed to the algorithm of choice, and the filters that generated mazes must satisfy. Furthermore, it supports multiple output formats, including rasterized and text-based, catering to convolutional neural networks and autoregressive transformer models. These formats, along with tools for visualizing and converting between them, ensure versatility and adaptability in research applications.

The quality of generative models depends on the quality of the data they are trained on. Creating large-scale, high-quality datasets is often expensive and sometimes impossible, e.g. in certain scientific applications where there is no access to clean data due to physical or instrumentation constraints. Ambient Diffusion and related frameworks train diffusion models with solely corrupted data (which are usually cheaper to acquire) but ambient models significantly underperform models trained on clean data. We study this phenomenon at scale by training more than 80 models on data with different corruption levels across three datasets ranging from 30,000 to approx 1.3M samples. We show that it is impossible, at these sample sizes, to match the performance of models trained on clean data when only training on noisy data. Yet, a combination of a small set of clean data (e.g.~10% of the total dataset) and a large set of highly noisy data suffices to reach the performance of models trained solely on similar-size datasets of clean data, and in particular to achieve near state-of-the-art performance. We provide theoretical evidence for our findings by developing novel sample complexity bounds for learning from Gaussian Mixtures with heterogeneous variances. Our theoretical model suggests that, for large enough datasets, the effective marginal utility of a noisy sample is exponentially worse than that of a clean sample. Providing a small set of clean samples can significantly reduce the sample size requirements for noisy data, as we also observe in our experiments.

Distribution shifts -- where the training distribution differs from the test distribution -- can substantially degrade the accuracy of machine learning (ML) systems deployed in the wild. Despite their ubiquity in the real-world deployments, these distribution shifts are under-represented in the datasets widely used in the ML community today. To address this gap, we present WILDS, a curated benchmark of 10 datasets reflecting a diverse range of distribution shifts that naturally arise in real-world applications, such as shifts across hospitals for tumor identification; across camera traps for wildlife monitoring; and across time and location in satellite imaging and poverty mapping. On each dataset, we show that standard training yields substantially lower out-of-distribution than in-distribution performance. This gap remains even with models trained by existing methods for tackling distribution shifts, underscoring the need for new methods for training models that are more robust to the types of distribution shifts that arise in practice. To facilitate method development, we provide an open-source package that automates dataset loading, contains default model architectures and hyperparameters, and standardizes evaluations. Code and leaderboards are available at https://wilds.stanford.edu.

The sharp increase in data-related expenses has motivated research into condensing datasets while retaining the most informative features. Dataset distillation has thus recently come to the fore. This paradigm generates synthetic datasets that are representative enough to replace the original dataset in training a neural network. To avoid redundancy in these synthetic datasets, it is crucial that each element contains unique features and remains diverse from others during the synthesis stage. In this paper, we provide a thorough theoretical and empirical analysis of diversity within synthesized datasets. We argue that enhancing diversity can improve the parallelizable yet isolated synthesizing approach. Specifically, we introduce a novel method that employs dynamic and directed weight adjustment techniques to modulate the synthesis process, thereby maximizing the representativeness and diversity of each synthetic instance. Our method ensures that each batch of synthetic data mirrors the characteristics of a large, varying subset of the original dataset. Extensive experiments across multiple datasets, including CIFAR, Tiny-ImageNet, and ImageNet-1K, demonstrate the superior performance of our method, highlighting its effectiveness in producing diverse and representative synthetic datasets with minimal computational expense. Our code is available at https://github.com/AngusDujw/Diversity-Driven-Synthesis.https://github.com/AngusDujw/Diversity-Driven-Synthesis.

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.

Web-crawled datasets have enabled remarkable generalization capabilities in recent image-text models such as CLIP (Contrastive Language-Image pre-training) or Flamingo, but little is known about the dataset creation processes. In this work, we introduce a testbed of six publicly available data sources - YFCC, LAION, Conceptual Captions, WIT, RedCaps, Shutterstock - to investigate how pre-training distributions induce robustness in CLIP. We find that the performance of the pre-training data varies substantially across distribution shifts, with no single data source dominating. Moreover, we systematically study the interactions between these data sources and find that combining multiple sources does not necessarily yield better models, but rather dilutes the robustness of the best individual data source. We complement our empirical findings with theoretical insights from a simple setting, where combining the training data also results in diluted robustness. In addition, our theoretical model provides a candidate explanation for the success of the CLIP-based data filtering technique recently employed in the LAION dataset. Overall our results demonstrate that simply gathering a large amount of data from the web is not the most effective way to build a pre-training dataset for robust generalization, necessitating further study into dataset design. Code is available at https://github.com/mlfoundations/clip_quality_not_quantity.

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

Modern machine learning research relies on relatively few carefully curated datasets. Even in these datasets, and typically in `untidy' or raw data, practitioners are faced with significant issues of data quality and diversity which can be prohibitively labor intensive to address. Existing methods for dealing with these challenges tend to make strong assumptions about the particular issues at play, and often require a priori knowledge or metadata such as domain labels. Our work is orthogonal to these methods: we instead focus on providing a unified and efficient framework for Metadata Archaeology -- uncovering and inferring metadata of examples in a dataset. We curate different subsets of data that might exist in a dataset (e.g. mislabeled, atypical, or out-of-distribution examples) using simple transformations, and leverage differences in learning dynamics between these probe suites to infer metadata of interest. Our method is on par with far more sophisticated mitigation methods across different tasks: identifying and correcting mislabeled examples, classifying minority-group samples, prioritizing points relevant for training and enabling scalable human auditing of relevant examples.

Real-world datasets follow an imbalanced distribution, which poses significant challenges in rare-category object detection. Recent studies tackle this problem by developing re-weighting and re-sampling methods, that utilise the class frequencies of the dataset. However, these techniques focus solely on the frequency statistics and ignore the distribution of the classes in image space, missing important information. In contrast to them, we propose FRActal CALibration (FRACAL): a novel post-calibration method for long-tailed object detection. FRACAL devises a logit adjustment method that utilises the fractal dimension to estimate how uniformly classes are distributed in image space. During inference, it uses the fractal dimension to inversely downweight the probabilities of uniformly spaced class predictions achieving balance in two axes: between frequent and rare categories, and between uniformly spaced and sparsely spaced classes. FRACAL is a post-processing method and it does not require any training, also it can be combined with many off-the-shelf models such as one-stage sigmoid detectors and two-stage instance segmentation models. FRACAL boosts the rare class performance by up to 8.6% and surpasses all previous methods on LVIS dataset, while showing good generalisation to other datasets such as COCO, V3Det and OpenImages. We provide the code at https://github.com/kostas1515/FRACAL.

We develop a method to generate predictive regions that cover a multivariate response variable with a user-specified probability. Our work is composed of two components. First, we use a deep generative model to learn a representation of the response that has a unimodal distribution. Existing multiple-output quantile regression approaches are effective in such cases, so we apply them on the learned representation, and then transform the solution to the original space of the response. This process results in a flexible and informative region that can have an arbitrary shape, a property that existing methods lack. Second, we propose an extension of conformal prediction to the multivariate response setting that modifies any method to return sets with a pre-specified coverage level. The desired coverage is theoretically guaranteed in the finite-sample case for any distribution. Experiments conducted on both real and synthetic data show that our method constructs regions that are significantly smaller compared to existing techniques.

The deep neural networks used in modern computer vision systems require enormous image datasets to train them. These carefully-curated datasets typically have a million or more images, across a thousand or more distinct categories. The process of creating and curating such a dataset is a monumental undertaking, demanding extensive effort and labelling expense and necessitating careful navigation of technical and social issues such as label accuracy, copyright ownership, and content bias. What if we had a way to harness the power of large image datasets but with few or none of the major issues and concerns currently faced? This paper extends the recent work of Kataoka et. al. (2020), proposing an improved pre-training dataset based on dynamically-generated fractal images. Challenging issues with large-scale image datasets become points of elegance for fractal pre-training: perfect label accuracy at zero cost; no need to store/transmit large image archives; no privacy/demographic bias/concerns of inappropriate content, as no humans are pictured; limitless supply and diversity of images; and the images are free/open-source. Perhaps surprisingly, avoiding these difficulties imposes only a small penalty in performance. Leveraging a newly-proposed pre-training task -- multi-instance prediction -- our experiments demonstrate that fine-tuning a network pre-trained using fractals attains 92.7-98.1% of the accuracy of an ImageNet pre-trained network.

This paper introduces the MERIT Dataset, a multimodal (text + image + layout) fully labeled dataset within the context of school reports. Comprising over 400 labels and 33k samples, the MERIT Dataset is a valuable resource for training models in demanding Visually-rich Document Understanding (VrDU) tasks. By its nature (student grade reports), the MERIT Dataset can potentially include biases in a controlled way, making it a valuable tool to benchmark biases induced in Language Models (LLMs). The paper outlines the dataset's generation pipeline and highlights its main features in the textual, visual, layout, and bias domains. To demonstrate the dataset's utility, we present a benchmark with token classification models, showing that the dataset poses a significant challenge even for SOTA models and that these would greatly benefit from including samples from the MERIT Dataset in their pretraining phase.

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.

In this study, we present a novel dataset for training machine learning models translating between OpenMP Fortran and C++ code. To ensure reliability and applicability, the dataset is created from a range of representative open-source OpenMP benchmarks. It is also refined using a meticulous code similarity test. The effectiveness of our dataset is assessed using both quantitative (CodeBLEU) and qualitative (human evaluation) methods. We showcase how this dataset significantly elevates the translation competencies of large language models (LLMs). Specifically, models without prior coding knowledge experienced a boost of times~5.1 in their CodeBLEU scores, while models with some coding familiarity saw an impressive times~9.9-fold increase. The best fine-tuned model using our dataset outperforms GPT-4. It is also reaching human-level accuracy. This work underscores the immense potential of our dataset in propelling advancements in the domain of code translation for high-performance computing. The dataset is accessible at https://github.com/bin123apple/Fortran-CPP-HPC-code-translation-dataset{OpenMP-Fortran-CPP-Translation}.

The distribution of subpopulations is an important property hidden within a dataset. Uncovering and analyzing the subpopulation distribution within datasets provides a comprehensive understanding of the datasets, standing as a powerful tool beneficial to various downstream tasks, including Dataset Subpopulation Organization, Subpopulation Shift, and Slice Discovery. Despite its importance, there has been no work that systematically explores the subpopulation distribution of datasets to our knowledge. To address the limitation and solve all the mentioned tasks in a unified way, we introduce a novel concept of subpopulation structures to represent, analyze, and utilize subpopulation distributions within datasets. To characterize the structures in an interpretable manner, we propose the Subpopulation Structure Discovery with Large Language Models (SSD-LLM) framework, which employs world knowledge and instruction-following capabilities of Large Language Models (LLMs) to linguistically analyze informative image captions and summarize the structures. Furthermore, we propose complete workflows to address downstream tasks, named Task-specific Tuning, showcasing the application of the discovered structure to a spectrum of subpopulation-related tasks, including dataset subpopulation organization, subpopulation shift, and slice discovery. Furthermore, we propose complete workflows to address downstream tasks, named Task-specific Tuning, showcasing the application of the discovered structure to a spectrum of subpopulation-related tasks, including dataset subpopulation organization, subpopulation shift, and slice discovery.

Existing image classification datasets used in computer vision tend to have a uniform distribution of images across object categories. In contrast, the natural world is heavily imbalanced, as some species are more abundant and easier to photograph than others. To encourage further progress in challenging real world conditions we present the iNaturalist species classification and detection dataset, consisting of 859,000 images from over 5,000 different species of plants and animals. It features visually similar species, captured in a wide variety of situations, from all over the world. Images were collected with different camera types, have varying image quality, feature a large class imbalance, and have been verified by multiple citizen scientists. We discuss the collection of the dataset and present extensive baseline experiments using state-of-the-art computer vision classification and detection models. Results show that current non-ensemble based methods achieve only 67% top one classification accuracy, illustrating the difficulty of the dataset. Specifically, we observe poor results for classes with small numbers of training examples suggesting more attention is needed in low-shot learning.

Empirically validating new 3D-printing related algorithms and implementations requires testing data representative of inputs encountered in the wild. An ideal benchmarking dataset should not only draw from the same distribution of shapes people print in terms of class (e.g., toys, mechanisms, jewelry), representation type (e.g., triangle soup meshes) and complexity (e.g., number of facets), but should also capture problems and artifacts endemic to 3D printing models (e.g., self-intersections, non-manifoldness). We observe that the contextual and geometric characteristics of 3D printing models differ significantly from those used for computer graphics applications, not to mention standard models (e.g., Stanford bunny, Armadillo, Fertility). We present a new dataset of 10,000 models collected from an online 3D printing model-sharing database. Via analysis of both geometric (e.g., triangle aspect ratios, manifoldness) and contextual (e.g., licenses, tags, classes) characteristics, we demonstrate that this dataset represents a more concise summary of real-world models used for 3D printing compared to existing datasets. To facilitate future research endeavors, we also present an online query interface to select subsets of the dataset according to project-specific characteristics. The complete dataset and per-model statistical data are freely available to the public.

The scale, variety, and quantity of publicly-available NLP datasets has grown rapidly as researchers propose new tasks, larger models, and novel benchmarks. Datasets is a community library for contemporary NLP designed to support this ecosystem. Datasets aims to standardize end-user interfaces, versioning, and documentation, while providing a lightweight front-end that behaves similarly for small datasets as for internet-scale corpora. The design of the library incorporates a distributed, community-driven approach to adding datasets and documenting usage. After a year of development, the library now includes more than 650 unique datasets, has more than 250 contributors, and has helped support a variety of novel cross-dataset research projects and shared tasks. The library is available at https://github.com/huggingface/datasets.

In this paper, we introduce a conformal prediction method to construct prediction sets in a oneshot federated learning setting. More specifically, we define a quantile-of-quantiles estimator and prove that for any distribution, it is possible to output prediction sets with desired coverage in only one round of communication. To mitigate privacy issues, we also describe a locally differentially private version of our estimator. Finally, over a wide range of experiments, we show that our method returns prediction sets with coverage and length very similar to those obtained in a centralized setting. Overall, these results demonstrate that our method is particularly well-suited to perform conformal predictions in a one-shot federated learning setting.

We aim to select data subsets for the fine-tuning of large language models to more effectively follow instructions. Prior work has emphasized the importance of diversity in dataset curation but relied on heuristics such as the number of tasks. In this paper, we use determinantal point processes to capture the diversity and quality of instruction tuning datasets for subset selection. We propose to measure dataset diversity with log determinant distance that is the distance between the dataset of interest and a maximally diverse reference dataset. Our experiments demonstrate that the proposed diversity measure in the normalized weight gradient space is correlated with downstream instruction-following performance. Consequently, it can be used to inform when data selection is the most helpful and to analyze dataset curation strategies. We demonstrate the utility of our approach on various instruction tuning datasets.

Irregularly sampled time series data arise naturally in many application domains including biology, ecology, climate science, astronomy, and health. Such data represent fundamental challenges to many classical models from machine learning and statistics due to the presence of non-uniform intervals between observations. However, there has been significant progress within the machine learning community over the last decade on developing specialized models and architectures for learning from irregularly sampled univariate and multivariate time series data. In this survey, we first describe several axes along which approaches to learning from irregularly sampled time series differ including what data representations they are based on, what modeling primitives they leverage to deal with the fundamental problem of irregular sampling, and what inference tasks they are designed to perform. We then survey the recent literature organized primarily along the axis of modeling primitives. We describe approaches based on temporal discretization, interpolation, recurrence, attention and structural invariance. We discuss similarities and differences between approaches and highlight primary strengths and weaknesses.

In this paper, we find a sample complexity bound for learning a simplex from noisy samples. Assume a dataset of size n is given which includes i.i.d. samples drawn from a uniform distribution over an unknown simplex in R^K, where samples are assumed to be corrupted by a multi-variate additive Gaussian noise of an arbitrary magnitude. We prove the existence of an algorithm that with high probability outputs a simplex having a ell_2 distance of at most varepsilon from the true simplex (for any varepsilon>0). Also, we theoretically show that in order to achieve this bound, it is sufficient to have ngeleft(K^2/varepsilon^2right)e^{Omegaleft(K/SNR^2right)} samples, where SNR stands for the signal-to-noise ratio. This result solves an important open problem and shows as long as SNRgeOmegaleft(K^{1/2}right), the sample complexity of the noisy regime has the same order to that of the noiseless case. Our proofs are a combination of the so-called sample compression technique in ashtiani2018nearly, mathematical tools from high-dimensional geometry, and Fourier analysis. In particular, we have proposed a general Fourier-based technique for recovery of a more general class of distribution families from additive Gaussian noise, which can be further used in a variety of other related problems.

We study subsampling-based ridge ensembles in the proportional asymptotics regime, where the feature size grows proportionally with the sample size such that their ratio converges to a constant. By analyzing the squared prediction risk of ridge ensembles as a function of the explicit penalty lambda and the limiting subsample aspect ratio phi_s (the ratio of the feature size to the subsample size), we characterize contours in the (lambda, phi_s)-plane at any achievable risk. As a consequence, we prove that the risk of the optimal full ridgeless ensemble (fitted on all possible subsamples) matches that of the optimal ridge predictor. In addition, we prove strong uniform consistency of generalized cross-validation (GCV) over the subsample sizes for estimating the prediction risk of ridge ensembles. This allows for GCV-based tuning of full ridgeless ensembles without sample splitting and yields a predictor whose risk matches optimal ridge risk.

We explore the problem of generating minority samples using diffusion models. The minority samples are instances that lie on low-density regions of a data manifold. Generating a sufficient number of such minority instances is important, since they often contain some unique attributes of the data. However, the conventional generation process of the diffusion models mostly yields majority samples (that lie on high-density regions of the manifold) due to their high likelihoods, making themselves ineffective and time-consuming for the minority generating task. In this work, we present a novel framework that can make the generation process of the diffusion models focus on the minority samples. We first highlight that Tweedie's denoising formula yields favorable results for majority samples. The observation motivates us to introduce a metric that describes the uniqueness of a given sample. To address the inherent preference of the diffusion models w.r.t. the majority samples, we further develop minority guidance, a sampling technique that can guide the generation process toward regions with desired likelihood levels. Experiments on benchmark real datasets demonstrate that our minority guidance can greatly improve the capability of generating high-quality minority samples over existing generative samplers. We showcase that the performance benefit of our framework persists even in demanding real-world scenarios such as medical imaging, further underscoring the practical significance of our work. Code is available at https://github.com/soobin-um/minority-guidance.

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

Multi-dataset training provides a viable solution for exploiting heterogeneous large-scale datasets without extra annotation cost. In this work, we propose a scalable multi-dataset detector (ScaleDet) that can scale up its generalization across datasets when increasing the number of training datasets. Unlike existing multi-dataset learners that mostly rely on manual relabelling efforts or sophisticated optimizations to unify labels across datasets, we introduce a simple yet scalable formulation to derive a unified semantic label space for multi-dataset training. ScaleDet is trained by visual-textual alignment to learn the label assignment with label semantic similarities across datasets. Once trained, ScaleDet can generalize well on any given upstream and downstream datasets with seen and unseen classes. We conduct extensive experiments using LVIS, COCO, Objects365, OpenImages as upstream datasets, and 13 datasets from Object Detection in the Wild (ODinW) as downstream datasets. Our results show that ScaleDet achieves compelling strong model performance with an mAP of 50.7 on LVIS, 58.8 on COCO, 46.8 on Objects365, 76.2 on OpenImages, and 71.8 on ODinW, surpassing state-of-the-art detectors with the same backbone.

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.

Machine learning based decision-support tools in criminal justice systems are subjects of intense discussions and academic research. There are important open questions about the utility and fairness of such tools. Academic researchers often rely on a few small datasets that are not sufficient to empirically study various real-world aspects of these questions. In this paper, we contribute WCLD, a curated large dataset of 1.5 million criminal cases from circuit courts in the U.S. state of Wisconsin. We used reliable public data from 1970 to 2020 to curate attributes like prior criminal counts and recidivism outcomes. The dataset contains large number of samples from five racial groups, in addition to information like sex and age (at judgment and first offense). Other attributes in this dataset include neighborhood characteristics obtained from census data, detailed types of offense, charge severity, case decisions, sentence lengths, year of filing etc. We also provide pseudo-identifiers for judge, county and zipcode. The dataset will not only enable researchers to more rigorously study algorithmic fairness in the context of criminal justice, but also relate algorithmic challenges with various systemic issues. We also discuss in detail the process of constructing the dataset and provide a datasheet. The WCLD dataset is available at https://clezdata.github.io/wcld/.

The machine learning community currently has no standardized process for documenting datasets, which can lead to severe consequences in high-stakes domains. To address this gap, we propose datasheets for datasets. In the electronics industry, every component, no matter how simple or complex, is accompanied with a datasheet that describes its operating characteristics, test results, recommended uses, and other information. By analogy, we propose that every dataset be accompanied with a datasheet that documents its motivation, composition, collection process, recommended uses, and so on. Datasheets for datasets will facilitate better communication between dataset creators and dataset consumers, and encourage the machine learning community to prioritize transparency and accountability.

Data is a critical resource for machine learning (ML), yet working with data remains a key friction point. This paper introduces Croissant, a metadata format for datasets that creates a shared representation across ML tools, frameworks, and platforms. Croissant makes datasets more discoverable, portable, and interoperable, thereby addressing significant challenges in ML data management. Croissant is already supported by several popular dataset repositories, spanning hundreds of thousands of datasets, enabling easy loading into the most commonly-used ML frameworks, regardless of where the data is stored. Our initial evaluation by human raters shows that Croissant metadata is readable, understandable, complete, yet concise.

Increasing interest in reasoning models has led math to become a prominent testing ground for algorithmic and methodological improvements. However, existing open math datasets either contain a small collection of high-quality, human-written problems or a large corpus of machine-generated problems of uncertain quality, forcing researchers to choose between quality and quantity. In this work, we present Big-Math, a dataset of over 250,000 high-quality math questions with verifiable answers, purposefully made for reinforcement learning (RL). To create Big-Math, we rigorously filter, clean, and curate openly available datasets, extracting questions that satisfy our three desiderata: (1) problems with uniquely verifiable solutions, (2) problems that are open-ended, (3) and problems with a closed-form solution. To ensure the quality of Big-Math, we manually verify each step in our filtering process. Based on the findings from our filtering process, we introduce 47,000 new questions with verified answers, Big-Math-Reformulated: closed-ended questions (i.e. multiple choice questions) that have been reformulated as open-ended questions through a systematic reformulation algorithm. Compared to the most commonly used existing open-source datasets for math reasoning, GSM8k and MATH, Big-Math is an order of magnitude larger, while our rigorous filtering ensures that we maintain the questions most suitable for RL. We also provide a rigorous analysis of the dataset, finding that Big-Math contains a high degree of diversity across problem domains, and incorporates a wide range of problem difficulties, enabling a wide range of downstream uses for models of varying capabilities and training requirements. By bridging the gap between data quality and quantity, Big-Math establish a robust foundation for advancing reasoning in LLMs.

In this brief technical report we introduce the CINIC-10 dataset as a plug-in extended alternative for CIFAR-10. It was compiled by combining CIFAR-10 with images selected and downsampled from the ImageNet database. We present the approach to compiling the dataset, illustrate the example images for different classes, give pixel distributions for each part of the repository, and give some standard benchmarks for well known models. Details for download, usage, and compilation can be found in the associated github repository.

Polar slice sampling (Roberts & Rosenthal, 2002) is a Markov chain approach for approximate sampling of distributions that is difficult, if not impossible, to implement efficiently, but behaves provably well with respect to the dimension. By updating the directional and radial components of chain iterates separately, we obtain a family of samplers that mimic polar slice sampling, and yet can be implemented efficiently. Numerical experiments in a variety of settings indicate that our proposed algorithm outperforms the two most closely related approaches, elliptical slice sampling (Murray et al., 2010) and hit-and-run uniform slice sampling (MacKay, 2003). We prove the well-definedness and convergence of our methods under suitable assumptions on the target distribution.

Model attribution is a popular tool to explain the rationales behind model predictions. However, recent work suggests that the attributions are vulnerable to minute perturbations, which can be added to input samples to fool the attributions while maintaining the prediction outputs. Although empirical studies have shown positive performance via adversarial training, an effective certified defense method is eminently needed to understand the robustness of attributions. In this work, we propose to use uniform smoothing technique that augments the vanilla attributions by noises uniformly sampled from a certain space. It is proved that, for all perturbations within the attack region, the cosine similarity between uniformly smoothed attribution of perturbed sample and the unperturbed sample is guaranteed to be lower bounded. We also derive alternative formulations of the certification that is equivalent to the original one and provides the maximum size of perturbation or the minimum smoothing radius such that the attribution can not be perturbed. We evaluate the proposed method on three datasets and show that the proposed method can effectively protect the attributions from attacks, regardless of the architecture of networks, training schemes and the size of the datasets.

Finetuning large language models on instruction data is crucial for enhancing pre-trained knowledge and improving instruction-following capabilities. As instruction datasets proliferate, selecting optimal data for effective training becomes increasingly important. This work addresses the question: How can we determine the optimal subset of data for effective training? While existing research often emphasizes local criteria like instance quality for subset selection, we argue that a global approach focused on data diversity is more critical. Our method employs k-means clustering to ensure the selected subset effectively represents the full dataset. We propose an iterative refinement method inspired by active learning techniques to resample instances from clusters, reassessing each cluster's importance and sampling weight in every training iteration. This approach reduces the effect of outliers and automatically filters out clusters containing low-quality data. Through extensive evaluation across natural language reasoning, general world knowledge, code and math reasoning tasks, and by fine-tuning models from various families, we observe consistent improvements, achieving a 7% increase over random selection and a 3.8% improvement over state-of-the-art sampling methods. Our work highlights the significance of diversity-first sampling when finetuning LLMs to enhance performance across a broad array of evaluation tasks. Our code is available at https://github.com/for-ai/iterative-data-selection.

We study the problem of imputing missing values in a dataset, which has important applications in many domains. The key to missing value imputation is to capture the data distribution with incomplete samples and impute the missing values accordingly. In this paper, by leveraging the fact that any two batches of data with missing values come from the same data distribution, we propose to impute the missing values of two batches of samples by transforming them into a latent space through deep invertible functions and matching them distributionally. To learn the transformations and impute the missing values simultaneously, a simple and well-motivated algorithm is proposed. Our algorithm has fewer hyperparameters to fine-tune and generates high-quality imputations regardless of how missing values are generated. Extensive experiments over a large number of datasets and competing benchmark algorithms show that our method achieves state-of-the-art performance.

Methods for carefully selecting or generating a small set of training data to learn from, i.e., data pruning, coreset selection, and data distillation, have been shown to be effective in reducing the ever-increasing cost of training neural networks. Behind this success are rigorously designed strategies for identifying informative training examples out of large datasets. However, these strategies come with additional computational costs associated with subset selection or data distillation before training begins, and furthermore, many are shown to even under-perform random sampling in high data compression regimes. As such, many data pruning, coreset selection, or distillation methods may not reduce 'time-to-accuracy', which has become a critical efficiency measure of training deep neural networks over large datasets. In this work, we revisit a powerful yet overlooked random sampling strategy to address these challenges and introduce an approach called Repeated Sampling of Random Subsets (RSRS or RS2), where we randomly sample the subset of training data for each epoch of model training. We test RS2 against thirty state-of-the-art data pruning and data distillation methods across four datasets including ImageNet. Our results demonstrate that RS2 significantly reduces time-to-accuracy compared to existing techniques. For example, when training on ImageNet in the high-compression regime (using less than 10% of the dataset each epoch), RS2 yields accuracy improvements up to 29% compared to competing pruning methods while offering a runtime reduction of 7x. Beyond the above meta-study, we provide a convergence analysis for RS2 and discuss its generalization capability. The primary goal of our work is to establish RS2 as a competitive baseline for future data selection or distillation techniques aimed at efficient training.

The rise of capabilities expressed by large language models has been quickly followed by the integration of the same complex systems into application level logic. Algorithms, programs, systems, and companies are built around structured prompting to black box models where the majority of the design and implementation lies in capturing and quantifying the `agent mode'. The standard way to shape a closed language model is to prime it for a specific task with a tailored prompt, often initially handwritten by a human. The textual prompts co-evolve with the codebase, taking shape over the course of project life as artifacts which must be reviewed and maintained, just as the traditional code files might be. Unlike traditional code, we find that prompts do not receive effective static testing and linting to prevent runtime issues. In this work, we present a novel dataset called PromptSet, with more than 61,000 unique developer prompts used in open source Python programs. We perform analysis on this dataset and introduce the notion of a static linter for prompts. Released with this publication is a HuggingFace dataset and a Github repository to recreate collection and processing efforts, both under the name pisterlabs/promptset.

At the core of many important machine learning problems faced by online streaming services is a need to model how users interact with the content they are served. Unfortunately, there are no public datasets currently available that enable researchers to explore this topic. In order to spur that research, we release the Music Streaming Sessions Dataset (MSSD), which consists of 160 million listening sessions and associated user actions. Furthermore, we provide audio features and metadata for the approximately 3.7 million unique tracks referred to in the logs. This is the largest collection of such track metadata currently available to the public. This dataset enables research on important problems including how to model user listening and interaction behaviour in streaming, as well as Music Information Retrieval (MIR), and session-based sequential recommendations. Additionally, a subset of sessions were collected using a uniformly random recommendation setting, enabling their use for counterfactual evaluation of such sequential recommendations. Finally, we provide an analysis of user behavior and suggest further research problems which can be addressed using the dataset.

Large multimodal models trained on natural documents, which interleave images and text, outperform models trained on image-text pairs on various multimodal benchmarks. However, the datasets used to train these models have not been released, and the collection process has not been fully specified. We introduce the OBELICS dataset, an open web-scale filtered dataset of interleaved image-text documents comprising 141 million web pages extracted from Common Crawl, 353 million associated images, and 115 billion text tokens. We describe the dataset creation process, present comprehensive filtering rules, and provide an analysis of the dataset's content. To show the viability of OBELICS, we train vision and language models of 9 and 80 billion parameters named IDEFICS, and obtain competitive performance on different multimodal benchmarks. We release our dataset, models and code.

Dataset distillation and dataset pruning are two prominent techniques for compressing datasets to improve computational and storage efficiency. Despite their overlapping objectives, these approaches are rarely compared directly. Even within each field, the evaluation protocols are inconsistent across various methods, which complicates fair comparisons and hinders reproducibility. Considering these limitations, we introduce in this paper a benchmark that equitably evaluates methodologies across both distillation and pruning literatures. Notably, our benchmark reveals that in the mainstream dataset distillation setting for large-scale datasets, which heavily rely on soft labels from pre-trained models, even randomly selected subsets can achieve surprisingly competitive performance. This finding suggests that an overemphasis on soft labels may be diverting attention from the intrinsic value of the image data, while also imposing additional burdens in terms of generation, storage, and application. To address these issues, we propose a new framework for dataset compression, termed Prune, Combine, and Augment (PCA), which focuses on leveraging image data exclusively, relies solely on hard labels for evaluation, and achieves state-of-the-art performance in this setup. By shifting the emphasis back to the images, our benchmark and PCA framework pave the way for more balanced and accessible techniques in dataset compression research. Our code is available at: https://github.com/ArmandXiao/Rethinking-Dataset-Compression

Many machine learning algorithms are trained and evaluated by splitting data from a single source into training and test sets. While such focus on in-distribution learning scenarios has led to interesting advancement, it has not been able to tell if models are relying on dataset biases as shortcuts for successful prediction (e.g., using snow cues for recognising snowmobiles), resulting in biased models that fail to generalise when the bias shifts to a different class. The cross-bias generalisation problem has been addressed by de-biasing training data through augmentation or re-sampling, which are often prohibitive due to the data collection cost (e.g., collecting images of a snowmobile on a desert) and the difficulty of quantifying or expressing biases in the first place. In this work, we propose a novel framework to train a de-biased representation by encouraging it to be different from a set of representations that are biased by design. This tactic is feasible in many scenarios where it is much easier to define a set of biased representations than to define and quantify bias. We demonstrate the efficacy of our method across a variety of synthetic and real-world biases; our experiments show that the method discourages models from taking bias shortcuts, resulting in improved generalisation. Source code is available at https://github.com/clovaai/rebias.

This paper revisits datasets and evaluation criteria for Symbolic Regression, a task of expressing given data using mathematical equations, specifically focused on its potential for scientific discovery. Focused on a set of formulas used in the existing datasets based on Feynman Lectures on Physics, we recreate 120 datasets to discuss the performance of symbolic regression for scientific discovery (SRSD). For each of the 120 SRSD datasets, we carefully review the properties of the formula and its variables to design reasonably realistic sampling range of values so that our new SRSD datasets can be used for evaluating the potential of SRSD such as whether or not an SR method can (re)discover physical laws from such datasets. As an evaluation metric, we also propose to use normalized edit distances between a predicted equation and the ground-truth equation trees. While existing metrics are either binary or errors between the target values and an SR model's predicted values for a given input, normalized edit distances evaluate a sort of similarity between the ground-truth and predicted equation trees. We have conducted experiments on our new SRSD datasets using five state-of-the-art SR methods in SRBench and a simple baseline based on a recent Transformer architecture. The results show that we provide a more realistic performance evaluation and open up a new machine learning-based approach for scientific discovery. Our datasets and code repository are publicly available.

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.

The FAIR Guiding Principles aim to improve the findability, accessibility, interoperability, and reusability of digital content by making them both human and machine actionable. However, these principles have not yet been broadly adopted in the domain of machine learning-based program analyses and optimizations for High-Performance Computing (HPC). In this paper, we design a methodology to make HPC datasets and machine learning models FAIR after investigating existing FAIRness assessment and improvement techniques. Our methodology includes a comprehensive, quantitative assessment for elected data, followed by concrete, actionable suggestions to improve FAIRness with respect to common issues related to persistent identifiers, rich metadata descriptions, license and provenance information. Moreover, we select a representative training dataset to evaluate our methodology. The experiment shows the methodology can effectively improve the dataset and model's FAIRness from an initial score of 19.1% to the final score of 83.0%.

The public availability of collections containing user preferences is of vital importance for performing offline evaluations in the field of recommender systems. However, the number of rating datasets is limited because of the costs required for their creation and the fear of violating the privacy of the users by sharing them. For this reason, numerous research attempts investigated the creation of synthetic collections of ratings using generative approaches. Nevertheless, these datasets are usually not reliable enough for conducting an evaluation campaign. In this paper, we propose a method for creating synthetic datasets with a configurable number of users that mimic the characteristics of already existing ones. We empirically validated the proposed approach by exploiting the synthetic datasets for evaluating different recommenders and by comparing the results with the ones obtained using real datasets.

We present a straightforward statistical test to detect certain violations of the assumption that the data are Independent and Identically Distributed (IID). The specific form of violation considered is common across real-world applications: whether the examples are ordered in the dataset such that almost adjacent examples tend to have more similar feature values (e.g. due to distributional drift, or attractive interactions between datapoints). Based on a k-Nearest Neighbors estimate, our approach can be used to audit any multivariate numeric data as well as other data types (image, text, audio, etc.) that can be numerically represented, perhaps with model embeddings. Compared with existing methods to detect drift or auto-correlation, our approach is both applicable to more types of data and also able to detect a wider variety of IID violations in practice. Code: https://github.com/cleanlab/cleanlab

Instance segmentation is data-hungry, and as model capacity increases, data scale becomes crucial for improving the accuracy. Most instance segmentation datasets today require costly manual annotation, limiting their data scale. Models trained on such data are prone to overfitting on the training set, especially for those rare categories. While recent works have delved into exploiting generative models to create synthetic datasets for data augmentation, these approaches do not efficiently harness the full potential of generative models. To address these issues, we introduce a more efficient strategy to construct generative datasets for data augmentation, termed DiverGen. Firstly, we provide an explanation of the role of generative data from the perspective of distribution discrepancy. We investigate the impact of different data on the distribution learned by the model. We argue that generative data can expand the data distribution that the model can learn, thus mitigating overfitting. Additionally, we find that the diversity of generative data is crucial for improving model performance and enhance it through various strategies, including category diversity, prompt diversity, and generative model diversity. With these strategies, we can scale the data to millions while maintaining the trend of model performance improvement. On the LVIS dataset, DiverGen significantly outperforms the strong model X-Paste, achieving +1.1 box AP and +1.1 mask AP across all categories, and +1.9 box AP and +2.5 mask AP for rare categories.

Pre-training foundation models on large-scale datasets demonstrates exceptional performance. However, recent research questions this traditional notion, exploring whether an increase in pre-training data always leads to enhanced model performance. To address this issue, data-effective learning approaches have been introduced. However, current methods in this area lack a clear standard for sample selection. Our experiments reveal that by maximizing V-information, sample selection can be framed as an optimization problem, enabling effective improvement in model performance even with fewer samples. Under this guidance, we develop an optimal data-effective learning method (OptiDEL) to maximize V-information. The OptiDEL method generates hard samples to achieve or even exceed the performance of models trained on the full dataset while using substantially less data. We compare the OptiDEL method with state-of-the-art approaches finding that OptiDEL consistently outperforms existing approaches across different datasets, with foundation models trained on only 5% of the pre-training data surpassing the performance of those trained on the full dataset.

Training a large and state-of-the-art machine learning model typically necessitates the use of large-scale datasets, which, in turn, makes the training and parameter-tuning process expensive and time-consuming. Some researchers opt to distil information from real-world datasets into tiny and compact synthetic datasets while maintaining their ability to train a well-performing model, hence proposing a data-efficient method known as Dataset Distillation (DD). Despite recent progress in this field, existing methods still underperform and cannot effectively replace large datasets. In this paper, unlike previous methods that focus solely on improving the efficacy of student distillation, we are the first to recognize the important interplay between expert and student. We argue the significant impact of expert smoothness when employing more potent expert trajectories in subsequent dataset distillation. Based on this, we introduce the integration of clipping loss and gradient penalty to regulate the rate of parameter changes in expert trajectories. Furthermore, in response to the sensitivity exhibited towards randomly initialized variables during distillation, we propose representative initialization for synthetic dataset and balanced inner-loop loss. Finally, we present two enhancement strategies, namely intermediate matching loss and weight perturbation, to mitigate the potential occurrence of cumulative errors. We conduct extensive experiments on datasets of different scales, sizes, and resolutions. The results demonstrate that the proposed method significantly outperforms prior methods.

The quality of underlying training data is very crucial for building performant machine learning models with wider generalizabilty. However, current machine learning (ML) tools lack streamlined processes for improving the data quality. So, getting data quality insights and iteratively pruning the errors to obtain a dataset which is most representative of downstream use cases is still an ad-hoc manual process. Our work addresses this data tooling gap, required to build improved ML workflows purely through data-centric techniques. More specifically, we introduce a systematic framework for (1) finding noisy or mislabelled samples in the dataset and, (2) identifying the most informative samples, which when included in training would provide maximal model performance lift. We demonstrate the efficacy of our framework on public as well as private enterprise datasets of two Fortune 500 companies, and are confident this work will form the basis for ML teams to perform more intelligent data discovery and pruning.

Large-scale data sets on scholarly publications are the basis for a variety of bibliometric analyses and natural language processing (NLP) applications. Especially data sets derived from publication's full-text have recently gained attention. While several such data sets already exist, we see key shortcomings in terms of their domain and time coverage, citation network completeness, and representation of full-text content. To address these points, we propose a new version of the data set unarXive. We base our data processing pipeline and output format on two existing data sets, and improve on each of them. Our resulting data set comprises 1.9 M publications spanning multiple disciplines and 32 years. It furthermore has a more complete citation network than its predecessors and retains a richer representation of document structure as well as non-textual publication content such as mathematical notation. In addition to the data set, we provide ready-to-use training/test data for citation recommendation and IMRaD classification. All data and source code is publicly available at https://github.com/IllDepence/unarXive.

One-shot coreset selection aims to select a representative subset of the training data, given a pruning rate, that can later be used to train future models while retaining high accuracy. State-of-the-art coreset selection methods pick the highest importance examples based on an importance metric and are found to perform well at low pruning rates. However, at high pruning rates, they suffer from a catastrophic accuracy drop, performing worse than even random sampling. This paper explores the reasons behind this accuracy drop both theoretically and empirically. We first propose a novel metric to measure the coverage of a dataset on a specific distribution by extending the classical geometric set cover problem to a distribution cover problem. This metric helps explain why coresets selected by SOTA methods at high pruning rates perform poorly compared to random sampling because of worse data coverage. We then propose a novel one-shot coreset selection method, Coverage-centric Coreset Selection (CCS), that jointly considers overall data coverage upon a distribution as well as the importance of each example. We evaluate CCS on five datasets and show that, at high pruning rates (e.g., 90%), it achieves significantly better accuracy than previous SOTA methods (e.g., at least 19.56% higher on CIFAR10) as well as random selection (e.g., 7.04% higher on CIFAR10) and comparable accuracy at low pruning rates. We make our code publicly available at https://github.com/haizhongzheng/Coverage-centric-coreset-selection.

Recent research on robustness has revealed significant performance gaps between neural image classifiers trained on datasets that are similar to the test set, and those that are from a naturally shifted distribution, such as sketches, paintings, and animations of the object categories observed during training. Prior work focuses on reducing this gap by designing engineered augmentations of training data or through unsupervised pretraining of a single large model on massive in-the-wild training datasets scraped from the Internet. However, the notion of a dataset is also undergoing a paradigm shift in recent years. With drastic improvements in the quality, ease-of-use, and access to modern generative models, generated data is pervading the web. In this light, we study the question: How do these generated datasets influence the natural robustness of image classifiers? We find that Imagenet classifiers trained on real data augmented with generated data achieve higher accuracy and effective robustness than standard training and popular augmentation strategies in the presence of natural distribution shifts. We analyze various factors influencing these results, including the choice of conditioning strategies and the amount of generated data. Lastly, we introduce and analyze an evolving generated dataset, ImageNet-G-v1, to better benchmark the design, utility, and critique of standalone generated datasets for robust and trustworthy machine learning. The code and datasets are available at https://github.com/Hritikbansal/generative-robustness.

Language models can serve as a valuable tool for software developers to increase productivity. Large generative models can be used for code generation and code completion, while smaller encoder-only models are capable of performing code search tasks using natural language queries.These capabilities are heavily influenced by the quality and diversity of the available training data. Source code datasets used for training usually focus on the most popular languages and testing is mostly conducted on the same distributions, often overlooking low-resource programming languages. Motivated by the NLP generalization taxonomy proposed by Hupkes et.\,al., we propose a new benchmark dataset called GenCodeSearchNet (GeCS) which builds upon existing natural language code search datasets to systemically evaluate the programming language understanding generalization capabilities of language models. As part of the full dataset, we introduce a new, manually curated subset StatCodeSearch that focuses on R, a popular but so far underrepresented programming language that is often used by researchers outside the field of computer science. For evaluation and comparison, we collect several baseline results using fine-tuned BERT-style models and GPT-style large language models in a zero-shot setting.

Datasets scraped from the internet have been critical to the successes of large-scale machine learning. Yet, this very success puts the utility of future internet-derived datasets at potential risk, as model outputs begin to replace human annotations as a source of supervision. In this work, we first formalize a system where interactions with one model are recorded as history and scraped as training data in the future. We then analyze its stability over time by tracking changes to a test-time bias statistic (e.g. gender bias of model predictions). We find that the degree of bias amplification is closely linked to whether the model's outputs behave like samples from the training distribution, a behavior which we characterize and define as consistent calibration. Experiments in three conditional prediction scenarios - image classification, visual role-labeling, and language generation - demonstrate that models that exhibit a sampling-like behavior are more calibrated and thus more stable. Based on this insight, we propose an intervention to help calibrate and stabilize unstable feedback systems. Code is available at https://github.com/rtaori/data_feedback.

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.

Solving mathematical problems requires advanced reasoning abilities and presents notable challenges for large language models. Previous works usually synthesize data from proprietary models to augment existing datasets, followed by instruction tuning to achieve top-tier results. However, our analysis of these datasets reveals severe biases towards easy queries, with frequent failures to generate any correct response for the most challenging queries. Hypothesizing that difficult queries are crucial to learn complex reasoning, we propose Difficulty-Aware Rejection Tuning (DART), a method that allocates difficult queries more trials during the synthesis phase, enabling more extensive training on difficult samples. Utilizing DART, we have created new datasets for mathematical problem-solving that focus more on difficult queries and are substantially smaller than previous ones. Remarkably, our synthesis process solely relies on a 7B-sized open-weight model, without reliance on the commonly used proprietary GPT-4. We fine-tune various base models on our datasets ranging from 7B to 70B in size, resulting in a series of strong models called DART-MATH. In comprehensive in-domain and out-of-domain evaluation on 6 mathematical benchmarks, DART-MATH outperforms vanilla rejection tuning significantly, being superior or comparable to previous arts, despite using much smaller datasets and no proprietary models. Furthermore, our results position our synthetic datasets as the most effective and cost-efficient publicly available resources for advancing mathematical problem-solving.

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.

We investigate statistical properties of a likelihood approach to nonparametric estimation of a singular distribution using deep generative models. More specifically, a deep generative model is used to model high-dimensional data that are assumed to concentrate around some low-dimensional structure. Estimating the distribution supported on this low-dimensional structure, such as a low-dimensional manifold, is challenging due to its singularity with respect to the Lebesgue measure in the ambient space. In the considered model, a usual likelihood approach can fail to estimate the target distribution consistently due to the singularity. We prove that a novel and effective solution exists by perturbing the data with an instance noise, which leads to consistent estimation of the underlying distribution with desirable convergence rates. We also characterize the class of distributions that can be efficiently estimated via deep generative models. This class is sufficiently general to contain various structured distributions such as product distributions, classically smooth distributions and distributions supported on a low-dimensional manifold. Our analysis provides some insights on how deep generative models can avoid the curse of dimensionality for nonparametric distribution estimation. We conduct a thorough simulation study and real data analysis to empirically demonstrate that the proposed data perturbation technique improves the estimation performance significantly.

We study the problem of designing models for machine learning tasks defined on sets. In contrast to traditional approach of operating on fixed dimensional vectors, we consider objective functions defined on sets that are invariant to permutations. Such problems are widespread, ranging from estimation of population statistics poczos13aistats, to anomaly detection in piezometer data of embankment dams Jung15Exploration, to cosmology Ntampaka16Dynamical,Ravanbakhsh16ICML1. Our main theorem characterizes the permutation invariant functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We also derive the necessary and sufficient conditions for permutation equivariance in deep models. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and outlier detection.

Data heterogeneity in federated learning, characterized by a significant misalignment between local and global distributions, leads to divergent local optimization directions and hinders global model training. Existing studies mainly focus on optimizing local updates or global aggregation, but these indirect approaches demonstrate instability when handling highly heterogeneous data distributions, especially in scenarios where label skew and domain skew coexist. To address this, we propose a geometry-guided data generation method that centers on simulating the global embedding distribution locally. We first introduce the concept of the geometric shape of an embedding distribution and then address the challenge of obtaining global geometric shapes under privacy constraints. Subsequently, we propose GGEUR, which leverages global geometric shapes to guide the generation of new samples, enabling a closer approximation to the ideal global distribution. In single-domain scenarios, we augment samples based on global geometric shapes to enhance model generalization; in multi-domain scenarios, we further employ class prototypes to simulate the global distribution across domains. Extensive experimental results demonstrate that our method significantly enhances the performance of existing approaches in handling highly heterogeneous data, including scenarios with label skew, domain skew, and their coexistence. Code published at: https://github.com/WeiDai-David/2025CVPR_GGEUR

The recent success of distributed word representations has led to an increased interest in analyzing the properties of their spatial distribution. Several studies have suggested that contextualized word embedding models do not isotropically project tokens into vector space. However, current methods designed to measure isotropy, such as average random cosine similarity and the partition score, have not been thoroughly analyzed and are not appropriate for measuring isotropy. We propose IsoScore: a novel tool that quantifies the degree to which a point cloud uniformly utilizes the ambient vector space. Using rigorously designed tests, we demonstrate that IsoScore is the only tool available in the literature that accurately measures how uniformly distributed variance is across dimensions in vector space. Additionally, we use IsoScore to challenge a number of recent conclusions in the NLP literature that have been derived using brittle metrics of isotropy. We caution future studies from using existing tools to measure isotropy in contextualized embedding space as resulting conclusions will be misleading or altogether inaccurate.

In order to properly train a machine learning model, data must be properly collected. To guarantee a proper data collection, verifying that the collected data set holds certain properties is a possible solution. For example, guaranteeing that the data set contains samples across the whole input space, or that the data set is balanced w.r.t. different classes. We present a formal approach for verifying a set of arbitrarily stated properties over a data set. The proposed approach relies on the transformation of the data set into a first order logic formula, which can be later verified w.r.t. the different properties also stated in the same logic. A prototype tool, which uses the z3 solver, has been developed; the prototype can take as an input a set of properties stated in a formal language and formally verify a given data set w.r.t. to the given set of properties. Preliminary experimental results show the feasibility and performance of the proposed approach, and furthermore the flexibility for expressing properties of interest.

Current dataset collection methods typically scrape large amounts of data from the web. While this technique is extremely scalable, data collected in this way tends to reinforce stereotypical biases, can contain personally identifiable information, and typically originates from Europe and North America. In this work, we rethink the dataset collection paradigm and introduce GeoDE, a geographically diverse dataset with 61,940 images from 40 classes and 6 world regions, and no personally identifiable information, collected through crowd-sourcing. We analyse GeoDE to understand differences in images collected in this manner compared to web-scraping. Despite the smaller size of this dataset, we demonstrate its use as both an evaluation and training dataset, highlight shortcomings in current models, as well as show improved performances when even small amounts of GeoDE (1000 - 2000 images per region) are added to a training dataset. We release the full dataset and code at https://geodiverse-data-collection.cs.princeton.edu/

Dataset summarisation is a fruitful approach to dataset inspection. However, when applied to a single dataset the discovery of visual concepts is restricted to those most prominent. We argue that a comparative approach can expand upon this paradigm to enable richer forms of dataset inspection that go beyond the most prominent concepts. To enable dataset comparison we present a module that learns concept-level prototypes across datasets. We leverage self-supervised learning to discover these prototypes without supervision, and we demonstrate the benefits of our approach in two case-studies. Our findings show that dataset comparison extends dataset inspection and we hope to encourage more works in this direction. Code and usage instructions available at https://github.com/Nanne/ProtoSim

This paper describes EMBER: a labeled benchmark dataset for training machine learning models to statically detect malicious Windows portable executable files. The dataset includes features extracted from 1.1M binary files: 900K training samples (300K malicious, 300K benign, 300K unlabeled) and 200K test samples (100K malicious, 100K benign). To accompany the dataset, we also release open source code for extracting features from additional binaries so that additional sample features can be appended to the dataset. This dataset fills a void in the information security machine learning community: a benign/malicious dataset that is large, open and general enough to cover several interesting use cases. We enumerate several use cases that we considered when structuring the dataset. Additionally, we demonstrate one use case wherein we compare a baseline gradient boosted decision tree model trained using LightGBM with default settings to MalConv, a recently published end-to-end (featureless) deep learning model for malware detection. Results show that even without hyper-parameter optimization, the baseline EMBER model outperforms MalConv. The authors hope that the dataset, code and baseline model provided by EMBER will help invigorate machine learning research for malware detection, in much the same way that benchmark datasets have advanced computer vision research.

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.

This work considers the category distribution heterogeneity in federated learning. This issue is due to biased labeling preferences at multiple clients and is a typical setting of data heterogeneity. To alleviate this issue, most previous works consider either regularizing local models or fine-tuning the global model, while they ignore the adjustment of aggregation weights and simply assign weights based on the dataset size. However, based on our empirical observations and theoretical analysis, we find that the dataset size is not optimal and the discrepancy between local and global category distributions could be a beneficial and complementary indicator for determining aggregation weights. We thus propose a novel aggregation method, Federated Learning with Discrepancy-aware Collaboration (FedDisco), whose aggregation weights not only involve both the dataset size and the discrepancy value, but also contribute to a tighter theoretical upper bound of the optimization error. FedDisco also promotes privacy-preservation, communication and computation efficiency, as well as modularity. Extensive experiments show that our FedDisco outperforms several state-of-the-art methods and can be easily incorporated with many existing methods to further enhance the performance. Our code will be available at https://github.com/MediaBrain-SJTU/FedDisco.

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.

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

Data quality is crucial for the successful training, generalization and performance of artificial intelligence models. Furthermore, it is known that the leading approaches in artificial intelligence are notoriously data-hungry. In this paper, we propose the use of small training datasets towards faster training. Specifically, we provide a novel topological method based on morphisms between persistence modules to measure the training data quality with respect to the complete dataset. This way, we can provide an explanation of why the chosen training dataset will lead to poor performance.

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.

Deep neural network (DNN) deployment has been confined to larger hardware devices due to their expensive computational requirements. This challenge has recently reached another scale with the emergence of large language models (LLMs). In order to reduce both their memory footprint and latency, a promising technique is quantization. It consists in converting floating point representations to low bit-width fixed point representations, usually by assuming a uniform mapping onto a regular grid. This process, referred to in the literature as uniform quantization, may however be ill-suited as most DNN weights and activations follow a bell-shaped distribution. This is even worse on LLMs whose weight distributions are known to exhibit large, high impact, outlier values. In this work, we propose an improvement over the most commonly adopted way to tackle this limitation in deep learning models quantization, namely, non-uniform quantization. NUPES leverages automorphisms to preserve the scalar multiplications. Such transformations are derived from power functions. However, the optimization of the exponent parameter and weight values remains a challenging and novel problem which could not be solved with previous post training optimization techniques which only learn to round up or down weight values in order to preserve the predictive function. We circumvent this limitation with a new paradigm: learning new quantized weights over the entire quantized space. Similarly, we enable the optimization of the power exponent, i.e. the optimization of the quantization operator itself during training by alleviating all the numerical instabilities. The resulting predictive function is compatible with integer-only low-bit inference. We show the ability of the method to achieve state-of-the-art compression rates in both, data-free and data-driven configurations.

We study the realizability of simplicial complexes with a given pair of integer sequences, representing the node degree distribution and the facet size distribution, respectively. While the s-uniform variant of the problem is NP-complete when s geq 3, we identify two populations of input sequences, most of which can be solved in polynomial time using a recursive algorithm that we contribute. Combining with a sampler for the simplicial configuration model [J.-G. Young et al., Phys. Rev. E 96, 032312 (2017)], we facilitate the efficient sampling of simplicial ensembles from arbitrary degree and size distributions. We find that, contrary to expectations based on dyadic networks, increasing the nodes' degrees reduces the number of loops in simplicial complexes. Our work unveils a fundamental constraint on the degree-size sequences and sheds light on further analysis of higher-order phenomena based on local structures.

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.

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.

This paper introduces a public dataset of 1.4 million procedurally-generated bicycle designs represented parametrically, as JSON files, and as rasterized images. The dataset is created through the use of a rendering engine which harnesses the BikeCAD software to generate vector graphics from parametric designs. This rendering engine is discussed in the paper and also released publicly alongside the dataset. Though this dataset has numerous applications, a principal motivation is the need to train cross-modal predictive models between parametric and image-based design representations. For example, we demonstrate that a predictive model can be trained to accurately estimate Contrastive Language-Image Pretraining (CLIP) embeddings from a parametric representation directly. This allows similarity relations to be established between parametric bicycle designs and text strings or reference images. Trained predictive models are also made public. The dataset joins the BIKED dataset family which includes thousands of mixed-representation human-designed bicycle models and several datasets quantifying design performance. The code and dataset can be found at: https://github.com/Lyleregenwetter/BIKED_multimodal/tree/main

Contemporary machine learning requires training large neural networks on massive datasets and thus faces the challenges of high computational demands. Dataset distillation, as a recent emerging strategy, aims to compress real-world datasets for efficient training. However, this line of research currently struggle with large-scale and high-resolution datasets, hindering its practicality and feasibility. To this end, we re-examine the existing dataset distillation methods and identify three properties required for large-scale real-world applications, namely, realism, diversity, and efficiency. As a remedy, we propose RDED, a novel computationally-efficient yet effective data distillation paradigm, to enable both diversity and realism of the distilled data. Extensive empirical results over various neural architectures and datasets demonstrate the advancement of RDED: we can distill the full ImageNet-1K to a small dataset comprising 10 images per class within 7 minutes, achieving a notable 42% top-1 accuracy with ResNet-18 on a single RTX-4090 GPU (while the SOTA only achieves 21% but requires 6 hours).

Estimating the difficulty of a dataset typically involves comparing state-of-the-art models to humans; the bigger the performance gap, the harder the dataset is said to be. However, this comparison provides little understanding of how difficult each instance in a given distribution is, or what attributes make the dataset difficult for a given model. To address these questions, we frame dataset difficulty -- w.r.t. a model V -- as the lack of V-usable information (Xu et al., 2019), where a lower value indicates a more difficult dataset for V. We further introduce pointwise \mathcal{V-information} (PVI) for measuring the difficulty of individual instances w.r.t. a given distribution. While standard evaluation metrics typically only compare different models for the same dataset, V-usable information and PVI also permit the converse: for a given model V, we can compare different datasets, as well as different instances/slices of the same dataset. Furthermore, our framework allows for the interpretability of different input attributes via transformations of the input, which we use to discover annotation artefacts in widely-used NLP benchmarks.

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

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.

Large datasets have become commonplace in NLP research. However, the increased emphasis on data quantity has made it challenging to assess the quality of data. We introduce Data Maps---a model-based tool to characterize and diagnose datasets. We leverage a largely ignored source of information: the behavior of the model on individual instances during training (training dynamics) for building data maps. This yields two intuitive measures for each example---the model's confidence in the true class, and the variability of this confidence across epochs---obtained in a single run of training. Experiments across four datasets show that these model-dependent measures reveal three distinct regions in the data map, each with pronounced characteristics. First, our data maps show the presence of "ambiguous" regions with respect to the model, which contribute the most towards out-of-distribution generalization. Second, the most populous regions in the data are "easy to learn" for the model, and play an important role in model optimization. Finally, data maps uncover a region with instances that the model finds "hard to learn"; these often correspond to labeling errors. Our results indicate that a shift in focus from quantity to quality of data could lead to robust models and improved out-of-distribution generalization.

Image datasets are essential not only in validating existing methods in computer vision but also in developing new methods. Most existing image datasets focus on trichromatic intensity images to mimic human vision. However, polarization and spectrum, the wave properties of light that animals in harsh environments and with limited brain capacity often rely on, remain underrepresented in existing datasets. Although spectro-polarimetric datasets exist, these datasets have insufficient object diversity, limited illumination conditions, linear-only polarization data, and inadequate image count. Here, we introduce two spectro-polarimetric datasets: trichromatic Stokes images and hyperspectral Stokes images. These novel datasets encompass both linear and circular polarization; they introduce multiple spectral channels; and they feature a broad selection of real-world scenes. With our dataset in hand, we analyze the spectro-polarimetric image statistics, develop efficient representations of such high-dimensional data, and evaluate spectral dependency of shape-from-polarization methods. As such, the proposed dataset promises a foundation for data-driven spectro-polarimetric imaging and vision research. Dataset and code will be publicly available.

Vision tasks are characterized by the properties of locality and translation invariance. The superior performance of convolutional neural networks (CNNs) on these tasks is widely attributed to the inductive bias of locality and weight sharing baked into their architecture. Existing attempts to quantify the statistical benefits of these biases in CNNs over locally connected convolutional neural networks (LCNs) and fully connected neural networks (FCNs) fall into one of the following categories: either they disregard the optimizer and only provide uniform convergence upper bounds with no separating lower bounds, or they consider simplistic tasks that do not truly mirror the locality and translation invariance as found in real-world vision tasks. To address these deficiencies, we introduce the Dynamic Signal Distribution (DSD) classification task that models an image as consisting of k patches, each of dimension d, and the label is determined by a d-sparse signal vector that can freely appear in any one of the k patches. On this task, for any orthogonally equivariant algorithm like gradient descent, we prove that CNNs require O(k+d) samples, whereas LCNs require Omega(kd) samples, establishing the statistical advantages of weight sharing in translation invariant tasks. Furthermore, LCNs need O(k(k+d)) samples, compared to Omega(k^2d) samples for FCNs, showcasing the benefits of locality in local tasks. Additionally, we develop information theoretic tools for analyzing randomized algorithms, which may be of interest for statistical research.

We begin the study of list-decodable linear regression using batches. In this setting only an alpha in (0,1] fraction of the batches are genuine. Each genuine batch contains ge n i.i.d. samples from a common unknown distribution and the remaining batches may contain arbitrary or even adversarial samples. We derive a polynomial time algorithm that for any nge tilde Omega(1/alpha) returns a list of size mathcal O(1/alpha^2) such that one of the items in the list is close to the true regression parameter. The algorithm requires only mathcal{O}(d/alpha^2) genuine batches and works under fairly general assumptions on the distribution. The results demonstrate the utility of batch structure, which allows for the first polynomial time algorithm for list-decodable regression, which may be impossible for the non-batch setting, as suggested by a recent SQ lower bound diakonikolas2021statistical for the non-batch setting.

There is growing evidence that pretraining on high quality, carefully thought-out tokens such as code or mathematics plays an important role in improving the reasoning abilities of large language models. For example, Minerva, a PaLM model finetuned on billions of tokens of mathematical documents from arXiv and the web, reported dramatically improved performance on problems that require quantitative reasoning. However, because all known open source web datasets employ preprocessing that does not faithfully preserve mathematical notation, the benefits of large scale training on quantitive web documents are unavailable to the research community. We introduce OpenWebMath, an open dataset inspired by these works containing 14.7B tokens of mathematical webpages from Common Crawl. We describe in detail our method for extracting text and LaTeX content and removing boilerplate from HTML documents, as well as our methods for quality filtering and deduplication. Additionally, we run small-scale experiments by training 1.4B parameter language models on OpenWebMath, showing that models trained on 14.7B tokens of our dataset surpass the performance of models trained on over 20x the amount of general language data. We hope that our dataset, openly released on the Hugging Face Hub, will help spur advances in the reasoning abilities of large language models.

We introduce a fairness-aware dataset for job recommendation in advertising, designed to foster research in algorithmic fairness within real-world scenarios. It was collected and prepared to comply with privacy standards and business confidentiality. An additional challenge is the lack of access to protected user attributes such as gender, for which we propose a solution to obtain a proxy estimate. Despite being anonymized and including a proxy for a sensitive attribute, our dataset preserves predictive power and maintains a realistic and challenging benchmark. This dataset addresses a significant gap in the availability of fairness-focused resources for high-impact domains like advertising -- the actual impact being having access or not to precious employment opportunities, where balancing fairness and utility is a common industrial challenge. We also explore various stages in the advertising process where unfairness can occur and introduce a method to compute a fair utility metric for the job recommendations in online systems case from a biased dataset. Experimental evaluations of bias mitigation techniques on the released dataset demonstrate potential improvements in fairness and the associated trade-offs with utility.

Recently proposed large-scale text-to-image generative models such as DALLcdotE 2, Midjourney, and StableDiffusion can generate high-quality and realistic images from users' prompts. Not limited to the research community, ordinary Internet users enjoy these generative models, and consequently, a tremendous amount of generated images have been shared on the Internet. Meanwhile, today's success of deep learning in the computer vision field owes a lot to images collected from the Internet. These trends lead us to a research question: "will such generated images impact the quality of future datasets and the performance of computer vision models positively or negatively?" This paper empirically answers this question by simulating contamination. Namely, we generate ImageNet-scale and COCO-scale datasets using a state-of-the-art generative model and evaluate models trained with "contaminated" datasets on various tasks, including image classification and image generation. Throughout experiments, we conclude that generated images negatively affect downstream performance, while the significance depends on tasks and the amount of generated images. The generated datasets and the codes for experiments will be publicly released for future research. Generated datasets and source codes are available from https://github.com/moskomule/dataset-contamination.

Standard training datasets for deep learning often contain objects in common settings (e.g., "a horse on grass" or "a ship in water") since they are usually collected by randomly scraping the web. Uncommon and rare settings (e.g., "a plane on water", "a car in snowy weather") are thus severely under-represented in the training data. This can lead to an undesirable bias in model predictions towards common settings and create a false sense of accuracy. In this paper, we introduce FOCUS (Familiar Objects in Common and Uncommon Settings), a dataset for stress-testing the generalization power of deep image classifiers. By leveraging the power of modern search engines, we deliberately gather data containing objects in common and uncommon settings in a wide range of locations, weather conditions, and time of day. We present a detailed analysis of the performance of various popular image classifiers on our dataset and demonstrate a clear drop in performance when classifying images in uncommon settings. By analyzing deep features of these models, we show that such errors can be due to the use of spurious features in model predictions. We believe that our dataset will aid researchers in understanding the inability of deep models to generalize well to uncommon settings and drive future work on improving their distributional robustness.

Recently, there has been an increasing interest in (supervised) learning with graph data, especially using graph neural networks. However, the development of meaningful benchmark datasets and standardized evaluation procedures is lagging, consequently hindering advancements in this area. To address this, we introduce the TUDataset for graph classification and regression. The collection consists of over 120 datasets of varying sizes from a wide range of applications. We provide Python-based data loaders, kernel and graph neural network baseline implementations, and evaluation tools. Here, we give an overview of the datasets, standardized evaluation procedures, and provide baseline experiments. All datasets are available at www.graphlearning.io. The experiments are fully reproducible from the code available at www.github.com/chrsmrrs/tudataset.

A great deal of effort has been devoted to reducing the risk of spurious scientific discoveries, from the use of sophisticated validation techniques, to deep statistical methods for controlling the false discovery rate in multiple hypothesis testing. However, there is a fundamental disconnect between the theoretical results and the practice of data analysis: the theory of statistical inference assumes a fixed collection of hypotheses to be tested, or learning algorithms to be applied, selected non-adaptively before the data are gathered, whereas in practice data is shared and reused with hypotheses and new analyses being generated on the basis of data exploration and the outcomes of previous analyses. In this work we initiate a principled study of how to guarantee the validity of statistical inference in adaptive data analysis. As an instance of this problem, we propose and investigate the question of estimating the expectations of m adaptively chosen functions on an unknown distribution given n random samples. We show that, surprisingly, there is a way to estimate an exponential in n number of expectations accurately even if the functions are chosen adaptively. This gives an exponential improvement over standard empirical estimators that are limited to a linear number of estimates. Our result follows from a general technique that counter-intuitively involves actively perturbing and coordinating the estimates, using techniques developed for privacy preservation. We give additional applications of this technique to our question.

Understanding geometric properties of natural language processing models' latent spaces allows the manipulation of these properties for improved performance on downstream tasks. One such property is the amount of data spread in a model's latent space, or how fully the available latent space is being used. In this work, we define data spread and demonstrate that the commonly used measures of data spread, Average Cosine Similarity and a partition function min/max ratio I(V), do not provide reliable metrics to compare the use of latent space across models. We propose and examine eight alternative measures of data spread, all but one of which improve over these current metrics when applied to seven synthetic data distributions. Of our proposed measures, we recommend one principal component-based measure and one entropy-based measure that provide reliable, relative measures of spread and can be used to compare models of different sizes and dimensionalities.

In recent years, the machine learning research community has benefited tremendously from the availability of openly accessible benchmark datasets. Clinical data are usually not openly available due to their highly confidential nature. This has hampered the development of reproducible and generalisable machine learning applications in health care. Here we introduce the Health Gym - a growing collection of highly realistic synthetic medical datasets that can be freely accessed to prototype, evaluate, and compare machine learning algorithms, with a specific focus on reinforcement learning. The three synthetic datasets described in this paper present patient cohorts with acute hypotension and sepsis in the intensive care unit, and people with human immunodeficiency virus (HIV) receiving antiretroviral therapy in ambulatory care. The datasets were created using a novel generative adversarial network (GAN). The distributions of variables, and correlations between variables and trends over time in the synthetic datasets mirror those in the real datasets. Furthermore, the risk of sensitive information disclosure associated with the public distribution of the synthetic datasets is estimated to be very low.

This research delves into the construction and utilization of synthetic datasets, specifically within the telematics sphere, leveraging OpenAI's powerful language model, ChatGPT. Synthetic datasets present an effective solution to challenges pertaining to data privacy, scarcity, and control over variables - characteristics that make them particularly valuable for research pursuits. The utility of these datasets, however, largely depends on their quality, measured through the lenses of diversity, relevance, and coherence. To illustrate this data creation process, a hands-on case study is conducted, focusing on the generation of a synthetic telematics dataset. The experiment involved an iterative guidance of ChatGPT, progressively refining prompts and culminating in the creation of a comprehensive dataset for a hypothetical urban planning scenario in Columbus, Ohio. Upon generation, the synthetic dataset was subjected to an evaluation, focusing on the previously identified quality parameters and employing descriptive statistics and visualization techniques for a thorough analysis. Despite synthetic datasets not serving as perfect replacements for actual world data, their potential in specific use-cases, when executed with precision, is significant. This research underscores the potential of AI models like ChatGPT in enhancing data availability for complex sectors like telematics, thus paving the way for a myriad of new research opportunities.

This paper studies Kernel density estimation for a high-dimensional distribution rho(x). Traditional approaches have focused on the limit of large number of data points n and fixed dimension d. We analyze instead the regime where both the number n of data points y_i and their dimensionality d grow with a fixed ratio alpha=(log n)/d. Our study reveals three distinct statistical regimes for the kernel-based estimate of the density hat rho_h^{D}(x)=1{n h^d}sum_{i=1}^n Kleft(x-y_i{h}right), depending on the bandwidth h: a classical regime for large bandwidth where the Central Limit Theorem (CLT) holds, which is akin to the one found in traditional approaches. Below a certain value of the bandwidth, h_{CLT}(alpha), we find that the CLT breaks down. The statistics of hat rho_h^{D}(x) for a fixed x drawn from rho(x) is given by a heavy-tailed distribution (an alpha-stable distribution). In particular below a value h_G(alpha), we find that hat rho_h^{D}(x) is governed by extreme value statistics: only a few points in the database matter and give the dominant contribution to the density estimator. We provide a detailed analysis for high-dimensional multivariate Gaussian data. We show that the optimal bandwidth threshold based on Kullback-Leibler divergence lies in the new statistical regime identified in this paper. Our findings reveal limitations of classical approaches, show the relevance of these new statistical regimes, and offer new insights for Kernel density estimation in high-dimensional settings.

Learning compatible representations enables the interchangeable use of semantic features as models are updated over time. This is particularly relevant in search and retrieval systems where it is crucial to avoid reprocessing of the gallery images with the updated model. While recent research has shown promising empirical evidence, there is still a lack of comprehensive theoretical understanding about learning compatible representations. In this paper, we demonstrate that the stationary representations learned by the d-Simplex fixed classifier optimally approximate compatibility representation according to the two inequality constraints of its formal definition. This not only establishes a solid foundation for future works in this line of research but also presents implications that can be exploited in practical learning scenarios. An exemplary application is the now-standard practice of downloading and fine-tuning new pre-trained models. Specifically, we show the strengths and critical issues of stationary representations in the case in which a model undergoing sequential fine-tuning is asynchronously replaced by downloading a better-performing model pre-trained elsewhere. Such a representation enables seamless delivery of retrieval service (i.e., no reprocessing of gallery images) and offers improved performance without operational disruptions during model replacement. Code available at: https://github.com/miccunifi/iamcl2r.

The ultimate goal of Dataset Distillation is to synthesize a small synthetic dataset such that a model trained on this synthetic set will perform equally well as a model trained on the full, real dataset. Until now, no method of Dataset Distillation has reached this completely lossless goal, in part due to the fact that previous methods only remain effective when the total number of synthetic samples is extremely small. Since only so much information can be contained in such a small number of samples, it seems that to achieve truly loss dataset distillation, we must develop a distillation method that remains effective as the size of the synthetic dataset grows. In this work, we present such an algorithm and elucidate why existing methods fail to generate larger, high-quality synthetic sets. Current state-of-the-art methods rely on trajectory-matching, or optimizing the synthetic data to induce similar long-term training dynamics as the real data. We empirically find that the training stage of the trajectories we choose to match (i.e., early or late) greatly affects the effectiveness of the distilled dataset. Specifically, early trajectories (where the teacher network learns easy patterns) work well for a low-cardinality synthetic set since there are fewer examples wherein to distribute the necessary information. Conversely, late trajectories (where the teacher network learns hard patterns) provide better signals for larger synthetic sets since there are now enough samples to represent the necessary complex patterns. Based on our findings, we propose to align the difficulty of the generated patterns with the size of the synthetic dataset. In doing so, we successfully scale trajectory matching-based methods to larger synthetic datasets, achieving lossless dataset distillation for the very first time. Code and distilled datasets are available at https://gzyaftermath.github.io/DATM.

We present a conceptual framework, datamodeling, for analyzing the behavior of a model class in terms of the training data. For any fixed "target" example x, training set S, and learning algorithm, a datamodel is a parameterized function 2^S to R that for any subset of S' subset S -- using only information about which examples of S are contained in S' -- predicts the outcome of training a model on S' and evaluating on x. Despite the potential complexity of the underlying process being approximated (e.g., end-to-end training and evaluation of deep neural networks), we show that even simple linear datamodels can successfully predict model outputs. We then demonstrate that datamodels give rise to a variety of applications, such as: accurately predicting the effect of dataset counterfactuals; identifying brittle predictions; finding semantically similar examples; quantifying train-test leakage; and embedding data into a well-behaved and feature-rich representation space. Data for this paper (including pre-computed datamodels as well as raw predictions from four million trained deep neural networks) is available at https://github.com/MadryLab/datamodels-data .

Real-world data tends to follow a long-tailed distribution, where the class imbalance results in dominance of the head classes during training. In this paper, we propose a frustratingly simple but effective step-wise learning framework to gradually enhance the capability of the model in detecting all categories of long-tailed datasets. Specifically, we build smooth-tail data where the long-tailed distribution of categories decays smoothly to correct the bias towards head classes. We pre-train a model on the whole long-tailed data to preserve discriminability between all categories. We then fine-tune the class-agnostic modules of the pre-trained model on the head class dominant replay data to get a head class expert model with improved decision boundaries from all categories. Finally, we train a unified model on the tail class dominant replay data while transferring knowledge from the head class expert model to ensure accurate detection of all categories. Extensive experiments on long-tailed datasets LVIS v0.5 and LVIS v1.0 demonstrate the superior performance of our method, where we can improve the AP with ResNet-50 backbone from 27.0% to 30.3% AP, and especially for the rare categories from 15.5% to 24.9% AP. Our best model using ResNet-101 backbone can achieve 30.7% AP, which suppresses all existing detectors using the same backbone.

Understanding the performance of machine learning models across diverse data distributions is critically important for reliable applications. Motivated by this, there is a growing focus on curating benchmark datasets that capture distribution shifts. While valuable, the existing benchmarks are limited in that many of them only contain a small number of shifts and they lack systematic annotation about what is different across different shifts. We present MetaShift--a collection of 12,868 sets of natural images across 410 classes--to address this challenge. We leverage the natural heterogeneity of Visual Genome and its annotations to construct MetaShift. The key construction idea is to cluster images using its metadata, which provides context for each image (e.g. "cats with cars" or "cats in bathroom") that represent distinct data distributions. MetaShift has two important benefits: first, it contains orders of magnitude more natural data shifts than previously available. Second, it provides explicit explanations of what is unique about each of its data sets and a distance score that measures the amount of distribution shift between any two of its data sets. We demonstrate the utility of MetaShift in benchmarking several recent proposals for training models to be robust to data shifts. We find that the simple empirical risk minimization performs the best when shifts are moderate and no method had a systematic advantage for large shifts. We also show how MetaShift can help to visualize conflicts between data subsets during model training.

Recent accelerations in multi-modal applications have been made possible with the plethora of image and text data available online. However, the scarcity of analogous data in the medical field, specifically in histopathology, has halted comparable progress. To enable similar representation learning for histopathology, we turn to YouTube, an untapped resource of videos, offering 1,087 hours of valuable educational histopathology videos from expert clinicians. From YouTube, we curate Quilt: a large-scale vision-language dataset consisting of 768,826 image and text pairs. Quilt was automatically curated using a mixture of models, including large language models, handcrafted algorithms, human knowledge databases, and automatic speech recognition. In comparison, the most comprehensive datasets curated for histopathology amass only around 200K samples. We combine Quilt with datasets from other sources, including Twitter, research papers, and the internet in general, to create an even larger dataset: Quilt-1M, with 1M paired image-text samples, marking it as the largest vision-language histopathology dataset to date. We demonstrate the value of Quilt-1M by fine-tuning a pre-trained CLIP model. Our model outperforms state-of-the-art models on both zero-shot and linear probing tasks for classifying new histopathology images across 13 diverse patch-level datasets of 8 different sub-pathologies and cross-modal retrieval tasks.

Data organized in tabular format is ubiquitous in real-world applications, and users often craft tables with biased feature definitions and flexibly set prediction targets of their interests. Thus, a rapid development of a robust, effective, dataset-versatile, user-friendly tabular prediction approach is highly desired. While Gradient Boosting Decision Trees (GBDTs) and existing deep neural networks (DNNs) have been extensively utilized by professional users, they present several challenges for casual users, particularly: (i) the dilemma of model selection due to their different dataset preferences, and (ii) the need for heavy hyperparameter searching, failing which their performances are deemed inadequate. In this paper, we delve into this question: Can we develop a deep learning model that serves as a "sure bet" solution for a wide range of tabular prediction tasks, while also being user-friendly for casual users? We delve into three key drawbacks of deep tabular models, encompassing: (P1) lack of rotational variance property, (P2) large data demand, and (P3) over-smooth solution. We propose ExcelFormer, addressing these challenges through a semi-permeable attention module that effectively constrains the influence of less informative features to break the DNNs' rotational invariance property (for P1), data augmentation approaches tailored for tabular data (for P2), and attentive feedforward network to boost the model fitting capability (for P3). These designs collectively make ExcelFormer a "sure bet" solution for diverse tabular datasets. Extensive and stratified experiments conducted on real-world datasets demonstrate that our model outperforms previous approaches across diverse tabular data prediction tasks, and this framework can be friendly to casual users, offering ease of use without the heavy hyperparameter tuning.

We propose a goodness-of-fit measure for probability densities modeling observations with varying dimensionality, such as text documents of differing lengths or variable-length sequences. The proposed measure is an instance of the kernel Stein discrepancy (KSD), which has been used to construct goodness-of-fit tests for unnormalized densities. The KSD is defined by its Stein operator: current operators used in testing apply to fixed-dimensional spaces. As our main contribution, we extend the KSD to the variable-dimension setting by identifying appropriate Stein operators, and propose a novel KSD goodness-of-fit test. As with the previous variants, the proposed KSD does not require the density to be normalized, allowing the evaluation of a large class of models. Our test is shown to perform well in practice on discrete sequential data benchmarks.

Recent work has shown the immense potential of synthetically generated datasets for training large language models (LLMs), especially for acquiring targeted skills. Current large-scale math instruction tuning datasets such as MetaMathQA (Yu et al., 2024) and MAmmoTH (Yue et al., 2024) are constructed using outputs from closed-source LLMs with commercially restrictive licenses. A key reason limiting the use of open-source LLMs in these data generation pipelines has been the wide gap between the mathematical skills of the best closed-source LLMs, such as GPT-4, and the best open-source LLMs. Building on the recent progress in open-source LLMs, our proposed prompting novelty, and some brute-force scaling, we construct OpenMathInstruct-1, a math instruction tuning dataset with 1.8M problem-solution pairs. The dataset is constructed by synthesizing code-interpreter solutions for GSM8K and MATH, two popular math reasoning benchmarks, using the recently released and permissively licensed Mixtral model. Our best model, OpenMath-CodeLlama-70B, trained on a subset of OpenMathInstruct-1, achieves a score of 84.6% on GSM8K and 50.7% on MATH, which is competitive with the best gpt-distilled models. We release our code, models, and the OpenMathInstruct-1 dataset under a commercially permissive license.

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.

Small sample sizes are common in many disciplines, which necessitates pooling roughly similar datasets across multiple institutions to study weak but relevant associations between images and disease outcomes. Such data often manifest shift/imbalance in covariates (i.e., secondary non-imaging data). Controlling for such nuisance variables is common within standard statistical analysis, but the ideas do not directly apply to overparameterized models. Consequently, recent work has shown how strategies from invariant representation learning provides a meaningful starting point, but the current repertoire of methods is limited to accounting for shifts/imbalances in just a couple of covariates at a time. In this paper, we show how viewing this problem from the perspective of Category theory provides a simple and effective solution that completely avoids elaborate multi-stage training pipelines that would otherwise be needed. We show the effectiveness of this approach via extensive experiments on real datasets. Further, we discuss how this style of formulation offers a unified perspective on at least 5+ distinct problem settings, from self-supervised learning to matching problems in 3D reconstruction.

It is impossible today to pretend that the practice of machine learning is compatible with the idea that training and testing data follow the same distribution. Several authors have recently used ensemble techniques to show how scenarios involving multiple data distributions are best served by representations that are both richer than those obtained by regularizing for the best in-distribution performance, and richer than those obtained under the influence of the implicit sparsity bias of common stochastic gradient procedures. This contribution investigates the use of very high dropout rates instead of ensembles to obtain such rich representations. Although training a deep network from scratch using such dropout rates is virtually impossible, fine-tuning a large pre-trained model under such conditions is not only possible but also achieves out-of-distribution performances that exceed those of both ensembles and weight averaging methods such as model soups. This result has practical significance because the importance of the fine-tuning scenario has considerably grown in recent years. This result also provides interesting insights on the nature of rich representations and on the intrinsically linear nature of fine-tuning a large network using a comparatively small dataset.

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

As machine learning tasks continue to evolve, the trend has been to gather larger datasets and train increasingly larger models. While this has led to advancements in accuracy, it has also escalated computational costs to unsustainable levels. Addressing this, our work aims to strike a delicate balance between computational efficiency and model accuracy, a persisting challenge in the field. We introduce a novel method that employs core subset selection for reweighting, effectively optimizing both computational time and model performance. By focusing on a strategically selected coreset, our approach offers a robust representation, as it efficiently minimizes the influence of outliers. The re-calibrated weights are then mapped back to and propagated across the entire dataset. Our experimental results substantiate the effectiveness of this approach, underscoring its potential as a scalable and precise solution for model training.

The word embedding space in neural models is skewed, and correcting this can improve task performance. We point out that most approaches for modeling, correcting, and measuring the symmetry of an embedding space implicitly assume that the word frequencies are uniform; in reality, word frequencies follow a highly non-uniform distribution, known as Zipf's law. Surprisingly, simply performing PCA whitening weighted by the empirical word frequency that follows Zipf's law significantly improves task performance, surpassing established baselines. From a theoretical perspective, both our approach and existing methods can be clearly categorized: word representations are distributed according to an exponential family with either uniform or Zipfian base measures. By adopting the latter approach, we can naturally emphasize informative low-frequency words in terms of their vector norm, which becomes evident from the information-geometric perspective, and in terms of the loss functions for imbalanced classification. Additionally, our theory corroborates that popular natural language processing methods, such as skip-gram negative sampling, WhiteningBERT, and headless language models, work well just because their word embeddings encode the empirical word frequency into the underlying probabilistic model.

This paper proposes a new large-scale dataset called "ToyADMOS2" for anomaly detection in machine operating sounds (ADMOS). As did for our previous ToyADMOS dataset, we collected a large number of operating sounds of miniature machines (toys) under normal and anomaly conditions by deliberately damaging them but extended with providing controlled depth of damages in anomaly samples. Since typical application scenarios of ADMOS often require robust performance under domain-shift conditions, the ToyADMOS2 dataset is designed for evaluating systems under such conditions. The released dataset consists of two sub-datasets for machine-condition inspection: fault diagnosis of machines with geometrically fixed tasks and fault diagnosis of machines with moving tasks. Domain shifts are represented by introducing several differences in operating conditions, such as the use of the same machine type but with different machine models and parts configurations, different operating speeds, microphone arrangements, etc. Each sub-dataset contains over 27 k samples of normal machine-operating sounds and over 8 k samples of anomalous sounds recorded with five to eight microphones. The dataset is freely available for download at https://github.com/nttcslab/ToyADMOS2-dataset and https://doi.org/10.5281/zenodo.4580270.

Data availability across domains often follows a long-tail distribution: a few domains have abundant data, while most face dat . a scarcity. This imbalance poses challenges in training language models uniformly across all domains. In our study, we focus on multilingual settings, where data sizes vary significantly between high- and low-resource languages. Common strategies to address this include upsampling low-resource languages (Temperature Sampling) or upweighting their loss (Scalarization). Although often considered equivalent, this assumption has not been proven, which motivates our study. Through both theoretical and empirical analysis, we identify the conditions under which these approaches are equivalent and when they diverge. Specifically, we demonstrate that these two methods are equivalent under full gradient descent, but this equivalence breaks down with stochastic gradient descent. Empirically, we observe that Temperature Sampling converges more quickly but is prone to overfitting. We argue that this faster convergence is likely due to the lower variance in gradient estimations, as shown theoretically. Based on these insights, we propose Cooldown, a strategy that reduces sampling temperature during training, accelerating convergence without overfitting to low-resource languages. Our method is competitive with existing data re-weighting and offers computational efficiency.

Many machine learning applications require operating on a spatially distributed dataset. Despite technological advances, privacy considerations and communication constraints may prevent gathering the entire dataset in a central unit. In this paper, we propose a distributed sampling scheme based on the alternating direction method of multipliers, which is commonly used in the optimization literature due to its fast convergence. In contrast to distributed optimization, distributed sampling allows for uncertainty quantification in Bayesian inference tasks. We provide both theoretical guarantees of our algorithm's convergence and experimental evidence of its superiority to the state-of-the-art. For our theoretical results, we use convex optimization tools to establish a fundamental inequality on the generated local sample iterates. This inequality enables us to show convergence of the distribution associated with these iterates to the underlying target distribution in Wasserstein distance. In simulation, we deploy our algorithm on linear and logistic regression tasks and illustrate its fast convergence compared to existing gradient-based methods.

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic processes to model approximate samples from these target densities. The main drawback of these approaches is that the training objective requires full trajectories to compute, resulting in sluggish credit assignment issues due to use of entire trajectories and a learning signal present only at the terminal time. In this work, we present Diffusion Generative Flow Samplers (DGFS), a sampling-based framework where the learning process can be tractably broken down into short partial trajectory segments, via parameterizing an additional "flow function". Our method takes inspiration from the theory developed for generative flow networks (GFlowNets), allowing us to make use of intermediate learning signals. Through various challenging experiments, we demonstrate that DGFS achieves more accurate estimates of the normalization constant than closely-related prior methods.

Learnable embedding vector is one of the most important applications in machine learning, and is widely used in various database-related domains. However, the high dimensionality of sparse data in recommendation tasks and the huge volume of corpus in retrieval-related tasks lead to a large memory consumption of the embedding table, which poses a great challenge to the training and deployment of models. Recent research has proposed various methods to compress the embeddings at the cost of a slight decrease in model quality or the introduction of other overheads. Nevertheless, the relative performance of these methods remains unclear. Existing experimental comparisons only cover a subset of these methods and focus on limited metrics. In this paper, we perform a comprehensive comparative analysis and experimental evaluation of embedding compression. We introduce a new taxonomy that categorizes these techniques based on their characteristics and methodologies, and further develop a modular benchmarking framework that integrates 14 representative methods. Under a uniform test environment, our benchmark fairly evaluates each approach, presents their strengths and weaknesses under different memory budgets, and recommends the best method based on the use case. In addition to providing useful guidelines, our study also uncovers the limitations of current methods and suggests potential directions for future research.

With the rapid development of deep learning, many deep learning-based approaches have made great achievements in object detection task. It is generally known that deep learning is a data-driven method. Data directly impact the performance of object detectors to some extent. Although existing datasets have included common objects in remote sensing images, they still have some limitations in terms of scale, categories, and images. Therefore, there is a strong requirement for establishing a large-scale benchmark on object detection in high-resolution remote sensing images. In this paper, we propose a novel benchmark dataset with more than 1 million instances and more than 15,000 images for Fine-grAined object recognItion in high-Resolution remote sensing imagery which is named as FAIR1M. All objects in the FAIR1M dataset are annotated with respect to 5 categories and 37 sub-categories by oriented bounding boxes. Compared with existing detection datasets dedicated to object detection, the FAIR1M dataset has 4 particular characteristics: (1) it is much larger than other existing object detection datasets both in terms of the quantity of instances and the quantity of images, (2) it provides more rich fine-grained category information for objects in remote sensing images, (3) it contains geographic information such as latitude, longitude and resolution, (4) it provides better image quality owing to a careful data cleaning procedure. To establish a baseline for fine-grained object recognition, we propose a novel evaluation method and benchmark fine-grained object detection tasks and a visual classification task using several State-Of-The-Art (SOTA) deep learning-based models on our FAIR1M dataset. Experimental results strongly indicate that the FAIR1M dataset is closer to practical application and it is considerably more challenging than existing datasets.

Given a sample of size N, it is often useful to select a subsample of smaller size n<N to be used for statistical estimation or learning. Such a data selection step is useful to reduce the requirements of data labeling and the computational complexity of learning. We assume to be given N unlabeled samples {{boldsymbol x}_i}_{ile N}, and to be given access to a `surrogate model' that can predict labels y_i better than random guessing. Our goal is to select a subset of the samples, to be denoted by {{boldsymbol x}_i}_{iin G}, of size |G|=n<N. We then acquire labels for this set and we use them to train a model via regularized empirical risk minimization. By using a mixture of numerical experiments on real and synthetic data, and mathematical derivations under low- and high- dimensional asymptotics, we show that: (i)~Data selection can be very effective, in particular beating training on the full sample in some cases; (ii)~Certain popular choices in data selection methods (e.g. unbiased reweighted subsampling, or influence function-based subsampling) can be substantially suboptimal.

Recent work has investigated the distributions of learned convolution filters through a large-scale study containing hundreds of heterogeneous image models. Surprisingly, on average, the distributions only show minor drifts in comparisons of various studied dimensions including the learned task, image domain, or dataset. However, among the studied image domains, medical imaging models appeared to show significant outliers through "spikey" distributions, and, therefore, learn clusters of highly specific filters different from other domains. Following this observation, we study the collected medical imaging models in more detail. We show that instead of fundamental differences, the outliers are due to specific processing in some architectures. Quite the contrary, for standardized architectures, we find that models trained on medical data do not significantly differ in their filter distributions from similar architectures trained on data from other domains. Our conclusions reinforce previous hypotheses stating that pre-training of imaging models can be done with any kind of diverse image data.

The proliferation of open-source scientific software for science and research presents opportunities and challenges. In this paper, we introduce the SciCat dataset -- a comprehensive collection of Free-Libre Open Source Software (FLOSS) projects, designed to address the need for a curated repository of scientific and research software. This collection is crucial for understanding the creation of scientific software and aiding in its development. To ensure extensive coverage, our approach involves selecting projects from a pool of 131 million deforked repositories from the World of Code data source. Subsequently, we analyze README.md files using OpenAI's advanced language models. Our classification focuses on software designed for scientific purposes, research-related projects, and research support software. The SciCat dataset aims to become an invaluable tool for researching science-related software, shedding light on emerging trends, prevalent practices, and challenges in the field of scientific software development. Furthermore, it includes data that can be linked to the World of Code, GitHub, and other platforms, providing a solid foundation for conducting comparative studies between scientific and non-scientific software.

Medical Image Analysis (MedIA) has become an essential tool in medicine and healthcare, aiding in disease diagnosis, prognosis, and treatment planning, and recent successes in deep learning (DL) have made significant contributions to its advances. However, DL models for MedIA remain challenging to deploy in real-world situations, failing for generalization under the distributional gap between training and testing samples, known as a distribution shift problem. Researchers have dedicated their efforts to developing various DL methods to adapt and perform robustly on unknown and out-of-distribution data distributions. This paper comprehensively reviews domain generalization studies specifically tailored for MedIA. We provide a holistic view of how domain generalization techniques interact within the broader MedIA system, going beyond methodologies to consider the operational implications on the entire MedIA workflow. Specifically, we categorize domain generalization methods into data-level, feature-level, model-level, and analysis-level methods. We show how those methods can be used in various stages of the MedIA workflow with DL equipped from data acquisition to model prediction and analysis. Furthermore, we include benchmark datasets and applications used to evaluate these approaches and analyze the strengths and weaknesses of various methods, unveiling future research opportunities.

In this paper we propose to study generalization of neural networks on small algorithmically generated datasets. In this setting, questions about data efficiency, memorization, generalization, and speed of learning can be studied in great detail. In some situations we show that neural networks learn through a process of "grokking" a pattern in the data, improving generalization performance from random chance level to perfect generalization, and that this improvement in generalization can happen well past the point of overfitting. We also study generalization as a function of dataset size and find that smaller datasets require increasing amounts of optimization for generalization. We argue that these datasets provide a fertile ground for studying a poorly understood aspect of deep learning: generalization of overparametrized neural networks beyond memorization of the finite training dataset.

Large training sets have become a cornerstone of machine learning and are the foundation for recent advances in language modeling and multimodal learning. While data curation for pre-training is often still ad-hoc, one common paradigm is to first collect a massive pool of data from the Web and then filter this candidate pool down to an actual training set via various heuristics. In this work, we study the problem of learning a data filtering network (DFN) for this second step of filtering a large uncurated dataset. Our key finding is that the quality of a network for filtering is distinct from its performance on downstream tasks: for instance, a model that performs well on ImageNet can yield worse training sets than a model with low ImageNet accuracy that is trained on a small amount of high-quality data. Based on our insights, we construct new data filtering networks that induce state-of-the-art image-text datasets. Specifically, our best performing dataset DFN-5B enables us to train state-of-the-art models for their compute budgets: among other improvements on a variety of tasks, a ViT-H trained on our dataset achieves 83.0% zero-shot transfer accuracy on ImageNet, out-performing models trained on other datasets such as LAION-2B, DataComp-1B, or OpenAI's WIT. In order to facilitate further research in dataset design, we also release a new 2 billion example dataset DFN-2B and show that high performance data filtering networks can be trained from scratch using only publicly available data.

Much research in machine learning involves finding appropriate inductive biases (e.g. convolutional neural networks, momentum-based optimizers, transformers) to promote generalization on tasks. However, quantification of the amount of inductive bias associated with these architectures and hyperparameters has been limited. We propose a novel method for efficiently computing the inductive bias required for generalization on a task with a fixed training data budget; formally, this corresponds to the amount of information required to specify well-generalizing models within a specific hypothesis space of models. Our approach involves modeling the loss distribution of random hypotheses drawn from a hypothesis space to estimate the required inductive bias for a task relative to these hypotheses. Unlike prior work, our method provides a direct estimate of inductive bias without using bounds and is applicable to diverse hypothesis spaces. Moreover, we derive approximation error bounds for our estimation approach in terms of the number of sampled hypotheses. Consistent with prior results, our empirical results demonstrate that higher dimensional tasks require greater inductive bias. We show that relative to other expressive model classes, neural networks as a model class encode large amounts of inductive bias. Furthermore, our measure quantifies the relative difference in inductive bias between different neural network architectures. Our proposed inductive bias metric provides an information-theoretic interpretation of the benefits of specific model architectures for certain tasks and provides a quantitative guide to developing tasks requiring greater inductive bias, thereby encouraging the development of more powerful inductive biases.

The difficulty of monitoring biodiversity at fine scales and over large areas limits ecological knowledge and conservation efforts. To fill this gap, Species Distribution Models (SDMs) predict species across space from spatially explicit features. Yet, they face the challenge of integrating the rich but heterogeneous data made available over the past decade, notably millions of opportunistic species observations and standardized surveys, as well as multi-modal remote sensing data. In light of that, we have designed and developed a new European-scale dataset for SDMs at high spatial resolution (10-50 m), including more than 10k species (i.e., most of the European flora). The dataset comprises 5M heterogeneous Presence-Only records and 90k exhaustive Presence-Absence survey records, all accompanied by diverse environmental rasters (e.g., elevation, human footprint, and soil) that are traditionally used in SDMs. In addition, it provides Sentinel-2 RGB and NIR satellite images with 10 m resolution, a 20-year time-series of climatic variables, and satellite time-series from the Landsat program. In addition to the data, we provide an openly accessible SDM benchmark (hosted on Kaggle), which has already attracted an active community and a set of strong baselines for single predictor/modality and multimodal approaches. All resources, e.g., the dataset, pre-trained models, and baseline methods (in the form of notebooks), are available on Kaggle, allowing one to start with our dataset literally with two mouse clicks.

Reliable probability estimation is of crucial importance in many real-world applications where there is inherent (aleatoric) uncertainty. Probability-estimation models are trained on observed outcomes (e.g. whether it has rained or not, or whether a patient has died or not), because the ground-truth probabilities of the events of interest are typically unknown. The problem is therefore analogous to binary classification, with the difference that the objective is to estimate probabilities rather than predicting the specific outcome. This work investigates probability estimation from high-dimensional data using deep neural networks. There exist several methods to improve the probabilities generated by these models but they mostly focus on model (epistemic) uncertainty. For problems with inherent uncertainty, it is challenging to evaluate performance without access to ground-truth probabilities. To address this, we build a synthetic dataset to study and compare different computable metrics. We evaluate existing methods on the synthetic data as well as on three real-world probability estimation tasks, all of which involve inherent uncertainty: precipitation forecasting from radar images, predicting cancer patient survival from histopathology images, and predicting car crashes from dashcam videos. We also give a theoretical analysis of a model for high-dimensional probability estimation which reproduces several of the phenomena evinced in our experiments. Finally, we propose a new method for probability estimation using neural networks, which modifies the training process to promote output probabilities that are consistent with empirical probabilities computed from the data. The method outperforms existing approaches on most metrics on the simulated as well as real-world data.

Prediction sets have recently been shown to be a promising strategy for quantifying the uncertainty of deep neural networks in a way that provides theoretical guarantees. However, existing techniques have largely targeted settings where the space of labels is simple, so prediction sets can be arbitrary subsets of labels. For structured prediction problems where the space of labels is exponential in size, even prediction sets containing a small fraction of all labels can be exponentially large. In the context of code generation, we propose a solution that considers a restricted set of prediction sets that can compactly be represented as partial programs, which are programs with portions replaced with holes. Given a trained code generation model, our algorithm leverages a programming language's abstract syntax tree to generate a set of programs such that the correct program is in the set with high-confidence. Valuable applications of our algorithm include a Codex-style code generator with holes in uncertain parts of the generated code, which provides a partial program with theoretical guarantees. We evaluate our approach on PICARD (a T5 model for SQL semantic parsing) and Codex (a GPT model for over a dozen programming languages, including Python), demonstrating that our approach generates compact PAC prediction sets. This is the first research contribution that generates PAC prediction sets for generative code models.

We study the data selection problem, whose aim is to select a small representative subset of data that can be used to efficiently train a machine learning model. We present a new data selection approach based on k-means clustering and sensitivity sampling. Assuming access to an embedding representation of the data with respect to which the model loss is H\"older continuous, our approach provably allows selecting a set of ``typical'' k + 1/varepsilon^2 elements whose average loss corresponds to the average loss of the whole dataset, up to a multiplicative (1pmvarepsilon) factor and an additive varepsilon lambda Phi_k, where Phi_k represents the k-means cost for the input embeddings and lambda is the H\"older constant. We furthermore demonstrate the performance and scalability of our approach on fine-tuning foundation models and show that it outperforms state-of-the-art methods. We also show how it can be applied on linear regression, leading to a new sampling strategy that surprisingly matches the performances of leverage score sampling, while being conceptually simpler and more scalable.

In large scale machine learning, random sampling is a popular way to approximate datasets by a small representative subset of examples. In particular, sensitivity sampling is an intensely studied technique which provides provable guarantees on the quality of approximation, while reducing the number of examples to the product of the VC dimension d and the total sensitivity mathfrak S in remarkably general settings. However, guarantees going beyond this general bound of mathfrak S d are known in perhaps only one setting, for ell_2 subspace embeddings, despite intense study of sensitivity sampling in prior work. In this work, we show the first bounds for sensitivity sampling for ell_p subspace embeddings for pneq 2 that improve over the general mathfrak S d bound, achieving a bound of roughly mathfrak S^{2/p} for 1leq p<2 and mathfrak S^{2-2/p} for 2<p<infty. For 1leq p<2, we show that this bound is tight, in the sense that there exist matrices for which mathfrak S^{2/p} samples is necessary. Furthermore, our techniques yield further new results in the study of sampling algorithms, showing that the root leverage score sampling algorithm achieves a bound of roughly d for 1leq p<2, and that a combination of leverage score and sensitivity sampling achieves an improved bound of roughly d^{2/p}mathfrak S^{2-4/p} for 2<p<infty. Our sensitivity sampling results yield the best known sample complexity for a wide class of structured matrices that have small ell_p sensitivity.

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

In this technical report, we introduce SEED-Data-Edit: a unique hybrid dataset for instruction-guided image editing, which aims to facilitate image manipulation using open-form language. SEED-Data-Edit is composed of three distinct types of data: (1) High-quality editing data produced by an automated pipeline, ensuring a substantial volume of diverse image editing pairs. (2) Real-world scenario data collected from the internet, which captures the intricacies of user intentions for promoting the practical application of image editing in the real world. (3) High-precision multi-turn editing data annotated by humans, which involves multiple rounds of edits for simulating iterative editing processes. The combination of these diverse data sources makes SEED-Data-Edit a comprehensive and versatile dataset for training language-guided image editing model. We fine-tune a pretrained Multimodal Large Language Model (MLLM) that unifies comprehension and generation with SEED-Data-Edit. The instruction tuned model demonstrates promising results, indicating the potential and effectiveness of SEED-Data-Edit in advancing the field of instructional image editing. The datasets are released in https://huggingface.co/datasets/AILab-CVC/SEED-Data-Edit.

As data becomes the fuel driving technological and economic growth, a fundamental challenge is how to quantify the value of data in algorithmic predictions and decisions. For example, in healthcare and consumer markets, it has been suggested that individuals should be compensated for the data that they generate, but it is not clear what is an equitable valuation for individual data. In this work, we develop a principled framework to address data valuation in the context of supervised machine learning. Given a learning algorithm trained on n data points to produce a predictor, we propose data Shapley as a metric to quantify the value of each training datum to the predictor performance. Data Shapley value uniquely satisfies several natural properties of equitable data valuation. We develop Monte Carlo and gradient-based methods to efficiently estimate data Shapley values in practical settings where complex learning algorithms, including neural networks, are trained on large datasets. In addition to being equitable, extensive experiments across biomedical, image and synthetic data demonstrate that data Shapley has several other benefits: 1) it is more powerful than the popular leave-one-out or leverage score in providing insight on what data is more valuable for a given learning task; 2) low Shapley value data effectively capture outliers and corruptions; 3) high Shapley value data inform what type of new data to acquire to improve the predictor.

In high dimension, low sample size (HDLSS) settings, classifiers based on Euclidean distances like the nearest neighbor classifier and the average distance classifier perform quite poorly if differences between locations of the underlying populations get masked by scale differences. To rectify this problem, several modifications of these classifiers have been proposed in the literature. However, existing methods are confined to location and scale differences only, and often fail to discriminate among populations differing outside of the first two moments. In this article, we propose some simple transformations of these classifiers resulting into improved performance even when the underlying populations have the same location and scale. We further propose a generalization of these classifiers based on the idea of grouping of variables. The high-dimensional behavior of the proposed classifiers is studied theoretically. Numerical experiments with a variety of simulated examples as well as an extensive analysis of real data sets exhibit advantages of the proposed methods.

Selecting a suitable training dataset is crucial for both general-domain (e.g., GPT-3) and domain-specific (e.g., Codex) language models (LMs). We formalize this data selection problem as selecting a subset of a large raw unlabeled dataset to match a desired target distribution, given some unlabeled target samples. Due to the large scale and dimensionality of the raw text data, existing methods use simple heuristics to select data that are similar to a high-quality reference corpus (e.g., Wikipedia), or leverage experts to manually curate data. Instead, we extend the classic importance resampling approach used in low-dimensions for LM data selection. Crucially, we work in a reduced feature space to make importance weight estimation tractable over the space of text. To determine an appropriate feature space, we first show that KL reduction, a data metric that measures the proximity between selected data and the target in a feature space, has high correlation with average accuracy on 8 downstream tasks (r=0.89) when computed with simple n-gram features. From this observation, we present Data Selection with Importance Resampling (DSIR), an efficient and scalable algorithm that estimates importance weights in a reduced feature space (e.g., n-gram features in our instantiation) and selects data with importance resampling according to these weights. When training general-domain models (target is Wikipedia + books), DSIR improves over random selection and heuristic filtering baselines by 2--2.5% on the GLUE benchmark. When performing continued pretraining towards a specific domain, DSIR performs comparably to expert curated data across 8 target distributions.

We present a new challenging dataset, CPPE - 5 (Medical Personal Protective Equipment), with the goal to allow the study of subordinate categorization of medical personal protective equipments, which is not possible with other popular data sets that focus on broad-level categories (such as PASCAL VOC, ImageNet, Microsoft COCO, OpenImages, etc). To make it easy for models trained on this dataset to be used in practical scenarios in complex scenes, our dataset mainly contains images that show complex scenes with several objects in each scene in their natural context. The image collection for this dataset focuses on: obtaining as many non-iconic images as possible and making sure all the images are real-life images, unlike other existing datasets in this area. Our dataset includes 5 object categories (coveralls, face shields, gloves, masks, and goggles), and each image is annotated with a set of bounding boxes and positive labels. We present a detailed analysis of the dataset in comparison to other popular broad category datasets as well as datasets focusing on personal protective equipments, we also find that at present there exist no such publicly available datasets. Finally, we also analyze performance and compare model complexities on baseline and state-of-the-art models for bounding box results. Our code, data, and trained models are available at https://git.io/cppe5-dataset.

Face detection is one of the most studied topics in the computer vision community. Much of the progresses have been made by the availability of face detection benchmark datasets. We show that there is a gap between current face detection performance and the real world requirements. To facilitate future face detection research, we introduce the WIDER FACE dataset, which is 10 times larger than existing datasets. The dataset contains rich annotations, including occlusions, poses, event categories, and face bounding boxes. Faces in the proposed dataset are extremely challenging due to large variations in scale, pose and occlusion, as shown in Fig. 1. Furthermore, we show that WIDER FACE dataset is an effective training source for face detection. We benchmark several representative detection systems, providing an overview of state-of-the-art performance and propose a solution to deal with large scale variation. Finally, we discuss common failure cases that worth to be further investigated. Dataset can be downloaded at: mmlab.ie.cuhk.edu.hk/projects/WIDERFace

Deep learning in general domains has constantly been extended to domain-specific tasks requiring the recognition of fine-grained characteristics. However, real-world applications for fine-grained tasks suffer from two challenges: a high reliance on expert knowledge for annotation and necessity of a versatile model for various downstream tasks in a specific domain (e.g., prediction of categories, bounding boxes, or pixel-wise annotations). Fortunately, the recent self-supervised learning (SSL) is a promising approach to pretrain a model without annotations, serving as an effective initialization for any downstream tasks. Since SSL does not rely on the presence of annotation, in general, it utilizes the large-scale unlabeled dataset, referred to as an open-set. In this sense, we introduce a novel Open-Set Self-Supervised Learning problem under the assumption that a large-scale unlabeled open-set is available, as well as the fine-grained target dataset, during a pretraining phase. In our problem setup, it is crucial to consider the distribution mismatch between the open-set and target dataset. Hence, we propose SimCore algorithm to sample a coreset, the subset of an open-set that has a minimum distance to the target dataset in the latent space. We demonstrate that SimCore significantly improves representation learning performance through extensive experimental settings, including eleven fine-grained datasets and seven open-sets in various downstream tasks.

Neural architecture search (NAS) has shown great promise in designing state-of-the-art (SOTA) models that are both accurate and efficient. Recently, two-stage NAS, e.g. BigNAS, decouples the model training and searching process and achieves remarkable search efficiency and accuracy. Two-stage NAS requires sampling from the search space during training, which directly impacts the accuracy of the final searched models. While uniform sampling has been widely used for its simplicity, it is agnostic of the model performance Pareto front, which is the main focus in the search process, and thus, misses opportunities to further improve the model accuracy. In this work, we propose AttentiveNAS that focuses on improving the sampling strategy to achieve better performance Pareto. We also propose algorithms to efficiently and effectively identify the networks on the Pareto during training. Without extra re-training or post-processing, we can simultaneously obtain a large number of networks across a wide range of FLOPs. Our discovered model family, AttentiveNAS models, achieves top-1 accuracy from 77.3% to 80.7% on ImageNet, and outperforms SOTA models, including BigNAS and Once-for-All networks. We also achieve ImageNet accuracy of 80.1% with only 491 MFLOPs. Our training code and pretrained models are available at https://github.com/facebookresearch/AttentiveNAS.

The recent breakthroughs in natural language processing for model pretraining on large quantities of data have opened the way for similar foundation models in computer vision. These models could greatly simplify the use of images in any system by producing all-purpose visual features, i.e., features that work across image distributions and tasks without finetuning. This work shows that existing pretraining methods, especially self-supervised methods, can produce such features if trained on enough curated data from diverse sources. We revisit existing approaches and combine different techniques to scale our pretraining in terms of data and model size. Most of the technical contributions aim at accelerating and stabilizing the training at scale. In terms of data, we propose an automatic pipeline to build a dedicated, diverse, and curated image dataset instead of uncurated data, as typically done in the self-supervised literature. In terms of models, we train a ViT model (Dosovitskiy et al., 2020) with 1B parameters and distill it into a series of smaller models that surpass the best available all-purpose features, OpenCLIP (Ilharco et al., 2021) on most of the benchmarks at image and pixel levels.

Existing public face datasets are strongly biased toward Caucasian faces, and other races (e.g., Latino) are significantly underrepresented. This can lead to inconsistent model accuracy, limit the applicability of face analytic systems to non-White race groups, and adversely affect research findings based on such skewed data. To mitigate the race bias in these datasets, we construct a novel face image dataset, containing 108,501 images, with an emphasis of balanced race composition in the dataset. We define 7 race groups: White, Black, Indian, East Asian, Southeast Asian, Middle East, and Latino. Images were collected from the YFCC-100M Flickr dataset and labeled with race, gender, and age groups. Evaluations were performed on existing face attribute datasets as well as novel image datasets to measure generalization performance. We find that the model trained from our dataset is substantially more accurate on novel datasets and the accuracy is consistent between race and gender groups.

Developing accurate machine learning models for oncology requires large-scale, high-quality multimodal datasets. However, creating such datasets remains challenging due to the complexity and heterogeneity of medical data. To address this challenge, we introduce HoneyBee, a scalable modular framework for building multimodal oncology datasets that leverages foundational models to generate representative embeddings. HoneyBee integrates various data modalities, including clinical records, imaging data, and patient outcomes. It employs data preprocessing techniques and transformer-based architectures to generate embeddings that capture the essential features and relationships within the raw medical data. The generated embeddings are stored in a structured format using Hugging Face datasets and PyTorch dataloaders for accessibility. Vector databases enable efficient querying and retrieval for machine learning applications. We demonstrate the effectiveness of HoneyBee through experiments assessing the quality and representativeness of the embeddings. The framework is designed to be extensible to other medical domains and aims to accelerate oncology research by providing high-quality, machine learning-ready datasets. HoneyBee is an ongoing open-source effort, and the code, datasets, and models are available at the project repository.

Datasets are foundational to many breakthroughs in modern artificial intelligence. Many recent achievements in the space of natural language processing (NLP) can be attributed to the finetuning of pre-trained models on a diverse set of tasks that enables a large language model (LLM) to respond to instructions. Instruction fine-tuning (IFT) requires specifically constructed and annotated datasets. However, existing datasets are almost all in the English language. In this work, our primary goal is to bridge the language gap by building a human-curated instruction-following dataset spanning 65 languages. We worked with fluent speakers of languages from around the world to collect natural instances of instructions and completions. Furthermore, we create the most extensive multilingual collection to date, comprising 513 million instances through templating and translating existing datasets across 114 languages. In total, we contribute four key resources: we develop and open-source the Aya Annotation Platform, the Aya Dataset, the Aya Collection, and the Aya Evaluation Suite. The Aya initiative also serves as a valuable case study in participatory research, involving collaborators from 119 countries. We see this as a valuable framework for future research collaborations that aim to bridge gaps in resources.

While scaling laws provide a reliable methodology for predicting train loss across compute scales for a single data distribution, less is known about how these predictions should change as we change the distribution. In this paper, we derive a strategy for predicting one loss from another and apply it to predict across different pre-training datasets and from pre-training data to downstream task data. Our predictions extrapolate well even at 20x the largest FLOP budget used to fit the curves. More precisely, we find that there are simple shifted power law relationships between (1) the train losses of two models trained on two separate datasets when the models are paired by training compute (train-to-train), (2) the train loss and the test loss on any downstream distribution for a single model (train-to-test), and (3) the test losses of two models trained on two separate train datasets (test-to-test). The results hold up for pre-training datasets that differ substantially (some are entirely code and others have no code at all) and across a variety of downstream tasks. Finally, we find that in some settings these shifted power law relationships can yield more accurate predictions than extrapolating single-dataset scaling laws.

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

The issue of copyright in generative models, particularly diffusion models, has become a prominent concern in recent years. Previous studies have predominantly focused on copyright violation at the image level, where generative models replicate copyrighted images entirely. Furthermore, these earlier studies have examined copyright infringements mainly using prompts that are semantically similar to target topics. However, copyright infringement can be more nuanced than mere replication of whole images and can be triggered with prompts that are less directly related to copyright topics. In our work, we tackle the limitations of previous studies by delving into partial copyright infringement, which treats parts of images as copyrighted content, using prompts that are considerably different from copyrighted topics. We develop a data generation pipeline that facilitates the creation of datasets for copyright research in diffusion models. Using our pipeline, we create datasets containing copyright infringement samples for different diffusion models. We conduct evaluations on generated data under various criteria. Our results show the prevalence of generating copyright-infringing content across a range of diffusion models, including the latest Stable Diffusion XL.

The growing capability and accessibility of machine learning has led to its application to many real-world domains and data about people. Despite the benefits algorithmic systems may bring, models can reflect, inject, or exacerbate implicit and explicit societal biases into their outputs, disadvantaging certain demographic subgroups. Discovering which biases a machine learning model has introduced is a great challenge, due to the numerous definitions of fairness and the large number of potentially impacted subgroups. We present FairVis, a mixed-initiative visual analytics system that integrates a novel subgroup discovery technique for users to audit the fairness of machine learning models. Through FairVis, users can apply domain knowledge to generate and investigate known subgroups, and explore suggested and similar subgroups. FairVis' coordinated views enable users to explore a high-level overview of subgroup performance and subsequently drill down into detailed investigation of specific subgroups. We show how FairVis helps to discover biases in two real datasets used in predicting income and recidivism. As a visual analytics system devoted to discovering bias in machine learning, FairVis demonstrates how interactive visualization may help data scientists and the general public understand and create more equitable algorithmic systems.

We show that feedforward neural networks with ReLU activation generalize on low complexity data, suitably defined. Given i.i.d. data generated from a simple programming language, the minimum description length (MDL) feedforward neural network which interpolates the data generalizes with high probability. We define this simple programming language, along with a notion of description length of such networks. We provide several examples on basic computational tasks, such as checking primality of a natural number, and more. For primality testing, our theorem shows the following. Suppose that we draw an i.i.d. sample of Theta(N^{delta}ln N) numbers uniformly at random from 1 to N, where deltain (0,1). For each number x_i, let y_i = 1 if x_i is a prime and 0 if it is not. Then with high probability, the MDL network fitted to this data accurately answers whether a newly drawn number between 1 and N is a prime or not, with test error leq O(N^{-delta}). Note that the network is not designed to detect primes; minimum description learning discovers a network which does so.

We study the task of agnostically learning halfspaces under the Gaussian distribution. Specifically, given labeled examples (x,y) from an unknown distribution on R^n times { pm 1}, whose marginal distribution on x is the standard Gaussian and the labels y can be arbitrary, the goal is to output a hypothesis with 0-1 loss OPT+epsilon, where OPT is the 0-1 loss of the best-fitting halfspace. We prove a near-optimal computational hardness result for this task, under the widely believed sub-exponential time hardness of the Learning with Errors (LWE) problem. Prior hardness results are either qualitatively suboptimal or apply to restricted families of algorithms. Our techniques extend to yield near-optimal lower bounds for related problems, including ReLU regression.

Data pruning algorithms are commonly used to reduce the memory and computational cost of the optimization process. Recent empirical results reveal that random data pruning remains a strong baseline and outperforms most existing data pruning methods in the high compression regime, i.e., where a fraction of 30% or less of the data is kept. This regime has recently attracted a lot of interest as a result of the role of data pruning in improving the so-called neural scaling laws; in [Sorscher et al.], the authors showed the need for high-quality data pruning algorithms in order to beat the sample power law. In this work, we focus on score-based data pruning algorithms and show theoretically and empirically why such algorithms fail in the high compression regime. We demonstrate ``No Free Lunch" theorems for data pruning and present calibration protocols that enhance the performance of existing pruning algorithms in this high compression regime using randomization.

The automatic detection of hate speech online is an active research area in NLP. Most of the studies to date are based on social media datasets that contribute to the creation of hate speech detection models trained on them. However, data creation processes contain their own biases, and models inherently learn from these dataset-specific biases. In this paper, we perform a large-scale cross-dataset comparison where we fine-tune language models on different hate speech detection datasets. This analysis shows how some datasets are more generalisable than others when used as training data. Crucially, our experiments show how combining hate speech detection datasets can contribute to the development of robust hate speech detection models. This robustness holds even when controlling by data size and compared with the best individual datasets.

Vision-language models (VLMs) are trained for thousands of GPU hours on carefully curated web datasets. In recent times, data curation has gained prominence with several works developing strategies to retain 'high-quality' subsets of 'raw' scraped data. For instance, the LAION public dataset retained only 10% of the total crawled data. However, these strategies are typically developed agnostic of the available compute for training. In this paper, we first demonstrate that making filtering decisions independent of training compute is often suboptimal: the limited high-quality data rapidly loses its utility when repeated, eventually requiring the inclusion of 'unseen' but 'lower-quality' data. To address this quality-quantity tradeoff (QQT), we introduce neural scaling laws that account for the non-homogeneous nature of web data, an angle ignored in existing literature. Our scaling laws (i) characterize the differing 'utility' of various quality subsets of web data; (ii) account for how utility diminishes for a data point at its 'nth' repetition; and (iii) formulate the mutual interaction of various data pools when combined, enabling the estimation of model performance on a combination of multiple data pools without ever jointly training on them. Our key message is that data curation cannot be agnostic of the total compute that a model will be trained for. Our scaling laws allow us to curate the best possible pool for achieving top performance on Datacomp at various compute budgets, carving out a pareto-frontier for data curation. Code is available at https://github.com/locuslab/scaling_laws_data_filtering.

Transfer learning with a small amount of target data is an effective and common approach to adapting a pre-trained model to distribution shifts. In some situations, target data labels may be expensive to obtain, so we may only have access to a limited number of target data points. To make the most of a very small target dataset, we propose a lightweight, sample-efficient approach that learns a diverse set of features and adapts to a target distribution by interpolating these features. Our approach, Project and Probe (Pro^2), first learns a linear projection that maps a pre-trained embedding onto orthogonal directions while being predictive of labels in the source dataset. The goal of this step is to learn a variety of predictive features, so that at least some of them remain useful after distribution shift. Pro^2 then learns a linear classifier on top of these projected features using a small target dataset. Theoretically, we find that Pro^2 results in more sample-efficient generalization by inducing a favorable bias-variance tradeoff. Our experiments on four datasets, with multiple distribution shift settings for each, show that Pro^2 improves performance by 5-15% when given limited target data compared to prior methods such as standard linear probing.

In statistics, independent, identically distributed random samples do not carry a natural ordering, and their statistics are typically invariant with respect to permutations of their order. Thus, an n-sample in a space M can be considered as an element of the quotient space of M^n modulo the permutation group. The present paper takes this definition of sample space and the related concept of orbit types as a starting point for developing a geometric perspective on statistics. We aim at deriving a general mathematical setting for studying the behavior of empirical and population means in spaces ranging from smooth Riemannian manifolds to general stratified spaces. We fully describe the orbifold and path-metric structure of the sample space when M is a manifold or path-metric space, respectively. These results are non-trivial even when M is Euclidean. We show that the infinite sample space exists in a Gromov-Hausdorff type sense and coincides with the Wasserstein space of probability distributions on M. We exhibit Fr\'echet means and k-means as metric projections onto 1-skeleta or k-skeleta in Wasserstein space, and we define a new and more general notion of polymeans. This geometric characterization via metric projections applies equally to sample and population means, and we use it to establish asymptotic properties of polymeans such as consistency and asymptotic normality.

Understanding the performance of machine learning (ML) models across diverse data distributions is critically important for reliable applications. Despite recent empirical studies positing a near-perfect linear correlation between in-distribution (ID) and out-of-distribution (OOD) accuracies, we empirically demonstrate that this correlation is more nuanced under subpopulation shifts. Through rigorous experimentation and analysis across a variety of datasets, models, and training epochs, we demonstrate that OOD performance often has a nonlinear correlation with ID performance in subpopulation shifts. Our findings, which contrast previous studies that have posited a linear correlation in model performance during distribution shifts, reveal a "moon shape" correlation (parabolic uptrend curve) between the test performance on the majority subpopulation and the minority subpopulation. This non-trivial nonlinear correlation holds across model architectures, hyperparameters, training durations, and the imbalance between subpopulations. Furthermore, we found that the nonlinearity of this "moon shape" is causally influenced by the degree of spurious correlations in the training data. Our controlled experiments show that stronger spurious correlation in the training data creates more nonlinear performance correlation. We provide complementary experimental and theoretical analyses for this phenomenon, and discuss its implications for ML reliability and fairness. Our work highlights the importance of understanding the nonlinear effects of model improvement on performance in different subpopulations, and has the potential to inform the development of more equitable and responsible machine learning models.

The rise in internet usage has led to the generation of massive amounts of data, resulting in the adoption of various supervised and semi-supervised machine learning algorithms, which can effectively utilize the colossal amount of data to train models. However, before deploying these models in the real world, these must be strictly evaluated on performance measures like worst-case recall and satisfy constraints such as fairness. We find that current state-of-the-art empirical techniques offer sub-optimal performance on these practical, non-decomposable performance objectives. On the other hand, the theoretical techniques necessitate training a new model from scratch for each performance objective. To bridge the gap, we propose SelMix, a selective mixup-based inexpensive fine-tuning technique for pre-trained models, to optimize for the desired objective. The core idea of our framework is to determine a sampling distribution to perform a mixup of features between samples from particular classes such that it optimizes the given objective. We comprehensively evaluate our technique against the existing empirical and theoretically principled methods on standard benchmark datasets for imbalanced classification. We find that proposed SelMix fine-tuning significantly improves the performance for various practical non-decomposable objectives across benchmarks.

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.

Large datasets of paired images and text have become increasingly popular for learning generic representations for vision and vision-and-language tasks. Such datasets have been built by querying search engines or collecting HTML alt-text -- since web data is noisy, they require complex filtering pipelines to maintain quality. We explore alternate data sources to collect high quality data with minimal filtering. We introduce RedCaps -- a large-scale dataset of 12M image-text pairs collected from Reddit. Images and captions from Reddit depict and describe a wide variety of objects and scenes. We collect data from a manually curated set of subreddits, which give coarse image labels and allow us to steer the dataset composition without labeling individual instances. We show that captioning models trained on RedCaps produce rich and varied captions preferred by humans, and learn visual representations that transfer to many downstream tasks.

We study the notion of a generalization bound being uniformly tight, meaning that the difference between the bound and the population loss is small for all learning algorithms and all population distributions. Numerous generalization bounds have been proposed in the literature as potential explanations for the ability of neural networks to generalize in the overparameterized setting. However, in their paper ``Fantastic Generalization Measures and Where to Find Them,'' Jiang et al. (2020) examine more than a dozen generalization bounds, and show empirically that none of them are uniformly tight. This raises the question of whether uniformly-tight generalization bounds are at all possible in the overparameterized setting. We consider two types of generalization bounds: (1) bounds that may depend on the training set and the learned hypothesis (e.g., margin bounds). We prove mathematically that no such bound can be uniformly tight in the overparameterized setting; (2) bounds that may in addition also depend on the learning algorithm (e.g., stability bounds). For these bounds, we show a trade-off between the algorithm's performance and the bound's tightness. Namely, if the algorithm achieves good accuracy on certain distributions, then no generalization bound can be uniformly tight for it in the overparameterized setting. We explain how these formal results can, in our view, inform research on generalization bounds for neural networks, while stressing that other interpretations of these results are also possible.

When selecting data for training large-scale models, standard practice is to filter for examples that match human notions of data quality. Such filtering yields qualitatively clean datapoints that intuitively should improve model behavior. However, in practice the opposite can often happen: we find that selecting according to similarity with "high quality" data sources may not increase (and can even hurt) performance compared to randomly selecting data. To develop better methods for selecting data, we start by framing dataset selection as an optimization problem that we can directly solve for: given target tasks, a learning algorithm, and candidate data, select the subset that maximizes model performance. This framework thus avoids handpicked notions of data quality, and instead models explicitly how the learning process uses train datapoints to predict on the target tasks. Our resulting method greatly improves language model (LM) performance on both pre-specified tasks and previously unseen tasks. Specifically, choosing target tasks representative of standard LM problems and evaluating on diverse held-out benchmarks, our selected datasets provide a 2x compute multiplier over baseline methods.

We resolve an open problem of Hanneke on the subject of universally consistent online learning with non-i.i.d. processes and unbounded losses. The notion of an optimistically universal learning rule was defined by Hanneke in an effort to study learning theory under minimal assumptions. A given learning rule is said to be optimistically universal if it achieves a low long-run average loss whenever the data generating process makes this goal achievable by some learning rule. Hanneke posed as an open problem whether, for every unbounded loss, the family of processes admitting universal learning are precisely those having a finite number of distinct values almost surely. In this paper, we completely resolve this problem, showing that this is indeed the case. As a consequence, this also offers a dramatically simpler formulation of an optimistically universal learning rule for any unbounded loss: namely, the simple memorization rule already suffices. Our proof relies on constructing random measurable partitions of the instance space and could be of independent interest for solving other open questions. We extend the results to the non-realizable setting thereby providing an optimistically universal Bayes consistent learning rule.

This paper introduces the human-curated PandasPlotBench dataset, designed to evaluate language models' effectiveness as assistants in visual data exploration. Our benchmark focuses on generating code for visualizing tabular data - such as a Pandas DataFrame - based on natural language instructions, complementing current evaluation tools and expanding their scope. The dataset includes 175 unique tasks. Our experiments assess several leading Large Language Models (LLMs) across three visualization libraries: Matplotlib, Seaborn, and Plotly. We show that the shortening of tasks has a minimal effect on plotting capabilities, allowing for the user interface that accommodates concise user input without sacrificing functionality or accuracy. Another of our findings reveals that while LLMs perform well with popular libraries like Matplotlib and Seaborn, challenges persist with Plotly, highlighting areas for improvement. We hope that the modular design of our benchmark will broaden the current studies on generating visualizations. Our benchmark is available online: https://huggingface.co/datasets/JetBrains-Research/plot_bench. The code for running the benchmark is also available: https://github.com/JetBrains-Research/PandasPlotBench.

Diffusion models are a class of probabilistic generative models that have been widely used as a prior for image processing tasks like text conditional generation and inpainting. We demonstrate that these models can be adapted to make predictions and provide uncertainty quantification for chaotic dynamical systems. In these applications, diffusion models can implicitly represent knowledge about outliers and extreme events; however, querying that knowledge through conditional sampling or measuring probabilities is surprisingly difficult. Existing methods for conditional sampling at inference time seek mainly to enforce the constraints, which is insufficient to match the statistics of the distribution or compute the probability of the chosen events. To achieve these ends, optimally one would use the conditional score function, but its computation is typically intractable. In this work, we develop a probabilistic approximation scheme for the conditional score function which provably converges to the true distribution as the noise level decreases. With this scheme we are able to sample conditionally on nonlinear userdefined events at inference time, and matches data statistics even when sampling from the tails of the distribution.

Instruction tuning is critical for adapting large language models (LLMs) to downstream tasks, and recent studies have demonstrated that small amounts of human-curated data can outperform larger datasets, challenging traditional data scaling laws. While LLM-based data quality rating systems offer a cost-effective alternative to human annotation, they often suffer from inaccuracies and biases, even in powerful models like GPT-4. In this work, we introduce DS2, a Diversity-aware Score curation method for Data Selection. By systematically modeling error patterns through a score transition matrix, DS2 corrects LLM-based scores and promotes diversity in the selected data samples. Our approach shows that a curated subset (just 3.3% of the original dataset) outperforms full-scale datasets (300k samples) across various machine-alignment benchmarks, and matches or surpasses human-aligned datasets such as LIMA with the same sample size (1k samples). These findings challenge conventional data scaling assumptions, highlighting that redundant, low-quality samples can degrade performance and reaffirming that "more can be less."

Evaluation in machine learning is usually informed by past choices, for example which datasets or metrics to use. This standardization enables the comparison on equal footing using leaderboards, but the evaluation choices become sub-optimal as better alternatives arise. This problem is especially pertinent in natural language generation which requires ever-improving suites of datasets, metrics, and human evaluation to make definitive claims. To make following best model evaluation practices easier, we introduce GEMv2. The new version of the Generation, Evaluation, and Metrics Benchmark introduces a modular infrastructure for dataset, model, and metric developers to benefit from each others work. GEMv2 supports 40 documented datasets in 51 languages. Models for all datasets can be evaluated online and our interactive data card creation and rendering tools make it easier to add new datasets to the living benchmark.

Simulation-free methods for training continuous-time generative models construct probability paths that go between noise distributions and individual data samples. Recent works, such as Flow Matching, derived paths that are optimal for each data sample. However, these algorithms rely on independent data and noise samples, and do not exploit underlying structure in the data distribution for constructing probability paths. We propose Multisample Flow Matching, a more general framework that uses non-trivial couplings between data and noise samples while satisfying the correct marginal constraints. At very small overhead costs, this generalization allows us to (i) reduce gradient variance during training, (ii) obtain straighter flows for the learned vector field, which allows us to generate high-quality samples using fewer function evaluations, and (iii) obtain transport maps with lower cost in high dimensions, which has applications beyond generative modeling. Importantly, we do so in a completely simulation-free manner with a simple minimization objective. We show that our proposed methods improve sample consistency on downsampled ImageNet data sets, and lead to better low-cost sample generation.

Addressing imbalanced or long-tailed data is a major challenge in visual recognition tasks due to disparities between training and testing distributions and issues with data noise. We propose the Wrapped Cauchy Distributed Angular Softmax (WCDAS), a novel softmax function that incorporates data-wise Gaussian-based kernels into the angular correlation between feature representations and classifier weights, effectively mitigating noise and sparse sampling concerns. The class-wise distribution of angular representation becomes a sum of these kernels. Our theoretical analysis reveals that the wrapped Cauchy distribution excels the Gaussian distribution in approximating mixed distributions. Additionally, WCDAS uses trainable concentration parameters to dynamically adjust the compactness and margin of each class. Empirical results confirm label-aware behavior in these parameters and demonstrate WCDAS's superiority over other state-of-the-art softmax-based methods in handling long-tailed visual recognition across multiple benchmark datasets. The code is public available.

Existing private synthetic data generation algorithms are agnostic to downstream tasks. However, end users may have specific requirements that the synthetic data must satisfy. Failure to meet these requirements could significantly reduce the utility of the data for downstream use. We introduce a post-processing technique that improves the utility of the synthetic data with respect to measures selected by the end user, while preserving strong privacy guarantees and dataset quality. Our technique involves resampling from the synthetic data to filter out samples that do not meet the selected utility measures, using an efficient stochastic first-order algorithm to find optimal resampling weights. Through comprehensive numerical experiments, we demonstrate that our approach consistently improves the utility of synthetic data across multiple benchmark datasets and state-of-the-art synthetic data generation algorithms.

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.

We have now entered the era of trillion parameter machine learning models trained on billion-sized datasets scraped from the internet. The rise of these gargantuan datasets has given rise to formidable bodies of critical work that has called for caution while generating these large datasets. These address concerns surrounding the dubious curation practices used to generate these datasets, the sordid quality of alt-text data available on the world wide web, the problematic content of the CommonCrawl dataset often used as a source for training large language models, and the entrenched biases in large-scale visio-linguistic models (such as OpenAI's CLIP model) trained on opaque datasets (WebImageText). In the backdrop of these specific calls of caution, we examine the recently released LAION-400M dataset, which is a CLIP-filtered dataset of Image-Alt-text pairs parsed from the Common-Crawl dataset. We found that the dataset contains, troublesome and explicit images and text pairs of rape, pornography, malign stereotypes, racist and ethnic slurs, and other extremely problematic content. We outline numerous implications, concerns and downstream harms regarding the current state of large scale datasets while raising open questions for various stakeholders including the AI community, regulators, policy makers and data subjects.

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an invariant sufficient statistic of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.

As one of the most successful generative models, diffusion models have demonstrated remarkable efficacy in synthesizing high-quality images. These models learn the underlying high-dimensional data distribution in an unsupervised manner. Despite their success, diffusion models are highly data-driven and prone to inheriting the imbalances and biases present in real-world data. Some studies have attempted to address these issues by designing text prompts for known biases or using bias labels to construct unbiased data. While these methods have shown improved results, real-world scenarios often contain various unknown biases, and obtaining bias labels is particularly challenging. In this paper, we emphasize the necessity of mitigating bias in pre-trained diffusion models without relying on auxiliary bias annotations. To tackle this problem, we propose a framework, InvDiff, which aims to learn invariant semantic information for diffusion guidance. Specifically, we propose identifying underlying biases in the training data and designing a novel debiasing training objective. Then, we employ a lightweight trainable module that automatically preserves invariant semantic information and uses it to guide the diffusion model's sampling process toward unbiased outcomes simultaneously. Notably, we only need to learn a small number of parameters in the lightweight learnable module without altering the pre-trained diffusion model. Furthermore, we provide a theoretical guarantee that the implementation of InvDiff is equivalent to reducing the error upper bound of generalization. Extensive experimental results on three publicly available benchmarks demonstrate that InvDiff effectively reduces biases while maintaining the quality of image generation. Our code is available at https://github.com/Hundredl/InvDiff.

Supervised learning datasets may contain multiple cues that explain the training set equally well, i.e., learning any of them would lead to the correct predictions on the training data. However, many of them can be spurious, i.e., lose their predictive power under a distribution shift and consequently fail to generalize to out-of-distribution (OOD) data. Recently developed "diversification" methods (Lee et al., 2023; Pagliardini et al., 2023) approach this problem by finding multiple diverse hypotheses that rely on different features. This paper aims to study this class of methods and identify the key components contributing to their OOD generalization abilities. We show that (1) diversification methods are highly sensitive to the distribution of the unlabeled data used for diversification and can underperform significantly when away from a method-specific sweet spot. (2) Diversification alone is insufficient for OOD generalization. The choice of the used learning algorithm, e.g., the model's architecture and pretraining, is crucial. In standard experiments (classification on Waterbirds and Office-Home datasets), using the second-best choice leads to an up to 20\% absolute drop in accuracy. (3) The optimal choice of learning algorithm depends on the unlabeled data and vice versa i.e. they are co-dependent. (4) Finally, we show that, in practice, the above pitfalls cannot be alleviated by increasing the number of diverse hypotheses, the major feature of diversification methods. These findings provide a clearer understanding of the critical design factors influencing the OOD generalization abilities of diversification methods. They can guide practitioners in how to use the existing methods best and guide researchers in developing new, better ones.

Natural disasters, such as floods, tornadoes, or wildfires, are increasingly pervasive as the Earth undergoes global warming. It is difficult to predict when and where an incident will occur, so timely emergency response is critical to saving the lives of those endangered by destructive events. Fortunately, technology can play a role in these situations. Social media posts can be used as a low-latency data source to understand the progression and aftermath of a disaster, yet parsing this data is tedious without automated methods. Prior work has mostly focused on text-based filtering, yet image and video-based filtering remains largely unexplored. In this work, we present the Incidents1M Dataset, a large-scale multi-label dataset which contains 977,088 images, with 43 incident and 49 place categories. We provide details of the dataset construction, statistics and potential biases; introduce and train a model for incident detection; and perform image-filtering experiments on millions of images on Flickr and Twitter. We also present some applications on incident analysis to encourage and enable future work in computer vision for humanitarian aid. Code, data, and models are available at http://incidentsdataset.csail.mit.edu.

Training classifiers is difficult with severe class imbalance, but many rare events are the culmination of a sequence with much more common intermediate outcomes. For example, in online marketing a user first sees an ad, then may click on it, and finally may make a purchase; estimating the probability of purchases is difficult because of their rarity. We show both theoretically and through data experiments that the more abundant data in earlier steps may be leveraged to improve estimation of probabilities of rare events. We present PRESTO, a relaxation of the proportional odds model for ordinal regression. Instead of estimating weights for one separating hyperplane that is shifted by separate intercepts for each of the estimated Bayes decision boundaries between adjacent pairs of categorical responses, we estimate separate weights for each of these transitions. We impose an L1 penalty on the differences between weights for the same feature in adjacent weight vectors in order to shrink towards the proportional odds model. We prove that PRESTO consistently estimates the decision boundary weights under a sparsity assumption. Synthetic and real data experiments show that our method can estimate rare probabilities in this setting better than both logistic regression on the rare category, which fails to borrow strength from more abundant categories, and the proportional odds model, which is too inflexible.

We propose ParaSCI, the first large-scale paraphrase dataset in the scientific field, including 33,981 paraphrase pairs from ACL (ParaSCI-ACL) and 316,063 pairs from arXiv (ParaSCI-arXiv). Digging into characteristics and common patterns of scientific papers, we construct this dataset though intra-paper and inter-paper methods, such as collecting citations to the same paper or aggregating definitions by scientific terms. To take advantage of sentences paraphrased partially, we put up PDBERT as a general paraphrase discovering method. The major advantages of paraphrases in ParaSCI lie in the prominent length and textual diversity, which is complementary to existing paraphrase datasets. ParaSCI obtains satisfactory results on human evaluation and downstream tasks, especially long paraphrase generation.

Hyperbolic embeddings offer excellent quality with few dimensions when embedding hierarchical data structures like synonym or type hierarchies. Given a tree, we give a combinatorial construction that embeds the tree in hyperbolic space with arbitrarily low distortion without using optimization. On WordNet, our combinatorial embedding obtains a mean-average-precision of 0.989 with only two dimensions, while Nickel et al.'s recent construction obtains 0.87 using 200 dimensions. We provide upper and lower bounds that allow us to characterize the precision-dimensionality tradeoff inherent in any hyperbolic embedding. To embed general metric spaces, we propose a hyperbolic generalization of multidimensional scaling (h-MDS). We show how to perform exact recovery of hyperbolic points from distances, provide a perturbation analysis, and give a recovery result that allows us to reduce dimensionality. The h-MDS approach offers consistently low distortion even with few dimensions across several datasets. Finally, we extract lessons from the algorithms and theory above to design a PyTorch-based implementation that can handle incomplete information and is scalable.

Traditional fixed test sets fall short in evaluating open-ended capabilities of foundation models. To address this, we propose ONEBench(OpeN-Ended Benchmarking), a new testing paradigm that consolidates individual evaluation datasets into a unified, ever-expanding sample pool. ONEBench allows users to generate custom, open-ended evaluation benchmarks from this pool, corresponding to specific capabilities of interest. By aggregating samples across test sets, ONEBench enables the assessment of diverse capabilities beyond those covered by the original test sets, while mitigating overfitting and dataset bias. Most importantly, it frames model evaluation as a collective process of selecting and aggregating sample-level tests. The shift from task-specific benchmarks to ONEBench introduces two challenges: (1)heterogeneity and (2)incompleteness. Heterogeneity refers to the aggregation over diverse metrics, while incompleteness describes comparing models evaluated on different data subsets. To address these challenges, we explore algorithms to aggregate sparse measurements into reliable model scores. Our aggregation algorithm ensures identifiability(asymptotically recovering ground-truth scores) and rapid convergence, enabling accurate model ranking with less data. On homogenous datasets, we show our aggregation algorithm provides rankings that highly correlate with those produced by average scores. We also demonstrate robustness to ~95% of measurements missing, reducing evaluation cost by up to 20x with little-to-no change in model rankings. We introduce ONEBench-LLM for language models and ONEBench-LMM for vision-language models, unifying evaluations across these domains. Overall, we present a technique for open-ended evaluation, which can aggregate over incomplete, heterogeneous sample-level measurements to continually grow a benchmark alongside the rapidly developing foundation models.

We introduce MOMENT, a family of open-source foundation models for general-purpose time-series analysis. Pre-training large models on time-series data is challenging due to (1) the absence of a large and cohesive public time-series repository, and (2) diverse time-series characteristics which make multi-dataset training onerous. Additionally, (3) experimental benchmarks to evaluate these models, especially in scenarios with limited resources, time, and supervision, are still in their nascent stages. To address these challenges, we compile a large and diverse collection of public time-series, called the Time-series Pile, and systematically tackle time-series-specific challenges to unlock large-scale multi-dataset pre-training. Finally, we build on recent work to design a benchmark to evaluate time-series foundation models on diverse tasks and datasets in limited supervision settings. Experiments on this benchmark demonstrate the effectiveness of our pre-trained models with minimal data and task-specific fine-tuning. Finally, we present several interesting empirical observations about large pre-trained time-series models. Our code is available anonymously at anonymous.4open.science/r/BETT-773F/.

Datasets are central to training machine learning (ML) models. The ML community has recently made significant improvements to data stewardship and documentation practices across the model development life cycle. However, the act of deprecating, or deleting, datasets has been largely overlooked, and there are currently no standardized approaches for structuring this stage of the dataset life cycle. In this paper, we study the practice of dataset deprecation in ML, identify several cases of datasets that continued to circulate despite having been deprecated, and describe the different technical, legal, ethical, and organizational issues raised by such continuations. We then propose a Dataset Deprecation Framework that includes considerations of risk, mitigation of impact, appeal mechanisms, timeline, post-deprecation protocols, and publication checks that can be adapted and implemented by the ML community. Finally, we propose creating a centralized, sustainable repository system for archiving datasets, tracking dataset modifications or deprecations, and facilitating practices of care and stewardship that can be integrated into research and publication processes.

The field of Machine Learning, a subset of Artificial Intelligence, has led to remarkable advancements in many areas, including medicine. Machine Learning algorithms require large datasets to train computer models successfully. Although there are medical image datasets available, more image datasets are needed from a variety of medical entities, especially cancer pathology. Even more scarce are ML-ready image datasets. To address this need, we created an image dataset (LC25000) with 25,000 color images in 5 classes. Each class contains 5,000 images of the following histologic entities: colon adenocarcinoma, benign colonic tissue, lung adenocarcinoma, lung squamous cell carcinoma, and benign lung tissue. All images are de-identified, HIPAA compliant, validated, and freely available for download to AI researchers.

Datasets drive vision progress, yet existing driving datasets are impoverished in terms of visual content and supported tasks to study multitask learning for autonomous driving. Researchers are usually constrained to study a small set of problems on one dataset, while real-world computer vision applications require performing tasks of various complexities. We construct BDD100K, the largest driving video dataset with 100K videos and 10 tasks to evaluate the exciting progress of image recognition algorithms on autonomous driving. The dataset possesses geographic, environmental, and weather diversity, which is useful for training models that are less likely to be surprised by new conditions. Based on this diverse dataset, we build a benchmark for heterogeneous multitask learning and study how to solve the tasks together. Our experiments show that special training strategies are needed for existing models to perform such heterogeneous tasks. BDD100K opens the door for future studies in this important venue.

In order to fully harness the potential of machine learning, it is crucial to establish a system that renders the field more accessible and less daunting for individuals who may not possess a comprehensive understanding of its intricacies. The paper describes the design of a system that integrates AutoML, XAI, and synthetic data generation to provide a great UX design for users. The system allows users to navigate and harness the power of machine learning while abstracting its complexities and providing high usability. The paper proposes two novel classifiers, Logistic Regression Forest and Support Vector Tree, for enhanced model performance, achieving 96\% accuracy on a diabetes dataset and 93\% on a survey dataset. The paper also introduces a model-dependent local interpreter called MEDLEY and evaluates its interpretation against LIME, Greedy, and Parzen. Additionally, the paper introduces LLM-based synthetic data generation, library-based data generation, and enhancing the original dataset with GAN. The findings on synthetic data suggest that enhancing the original dataset with GAN is the most reliable way to generate synthetic data, as evidenced by KS tests, standard deviation, and feature importance. The authors also found that GAN works best for quantitative datasets.

We consider dense, associative neural-networks trained by a teacher (i.e., with supervision) and we investigate their computational capabilities analytically, via statistical-mechanics of spin glasses, and numerically, via Monte Carlo simulations. In particular, we obtain a phase diagram summarizing their performance as a function of the control parameters such as quality and quantity of the training dataset, network storage and noise, that is valid in the limit of large network size and structureless datasets: these networks may work in a ultra-storage regime (where they can handle a huge amount of patterns, if compared with shallow neural networks) or in a ultra-detection regime (where they can perform pattern recognition at prohibitive signal-to-noise ratios, if compared with shallow neural networks). Guided by the random theory as a reference framework, we also test numerically learning, storing and retrieval capabilities shown by these networks on structured datasets as MNist and Fashion MNist. As technical remarks, from the analytic side, we implement large deviations and stability analysis within Guerra's interpolation to tackle the not-Gaussian distributions involved in the post-synaptic potentials while, from the computational counterpart, we insert Plefka approximation in the Monte Carlo scheme, to speed up the evaluation of the synaptic tensors, overall obtaining a novel and broad approach to investigate supervised learning in neural networks, beyond the shallow limit, in general.

Recent work on mini-batch consistency (MBC) for set functions has brought attention to the need for sequentially processing and aggregating chunks of a partitioned set while guaranteeing the same output for all partitions. However, existing constraints on MBC architectures lead to models with limited expressive power. Additionally, prior work has not addressed how to deal with large sets during training when the full set gradient is required. To address these issues, we propose a Universally MBC (UMBC) class of set functions which can be used in conjunction with arbitrary non-MBC components while still satisfying MBC, enabling a wider range of function classes to be used in MBC settings. Furthermore, we propose an efficient MBC training algorithm which gives an unbiased approximation of the full set gradient and has a constant memory overhead for any set size for both train- and test-time. We conduct extensive experiments including image completion, text classification, unsupervised clustering, and cancer detection on high-resolution images to verify the efficiency and efficacy of our scalable set encoding framework. Our code is available at github.com/jeffwillette/umbc

Recent claims about the impressive abilities of large language models (LLMs) are often supported by evaluating publicly available benchmarks. Since LLMs train on wide swaths of the internet, this practice raises concerns of data contamination, i.e., evaluating on examples that are explicitly or implicitly included in the training data. Data contamination remains notoriously challenging to measure and mitigate, even with partial attempts like controlled experimentation of training data, canary strings, or embedding similarities. In this work, we conduct the first thorough longitudinal analysis of data contamination in LLMs by using the natural experiment of training cutoffs in GPT models to look at benchmarks released over time. Specifically, we consider two code/mathematical problem-solving datasets, Codeforces and Project Euler, and find statistically significant trends among LLM pass rate vs. GitHub popularity and release date that provide strong evidence of contamination. By open-sourcing our dataset, raw results, and evaluation framework, our work paves the way for rigorous analyses of data contamination in modern models. We conclude with a discussion of best practices and future steps for publicly releasing benchmarks in the age of LLMs that train on webscale data.

Background: Open-Source Pre-Trained Models (PTMs) and datasets provide extensive resources for various Machine Learning (ML) tasks, yet these resources lack a classification tailored to Software Engineering (SE) needs. Aims: We apply an SE-oriented classification to PTMs and datasets on a popular open-source ML repository, Hugging Face (HF), and analyze the evolution of PTMs over time. Method: We conducted a repository mining study. We started with a systematically gathered database of PTMs and datasets from the HF API. Our selection was refined by analyzing model and dataset cards and metadata, such as tags, and confirming SE relevance using Gemini 1.5 Pro. All analyses are replicable, with a publicly accessible replication package. Results: The most common SE task among PTMs and datasets is code generation, with a primary focus on software development and limited attention to software management. Popular PTMs and datasets mainly target software development. Among ML tasks, text generation is the most common in SE PTMs and datasets. There has been a marked increase in PTMs for SE since 2023 Q2. Conclusions: This study underscores the need for broader task coverage to enhance the integration of ML within SE practices.

The advancement of function-calling agent models requires diverse, reliable, and high-quality datasets. This paper presents APIGen, an automated data generation pipeline designed to synthesize verifiable high-quality datasets for function-calling applications. We leverage APIGen and collect 3,673 executable APIs across 21 different categories to generate diverse function-calling datasets in a scalable and structured manner. Each data in our dataset is verified through three hierarchical stages: format checking, actual function executions, and semantic verification, ensuring its reliability and correctness. We demonstrate that models trained with our curated datasets, even with only 7B parameters, can achieve state-of-the-art performance on the Berkeley Function-Calling Benchmark, outperforming multiple GPT-4 models. Moreover, our 1B model achieves exceptional performance, surpassing GPT-3.5-Turbo and Claude-3 Haiku. We release a dataset containing 60,000 high-quality entries, aiming to advance the field of function-calling agent domains. The dataset is available on Huggingface: https://huggingface.co/datasets/Salesforce/xlam-function-calling-60k and the project homepage: https://apigen-pipeline.github.io/

Unsupervised learning of probabilistic models is a central yet challenging problem in machine learning. Specifically, designing models with tractable learning, sampling, inference and evaluation is crucial in solving this task. We extend the space of such models using real-valued non-volume preserving (real NVP) transformations, a set of powerful invertible and learnable transformations, resulting in an unsupervised learning algorithm with exact log-likelihood computation, exact sampling, exact inference of latent variables, and an interpretable latent space. We demonstrate its ability to model natural images on four datasets through sampling, log-likelihood evaluation and latent variable manipulations.

This paper presents the design, implementation, and evaluation of the PyTorch distributed data parallel module. PyTorch is a widely-adopted scientific computing package used in deep learning research and applications. Recent advances in deep learning argue for the value of large datasets and large models, which necessitates the ability to scale out model training to more computational resources. Data parallelism has emerged as a popular solution for distributed training thanks to its straightforward principle and broad applicability. In general, the technique of distributed data parallelism replicates the model on every computational resource to generate gradients independently and then communicates those gradients at each iteration to keep model replicas consistent. Despite the conceptual simplicity of the technique, the subtle dependencies between computation and communication make it non-trivial to optimize the distributed training efficiency. As of v1.5, PyTorch natively provides several techniques to accelerate distributed data parallel, including bucketing gradients, overlapping computation with communication, and skipping gradient synchronization. Evaluations show that, when configured appropriately, the PyTorch distributed data parallel module attains near-linear scalability using 256 GPUs.

The Sliced-Wasserstein distance (SW) is a computationally efficient and theoretically grounded alternative to the Wasserstein distance. Yet, the literature on its statistical properties -- or, more accurately, its generalization properties -- with respect to the distribution of slices, beyond the uniform measure, is scarce. To bring new contributions to this line of research, we leverage the PAC-Bayesian theory and a central observation that SW may be interpreted as an average risk, the quantity PAC-Bayesian bounds have been designed to characterize. We provide three types of results: i) PAC-Bayesian generalization bounds that hold on what we refer as adaptive Sliced-Wasserstein distances, i.e. SW defined with respect to arbitrary distributions of slices (among which data-dependent distributions), ii) a principled procedure to learn the distribution of slices that yields maximally discriminative SW, by optimizing our theoretical bounds, and iii) empirical illustrations of our theoretical findings.

Diffusion models achieve state-of-the-art performance in various generation tasks. However, their theoretical foundations fall far behind. This paper studies score approximation, estimation, and distribution recovery of diffusion models, when data are supported on an unknown low-dimensional linear subspace. Our result provides sample complexity bounds for distribution estimation using diffusion models. We show that with a properly chosen neural network architecture, the score function can be both accurately approximated and efficiently estimated. Furthermore, the generated distribution based on the estimated score function captures the data geometric structures and converges to a close vicinity of the data distribution. The convergence rate depends on the subspace dimension, indicating that diffusion models can circumvent the curse of data ambient dimensionality.

An approach to the construction of classifiers from imbalanced datasets is described. A dataset is imbalanced if the classification categories are not approximately equally represented. Often real-world data sets are predominately composed of "normal" examples with only a small percentage of "abnormal" or "interesting" examples. It is also the case that the cost of misclassifying an abnormal (interesting) example as a normal example is often much higher than the cost of the reverse error. Under-sampling of the majority (normal) class has been proposed as a good means of increasing the sensitivity of a classifier to the minority class. This paper shows that a combination of our method of over-sampling the minority (abnormal) class and under-sampling the majority (normal) class can achieve better classifier performance (in ROC space) than only under-sampling the majority class. This paper also shows that a combination of our method of over-sampling the minority class and under-sampling the majority class can achieve better classifier performance (in ROC space) than varying the loss ratios in Ripper or class priors in Naive Bayes. Our method of over-sampling the minority class involves creating synthetic minority class examples. Experiments are performed using C4.5, Ripper and a Naive Bayes classifier. The method is evaluated using the area under the Receiver Operating Characteristic curve (AUC) and the ROC convex hull strategy.

We study the problem of visualizing large-scale and high-dimensional data in a low-dimensional (typically 2D or 3D) space. Much success has been reported recently by techniques that first compute a similarity structure of the data points and then project them into a low-dimensional space with the structure preserved. These two steps suffer from considerable computational costs, preventing the state-of-the-art methods such as the t-SNE from scaling to large-scale and high-dimensional data (e.g., millions of data points and hundreds of dimensions). We propose the LargeVis, a technique that first constructs an accurately approximated K-nearest neighbor graph from the data and then layouts the graph in the low-dimensional space. Comparing to t-SNE, LargeVis significantly reduces the computational cost of the graph construction step and employs a principled probabilistic model for the visualization step, the objective of which can be effectively optimized through asynchronous stochastic gradient descent with a linear time complexity. The whole procedure thus easily scales to millions of high-dimensional data points. Experimental results on real-world data sets demonstrate that the LargeVis outperforms the state-of-the-art methods in both efficiency and effectiveness. The hyper-parameters of LargeVis are also much more stable over different data sets.

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

Neural architecture search (NAS) has shown great success in the automatic design of deep neural networks (DNNs). However, the best way to use data to search network architectures is still unclear and under exploration. Previous work has analyzed the necessity of having ground-truth labels in NAS and inspired broad interest. In this work, we take a further step to question whether real data is necessary for NAS to be effective. The answer to this question is important for applications with limited amount of accessible data, and can help people improve NAS by leveraging the extra flexibility of data generation. To explore if NAS needs real data, we construct three types of unreal datasets using: 1) randomly labeled real images; 2) generated images and labels; and 3) generated Gaussian noise with random labels. These datasets facilitate to analyze the generalization and expressivity of the searched architectures. We study the performance of architectures searched on these constructed datasets using popular differentiable NAS methods. Extensive experiments on CIFAR, ImageNet and CheXpert show that the searched architectures can achieve promising results compared with those derived from the conventional NAS pipeline with real labeled data, suggesting the feasibility of performing NAS with unreal data.

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.

Typical neural network trainings have substantial variance in test-set performance between repeated runs, impeding hyperparameter comparison and training reproducibility. We present the following results towards understanding this variation. (1) Despite having significant variance on their test-sets, we demonstrate that standard CIFAR-10 and ImageNet trainings have very little variance in their performance on the test-distributions from which those test-sets are sampled, suggesting that variance is less of a practical issue than previously thought. (2) We present a simplifying statistical assumption which closely approximates the structure of the test-set accuracy distribution. (3) We argue that test-set variance is inevitable in the following two senses. First, we show that variance is largely caused by high sensitivity of the training process to initial conditions, rather than by specific sources of randomness like the data order and augmentations. Second, we prove that variance is unavoidable given the observation that ensembles of trained networks are well-calibrated. (4) We conduct preliminary studies of distribution-shift, fine-tuning, data augmentation and learning rate through the lens of variance between runs.

We introduce MedMNIST v2, a large-scale MNIST-like dataset collection of standardized biomedical images, including 12 datasets for 2D and 6 datasets for 3D. All images are pre-processed into a small size of 28x28 (2D) or 28x28x28 (3D) with the corresponding classification labels so that no background knowledge is required for users. Covering primary data modalities in biomedical images, MedMNIST v2 is designed to perform classification on lightweight 2D and 3D images with various dataset scales (from 100 to 100,000) and diverse tasks (binary/multi-class, ordinal regression, and multi-label). The resulting dataset, consisting of 708,069 2D images and 10,214 3D images in total, could support numerous research / educational purposes in biomedical image analysis, computer vision, and machine learning. We benchmark several baseline methods on MedMNIST v2, including 2D / 3D neural networks and open-source / commercial AutoML tools. The data and code are publicly available at https://medmnist.com/.

The proliferation of pretrained models, as a result of advancements in pretraining techniques, has led to the emergence of a vast zoo of publicly available models. Effectively utilizing these resources to obtain models with robust out-of-distribution generalization capabilities for downstream tasks has become a crucial area of research. Previous research has primarily focused on identifying the most powerful models within the model zoo, neglecting to fully leverage the diverse inductive biases contained within. This paper argues that the knowledge contained in weaker models is valuable and presents a method for leveraging the diversity within the model zoo to improve out-of-distribution generalization capabilities. Specifically, we investigate the behaviors of various pretrained models across different domains of downstream tasks by characterizing the variations in their encoded representations in terms of two dimensions: diversity shift and correlation shift. This characterization enables us to propose a new algorithm for integrating diverse pretrained models, not limited to the strongest models, in order to achieve enhanced out-of-distribution generalization performance. Our proposed method demonstrates state-of-the-art empirical results on a variety of datasets, thus validating the benefits of utilizing diverse knowledge.

Traditionally, data selection has been studied in settings where all samples from prospective sources are fully revealed to a machine learning developer. However, in practical data exchange scenarios, data providers often reveal only a limited subset of samples before an acquisition decision is made. Recently, there have been efforts to fit scaling laws that predict model performance at any size and data source composition using the limited available samples. However, these scaling functions are black-box, computationally expensive to fit, highly susceptible to overfitting, or/and difficult to optimize for data selection. This paper proposes a framework called <projektor>, which predicts model performance and supports data selection decisions based on partial samples of prospective data sources. Our approach distinguishes itself from existing work by introducing a novel *two-stage* performance inference process. In the first stage, we leverage the Optimal Transport distance to predict the model's performance for any data mixture ratio within the range of disclosed data sizes. In the second stage, we extrapolate the performance to larger undisclosed data sizes based on a novel parameter-free mapping technique inspired by neural scaling laws. We further derive an efficient gradient-based method to select data sources based on the projected model performance. Evaluation over a diverse range of applications demonstrates that <projektor> significantly improves existing performance scaling approaches in terms of both the accuracy of performance inference and the computation costs associated with constructing the performance predictor. Also, <projektor> outperforms by a wide margin in data selection effectiveness compared to a range of other off-the-shelf solutions.

Comics, as a medium, uniquely combine text and images in styles often distinct from real-world visuals. For the past three decades, computational research on comics has evolved from basic object detection to more sophisticated tasks. However, the field faces persistent challenges such as small datasets, inconsistent annotations, inaccessible model weights, and results that cannot be directly compared due to varying train/test splits and metrics. To address these issues, we aim to standardize annotations across datasets, introduce a variety of comic styles into the datasets, and establish benchmark results with clear, replicable settings. Our proposed Comics Datasets Framework standardizes dataset annotations into a common format and addresses the overrepresentation of manga by introducing Comics100, a curated collection of 100 books from the Digital Comics Museum, annotated for detection in our uniform format. We have benchmarked a variety of detection architectures using the Comics Datasets Framework. All related code, model weights, and detailed evaluation processes are available at https://github.com/emanuelevivoli/cdf, ensuring transparency and facilitating replication. This initiative is a significant advancement towards improving object detection in comics, laying the groundwork for more complex computational tasks dependent on precise object recognition.

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.

Fairness or equity in machine learning is profoundly important for societal well-being, but limited public datasets hinder its progress, especially in the area of medicine. It is undeniable that fairness in medicine is one of the most important areas for fairness learning's applications. Currently, no large-scale public medical datasets with 3D imaging data for fairness learning are available, while 3D imaging data in modern clinics are standard tests for disease diagnosis. In addition, existing medical fairness datasets are actually repurposed datasets, and therefore they typically have limited demographic identity attributes with at most three identity attributes of age, gender, and race for fairness modeling. To address this gap, we introduce our Eye Fairness dataset with 30,000 subjects (Harvard-EF) covering three major eye diseases including age-related macular degeneration, diabetic retinopathy, and glaucoma affecting 380 million patients globally. Our Harvard-EF dataset includes both 2D fundus photos and 3D optical coherence tomography scans with six demographic identity attributes including age, gender, race, ethnicity, preferred language, and marital status. We also propose a fair identity scaling (FIS) approach combining group and individual scaling together to improve model fairness. Our FIS approach is compared with various state-of-the-art fairness learning methods with superior performance in the racial, gender, and ethnicity fairness tasks with 2D and 3D imaging data, which demonstrate the utilities of our Harvard-EF dataset for fairness learning. To facilitate fairness comparisons between different models, we propose performance-scaled disparity measures, which can be used to compare model fairness accounting for overall performance levels. The dataset and code are publicly accessible via https://ophai.hms.harvard.edu/datasets/harvard-ef30k.

Deep neural networks have brought remarkable breakthroughs in medical image analysis. However, due to their data-hungry nature, the modest dataset sizes in medical imaging projects might be hindering their full potential. Generating synthetic data provides a promising alternative, allowing to complement training datasets and conducting medical image research at a larger scale. Diffusion models recently have caught the attention of the computer vision community by producing photorealistic synthetic images. In this study, we explore using Latent Diffusion Models to generate synthetic images from high-resolution 3D brain images. We used T1w MRI images from the UK Biobank dataset (N=31,740) to train our models to learn about the probabilistic distribution of brain images, conditioned on covariables, such as age, sex, and brain structure volumes. We found that our models created realistic data, and we could use the conditioning variables to control the data generation effectively. Besides that, we created a synthetic dataset with 100,000 brain images and made it openly available to the scientific community.

Bagging is an important technique for stabilizing machine learning models. In this paper, we derive a finite-sample guarantee on the stability of bagging for any model. Our result places no assumptions on the distribution of the data, on the properties of the base algorithm, or on the dimensionality of the covariates. Our guarantee applies to many variants of bagging and is optimal up to a constant. Empirical results validate our findings, showing that bagging successfully stabilizes even highly unstable base algorithms.

We introduce ArtBench-10, the first class-balanced, high-quality, cleanly annotated, and standardized dataset for benchmarking artwork generation. It comprises 60,000 images of artwork from 10 distinctive artistic styles, with 5,000 training images and 1,000 testing images per style. ArtBench-10 has several advantages over previous artwork datasets. Firstly, it is class-balanced while most previous artwork datasets suffer from the long tail class distributions. Secondly, the images are of high quality with clean annotations. Thirdly, ArtBench-10 is created with standardized data collection, annotation, filtering, and preprocessing procedures. We provide three versions of the dataset with different resolutions (32times32, 256times256, and original image size), formatted in a way that is easy to be incorporated by popular machine learning frameworks. We also conduct extensive benchmarking experiments using representative image synthesis models with ArtBench-10 and present in-depth analysis. The dataset is available at https://github.com/liaopeiyuan/artbench under a Fair Use license.

We introduce DIODE, a dataset that contains thousands of diverse high resolution color images with accurate, dense, long-range depth measurements. DIODE (Dense Indoor/Outdoor DEpth) is the first public dataset to include RGBD images of indoor and outdoor scenes obtained with one sensor suite. This is in contrast to existing datasets that focus on just one domain/scene type and employ different sensors, making generalization across domains difficult. The dataset is available for download at http://diode-dataset.org

In modern machine learning problems we deal with datasets that are either distributed by nature or potentially large for which distributing the computations is usually a standard way to proceed, since centralized algorithms are in general ineffective. We propose a distributed learning approach for mixtures of experts (MoE) models with an aggregation strategy to construct a reduction estimator from local estimators fitted parallelly to distributed subsets of the data. The aggregation is based on an optimal minimization of an expected transportation divergence between the large MoE composed of local estimators and the unknown desired MoE model. We show that the provided reduction estimator is consistent as soon as the local estimators to be aggregated are consistent, and its construction is performed by a proposed majorization-minimization (MM) algorithm that is computationally effective. We study the statistical and numerical properties for the proposed reduction estimator on experiments that demonstrate its performance compared to namely the global estimator constructed in a centralized way from the full dataset. For some situations, the computation time is more than ten times faster, for a comparable performance. Our source codes are publicly available on Github.