new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Dec 15

IndicSUPERB: A Speech Processing Universal Performance Benchmark for Indian languages

A cornerstone in AI research has been the creation and adoption of standardized training and test datasets to earmark the progress of state-of-the-art models. A particularly successful example is the GLUE dataset for training and evaluating Natural Language Understanding (NLU) models for English. The large body of research around self-supervised BERT-based language models revolved around performance improvements on NLU tasks in GLUE. To evaluate language models in other languages, several language-specific GLUE datasets were created. The area of speech language understanding (SLU) has followed a similar trajectory. The success of large self-supervised models such as wav2vec2 enable creation of speech models with relatively easy to access unlabelled data. These models can then be evaluated on SLU tasks, such as the SUPERB benchmark. In this work, we extend this to Indic languages by releasing the IndicSUPERB benchmark. Specifically, we make the following three contributions. (i) We collect Kathbath containing 1,684 hours of labelled speech data across 12 Indian languages from 1,218 contributors located in 203 districts in India. (ii) Using Kathbath, we create benchmarks across 6 speech tasks: Automatic Speech Recognition, Speaker Verification, Speaker Identification (mono/multi), Language Identification, Query By Example, and Keyword Spotting for 12 languages. (iii) On the released benchmarks, we train and evaluate different self-supervised models alongside a commonly used baseline FBANK. We show that language-specific fine-tuned models are more accurate than baseline on most of the tasks, including a large gap of 76\% for the Language Identification task. However, for speaker identification, self-supervised models trained on large datasets demonstrate an advantage. We hope IndicSUPERB contributes to the progress of developing speech language understanding models for Indian languages.

  • 6 authors
·
Aug 24, 2022

LoRA-GA: Low-Rank Adaptation with Gradient Approximation

Fine-tuning large-scale pretrained models is prohibitively expensive in terms of computational and memory costs. LoRA, as one of the most popular Parameter-Efficient Fine-Tuning (PEFT) methods, offers a cost-effective alternative by fine-tuning an auxiliary low-rank model that has significantly fewer parameters. Although LoRA reduces the computational and memory requirements significantly at each iteration, extensive empirical evidence indicates that it converges at a considerably slower rate compared to full fine-tuning, ultimately leading to increased overall compute and often worse test performance. In our paper, we perform an in-depth investigation of the initialization method of LoRA and show that careful initialization (without any change of the architecture and the training algorithm) can significantly enhance both efficiency and performance. In particular, we introduce a novel initialization method, LoRA-GA (Low Rank Adaptation with Gradient Approximation), which aligns the gradients of low-rank matrix product with those of full fine-tuning at the first step. Our extensive experiments demonstrate that LoRA-GA achieves a convergence rate comparable to that of full fine-tuning (hence being significantly faster than vanilla LoRA as well as various recent improvements) while simultaneously attaining comparable or even better performance. For example, on the subset of the GLUE dataset with T5-Base, LoRA-GA outperforms LoRA by 5.69% on average. On larger models such as Llama 2-7B, LoRA-GA shows performance improvements of 0.34, 11.52%, and 5.05% on MT-bench, GSM8K, and Human-eval, respectively. Additionally, we observe up to 2-4 times convergence speed improvement compared to vanilla LoRA, validating its effectiveness in accelerating convergence and enhancing model performance. Code is available at https://github.com/Outsider565/LoRA-GA.

  • 3 authors
·
Jul 6, 2024

Blockwise Compression of Transformer-based Models without Retraining

Transformer-based models, exemplified by GPT-3, ChatGPT, and GPT-4, have recently garnered considerable attention in both academia and industry due to their promising performance in general language tasks. Nevertheless, these models typically involve computationally encoding processes, and in some cases, decoding processes as well, both of which are fundamentally large-scale matrix multiplication. These operations bring the inevitable challenges of massive computation resources and huge memory footprint, usually requiring at least 10^23 FLOPs and hundreds of gigabytes, respectively. A common method to address this issue is to reduce the computational and memory requirements by applying layerwise quantization to the transformer, replacing the usual fp32 data type with a low-bit equivalent. Unfortunately, this method often leads to decreased model accuracy and necessitates time-consuming retraining. Such retraining not only requires fine-tuning skills but also substantial computational resources, posing challenges for users. To specifically tackle these issues, we propose BCT, a framework of blockwise compression for transformers without retraining, aiming to facilitate model deployment. Unlike layerwise compression methods, BCT achieves finer compression of the entire transformer by operating blockwise. This method mitigates data distribution deviation caused by quantization, eliminating the requirement for retraining. BCT effectively compresses all components of the model, including but not limited to the embedding, matrix multiplication, GELU, Softmax, layer normalization, and intermediate results. In a case study, an efficient model is compressed by BCT achieving up to 7.988x compression. Subsequently, we also evaluate it on several General Language Understanding Evaluation (GLUE) datasets.

  • 2 authors
·
Apr 3, 2023

W-PCA Based Gradient-Free Proxy for Efficient Search of Lightweight Language Models

The demand for efficient natural language processing (NLP) systems has led to the development of lightweight language models. Previous work in this area has primarily focused on manual design or training-based neural architecture search (NAS) methods. Recently, zero-shot NAS methods have been proposed for evaluating language models without the need for training. However, prevailing approaches to zero-shot NAS often face challenges such as biased evaluation metrics and computational inefficiencies. In this paper, we introduce weight-weighted PCA (W-PCA), a novel zero-shot NAS method specifically tailored for lightweight language models. Our approach utilizes two evaluation proxies: the parameter count and the number of principal components with cumulative contribution exceeding eta in the feed-forward neural (FFN) layer. Additionally, by eliminating the need for gradient computations, we optimize the evaluation time, thus enhancing the efficiency of designing and evaluating lightweight language models. We conduct a comparative analysis on the GLUE and SQuAD datasets to evaluate our approach. The results demonstrate that our method significantly reduces training time compared to one-shot NAS methods and achieves higher scores in the testing phase compared to previous state-of-the-art training-based methods. Furthermore, we perform ranking evaluations on a dataset sampled from the FlexiBERT search space. Our approach exhibits superior ranking correlation and further reduces solving time compared to other zero-shot NAS methods that require gradient computation.

  • 1 authors
·
Apr 22

Bag of Tricks for Effective Language Model Pretraining and Downstream Adaptation: A Case Study on GLUE

This technical report briefly describes our JDExplore d-team's submission Vega v1 on the General Language Understanding Evaluation (GLUE) leaderboard, where GLUE is a collection of nine natural language understanding tasks, including question answering, linguistic acceptability, sentiment analysis, text similarity, paraphrase detection, and natural language inference. [Method] We investigate several effective strategies and choose their best combination setting as the training recipes. As for model structure, we employ the vanilla Transformer with disentangled attention as the basic block encoder. For self-supervised training, we employ the representative denoising objective (i.e., replaced token detection) in phase 1 and combine the contrastive objective (i.e., sentence embedding contrastive learning) with it in phase 2. During fine-tuning, several advanced techniques such as transductive fine-tuning, self-calibrated fine-tuning, and adversarial fine-tuning are adopted. [Results] According to our submission record (Jan. 2022), with our optimized pretraining and fine-tuning strategies, our 1.3 billion model sets new state-of-the-art on 4/9 tasks, achieving the best average score of 91.3. Encouragingly, our Vega v1 is the first to exceed powerful human performance on the two challenging tasks, i.e., SST-2 and WNLI. We believe our empirically successful recipe with a bag of tricks could shed new light on developing efficient discriminative large language models.

  • 8 authors
·
Feb 18, 2023

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

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

  • 34 authors
·
Oct 6, 2023

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

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

  • 2 authors
·
Apr 19, 2024

Thinking Like an Annotator: Generation of Dataset Labeling Instructions

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

  • 5 authors
·
Jun 24, 2023 1

DataComp: In search of the next generation of multimodal datasets

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

  • 34 authors
·
Apr 27, 2023

1.4 Million Open-Source Distilled Reasoning Dataset to Empower Large Language Model Training

The AM-DeepSeek-R1-Distilled is a large-scale dataset with thinking traces for general reasoning tasks, composed of high-quality and challenging reasoning problems. These problems are collected from a multitude of open-source datasets, subjected to semantic deduplication and meticulous cleaning to eliminate test set contamination. All responses within the dataset are distilled from reasoning models (predominantly DeepSeek-R1) and have undergone rigorous verification procedures. Mathematical problems are validated by checking against reference answers, code problems are verified using test cases, and other tasks are evaluated with the aid of a reward model. The AM-Distill-Qwen-32B model, which was trained through only simple Supervised Fine-Tuning (SFT) using this batch of data, outperformed the DeepSeek-R1-Distill-Qwen-32B model on four benchmarks: AIME2024, MATH-500, GPQA-Diamond, and LiveCodeBench. Additionally, the AM-Distill-Qwen-72B model surpassed the DeepSeek-R1-Distill-Llama-70B model on all benchmarks as well. We are releasing these 1.4 million problems and their corresponding responses to the research community with the objective of fostering the development of powerful reasoning-oriented Large Language Models (LLMs). The dataset was published in https://huggingface.co/datasets/a-m-team/AM-DeepSeek-R1-Distilled-1.4M{https://huggingface.co/datasets/a-m-team/AM-DeepSeek-R1-Distilled-1.4M}.

  • 8 authors
·
Mar 25

tasksource: Structured Dataset Preprocessing Annotations for Frictionless Extreme Multi-Task Learning and Evaluation

The HuggingFace Datasets Hub hosts thousands of datasets. This provides exciting opportunities for language model training and evaluation. However, the datasets for a given type of task are stored with different schemas, and harmonization is harder than it seems (https://xkcd.com/927/). Multi-task training or evaluation requires manual work to fit data into task templates. Various initiatives independently address this problem by releasing the harmonized datasets or harmonization codes to preprocess datasets to the same format. We identify patterns across previous preprocessings, e.g. mapping of column names, and extraction of a specific sub-field from structured data in a column, and propose a structured annotation framework that makes our annotations fully exposed and not buried in unstructured code. We release a dataset annotation framework and dataset annotations for more than 400 English tasks (https://github.com/sileod/tasksource). These annotations provide metadata, like the name of the columns that should be used as input or labels for all datasets, and can save time for future dataset preprocessings, even if they do not use our framework. We fine-tune a multi-task text encoder on all tasksource tasks, outperforming every publicly available text encoder of comparable size on an external evaluation https://hf.co/sileod/deberta-v3-base-tasksource-nli.

  • 1 authors
·
Jan 14, 2023

Building a Family of Data Augmentation Models for Low-cost LLM Fine-tuning on the Cloud

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

  • 4 authors
·
Dec 6, 2024

The Open Catalyst 2020 (OC20) Dataset and Community Challenges

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

  • 17 authors
·
Oct 19, 2020

Automatic Dataset Construction (ADC): Sample Collection, Data Curation, and Beyond

Large-scale data collection is essential for developing personalized training data, mitigating the shortage of training data, and fine-tuning specialized models. However, creating high-quality datasets quickly and accurately remains a challenge due to annotation errors, the substantial time and costs associated with human labor. To address these issues, we propose Automatic Dataset Construction (ADC), an innovative methodology that automates dataset creation with negligible cost and high efficiency. Taking the image classification task as a starting point, ADC leverages LLMs for the detailed class design and code generation to collect relevant samples via search engines, significantly reducing the need for manual annotation and speeding up the data generation process. Despite these advantages, ADC also encounters real-world challenges such as label errors (label noise) and imbalanced data distributions (label bias). We provide open-source software that incorporates existing methods for label error detection, robust learning under noisy and biased data, ensuring a higher-quality training data and more robust model training procedure. Furthermore, we design three benchmark datasets focused on label noise detection, label noise learning, and class-imbalanced learning. These datasets are vital because there are few existing datasets specifically for label noise detection, despite its importance. Finally, we evaluate the performance of existing popular methods on these datasets, thereby facilitating further research in the field.

  • 18 authors
·
Aug 21, 2024

Valentine: Evaluating Matching Techniques for Dataset Discovery

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

  • 9 authors
·
Oct 14, 2020

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

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

  • 14 authors
·
Jul 5, 2024

Rethinking Symbolic Regression Datasets and Benchmarks for Scientific Discovery

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.

  • 5 authors
·
Jun 21, 2022

Revisiting Table Detection Datasets for Visually Rich Documents

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

  • 4 authors
·
May 3, 2023

Single and Multi-Hop Question-Answering Datasets for Reticular Chemistry with GPT-4-Turbo

The rapid advancement in artificial intelligence and natural language processing has led to the development of large-scale datasets aimed at benchmarking the performance of machine learning models. Herein, we introduce 'RetChemQA,' a comprehensive benchmark dataset designed to evaluate the capabilities of such models in the domain of reticular chemistry. This dataset includes both single-hop and multi-hop question-answer pairs, encompassing approximately 45,000 Q&As for each type. The questions have been extracted from an extensive corpus of literature containing about 2,530 research papers from publishers including NAS, ACS, RSC, Elsevier, and Nature Publishing Group, among others. The dataset has been generated using OpenAI's GPT-4 Turbo, a cutting-edge model known for its exceptional language understanding and generation capabilities. In addition to the Q&A dataset, we also release a dataset of synthesis conditions extracted from the corpus of literature used in this study. The aim of RetChemQA is to provide a robust platform for the development and evaluation of advanced machine learning algorithms, particularly for the reticular chemistry community. The dataset is structured to reflect the complexities and nuances of real-world scientific discourse, thereby enabling nuanced performance assessments across a variety of tasks. The dataset is available at the following link: https://github.com/nakulrampal/RetChemQA

  • 14 authors
·
May 3, 2024

RedPajama: an Open Dataset for Training Large Language Models

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.

  • 19 authors
·
Nov 19, 2024 3

DatasetResearch: Benchmarking Agent Systems for Demand-Driven Dataset Discovery

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

  • 7 authors
·
Aug 9

A Dataset for Distilling Knowledge Priors from Literature for Therapeutic Design

AI-driven discovery can greatly reduce design time and enhance new therapeutics' effectiveness. Models using simulators explore broad design spaces but risk violating implicit constraints due to a lack of experimental priors. For example, in a new analysis we performed on a diverse set of models on the GuacaMol benchmark using supervised classifiers, over 60\% of molecules proposed had high probability of being mutagenic. In this work, we introduce \ourdataset, a dataset of priors for design problems extracted from literature describing compounds used in lab settings. It is constructed with LLM pipelines for discovering therapeutic entities in relevant paragraphs and summarizing information in concise fair-use facts. \ourdataset~ consists of 32.3 million pairs of natural language facts, and appropriate entity representations (i.e. SMILES or refseq IDs). To demonstrate the potential of the data, we train LLM, CLIP, and LLava architectures to reason jointly about text and design targets and evaluate on tasks from the Therapeutic Data Commons (TDC). \ourdataset~is highly effective for creating models with strong priors: in supervised prediction problems that use our data as pretraining, our best models with 15M learnable parameters outperform larger 2B TxGemma on both regression and classification TDC tasks, and perform comparably to 9B models on average. Models built with \ourdataset~can be used as constraints while optimizing for novel molecules in GuacaMol, resulting in proposals that are safer and nearly as effective. We release our dataset at https://huggingface.co/datasets/medexanon/Medex{huggingface.co/datasets/medexanon/Medex}, and will provide expanded versions as available literature grows.

  • 12 authors
·
Aug 14

ATOM3D: Tasks On Molecules in Three Dimensions

Computational methods that operate on three-dimensional molecular structure have the potential to solve important questions in biology and chemistry. In particular, deep neural networks have gained significant attention, but their widespread adoption in the biomolecular domain has been limited by a lack of either systematic performance benchmarks or a unified toolkit for interacting with molecular data. To address this, we present ATOM3D, a collection of both novel and existing benchmark datasets spanning several key classes of biomolecules. We implement several classes of three-dimensional molecular learning methods for each of these tasks and show that they consistently improve performance relative to methods based on one- and two-dimensional representations. The specific choice of architecture proves to be critical for performance, with three-dimensional convolutional networks excelling at tasks involving complex geometries, graph networks performing well on systems requiring detailed positional information, and the more recently developed equivariant networks showing significant promise. Our results indicate that many molecular problems stand to gain from three-dimensional molecular learning, and that there is potential for improvement on many tasks which remain underexplored. To lower the barrier to entry and facilitate further developments in the field, we also provide a comprehensive suite of tools for dataset processing, model training, and evaluation in our open-source atom3d Python package. All datasets are available for download from https://www.atom3d.ai .

  • 13 authors
·
Dec 7, 2020

Agent-based Learning of Materials Datasets from Scientific Literature

Advancements in machine learning and artificial intelligence are transforming materials discovery. Yet, the availability of structured experimental data remains a bottleneck. The vast corpus of scientific literature presents a valuable and rich resource of such data. However, manual dataset creation from these resources is challenging due to issues in maintaining quality and consistency, scalability limitations, and the risk of human error and bias. Therefore, in this work, we develop a chemist AI agent, powered by large language models (LLMs), to overcome these challenges by autonomously creating structured datasets from natural language text, ranging from sentences and paragraphs to extensive scientific research articles. Our chemist AI agent, Eunomia, can plan and execute actions by leveraging the existing knowledge from decades of scientific research articles, scientists, the Internet and other tools altogether. We benchmark the performance of our approach in three different information extraction tasks with various levels of complexity, including solid-state impurity doping, metal-organic framework (MOF) chemical formula, and property relations. Our results demonstrate that our zero-shot agent, with the appropriate tools, is capable of attaining performance that is either superior or comparable to the state-of-the-art fine-tuned materials information extraction methods. This approach simplifies compilation of machine learning-ready datasets for various materials discovery applications, and significantly ease the accessibility of advanced natural language processing tools for novice users in natural language. The methodology in this work is developed as an open-source software on https://github.com/AI4ChemS/Eunomia.

  • 2 authors
·
Dec 18, 2023

Datasets for Large Language Models: A Comprehensive Survey

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

  • 5 authors
·
Feb 27, 2024 1

Adversarial GLUE: A Multi-Task Benchmark for Robustness Evaluation of Language Models

Large-scale pre-trained language models have achieved tremendous success across a wide range of natural language understanding (NLU) tasks, even surpassing human performance. However, recent studies reveal that the robustness of these models can be challenged by carefully crafted textual adversarial examples. While several individual datasets have been proposed to evaluate model robustness, a principled and comprehensive benchmark is still missing. In this paper, we present Adversarial GLUE (AdvGLUE), a new multi-task benchmark to quantitatively and thoroughly explore and evaluate the vulnerabilities of modern large-scale language models under various types of adversarial attacks. In particular, we systematically apply 14 textual adversarial attack methods to GLUE tasks to construct AdvGLUE, which is further validated by humans for reliable annotations. Our findings are summarized as follows. (i) Most existing adversarial attack algorithms are prone to generating invalid or ambiguous adversarial examples, with around 90% of them either changing the original semantic meanings or misleading human annotators as well. Therefore, we perform a careful filtering process to curate a high-quality benchmark. (ii) All the language models and robust training methods we tested perform poorly on AdvGLUE, with scores lagging far behind the benign accuracy. We hope our work will motivate the development of new adversarial attacks that are more stealthy and semantic-preserving, as well as new robust language models against sophisticated adversarial attacks. AdvGLUE is available at https://adversarialglue.github.io.

  • 8 authors
·
Nov 4, 2021

Not All Correct Answers Are Equal: Why Your Distillation Source Matters

Distillation has emerged as a practical and effective approach to enhance the reasoning capabilities of open-source language models. In this work, we conduct a large-scale empirical study on reasoning data distillation by collecting verified outputs from three state-of-the-art teacher models-AM-Thinking-v1, Qwen3-235B-A22B, and DeepSeek-R1-on a shared corpus of 1.89 million queries. We construct three parallel datasets and analyze their distributions, revealing that AM-Thinking-v1-distilled data exhibits greater token length diversity and lower perplexity. Student models trained on each dataset are evaluated on reasoning benchmarks including AIME2024, AIME2025, MATH500, and LiveCodeBench. The AM-based model consistently achieves the best performance (e.g., 84.3 on AIME2024, 72.2 on AIME2025, 98.4 on MATH500, and 65.9 on LiveCodeBench) and demonstrates adaptive output behavior-producing longer responses for harder tasks and shorter ones for simpler tasks. These findings highlight the value of high-quality, verified reasoning traces. We release the AM-Thinking-v1 and Qwen3-235B-A22B distilled datasets to support future research on open and high-performing reasoning-oriented language models. The datasets are publicly available on Hugging FaceDatasets are available on Hugging Face: \href{https://huggingface.co/datasets/a-m-team/AM-Thinking-v1-Distilled{AM-Thinking-v1-Distilled}, https://huggingface.co/datasets/a-m-team/AM-Qwen3-Distilled{AM-Qwen3-Distilled}.}.

  • 8 authors
·
May 20 2

PrediTree: A Multi-Temporal Sub-meter Dataset of Multi-Spectral Imagery Aligned With Canopy Height Maps

We present PrediTree, the first comprehensive open-source dataset designed for training and evaluating tree height prediction models at sub-meter resolution. This dataset combines very high-resolution (0.5m) LiDAR-derived canopy height maps, spatially aligned with multi-temporal and multi-spectral imagery, across diverse forest ecosystems in France, totaling 3,141,568 images. PrediTree addresses a critical gap in forest monitoring capabilities by enabling the training of deep learning methods that can predict tree growth based on multiple past observations. %Initially focused on French forests, PrediTree is designed as an expanding resource with ongoing efforts to incorporate data from other countries. To make use of this PrediTree dataset, we propose an encoder-decoder framework that requires the multi-temporal multi-spectral imagery and the relative time differences in years between the canopy height map timestamp (target) and each image acquisition date for which this framework predicts the canopy height. The conducted experiments demonstrate that a U-Net architecture trained on the PrediTree dataset provides the highest masked mean squared error of 11.78%, outperforming the next-best architecture, ResNet-50, by around 12%, and cutting the error of the same experiments but on fewer bands (red, green, blue only), by around 30%. This dataset is publicly available on URL{HuggingFace}, and both processing and training codebases are available on URL{GitHub}.

  • 3 authors
·
Sep 1

Data Filtering Networks

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.

  • 6 authors
·
Sep 29, 2023 1

This is the way: designing and compiling LEPISZCZE, a comprehensive NLP benchmark for Polish

The availability of compute and data to train larger and larger language models increases the demand for robust methods of benchmarking the true progress of LM training. Recent years witnessed significant progress in standardized benchmarking for English. Benchmarks such as GLUE, SuperGLUE, or KILT have become de facto standard tools to compare large language models. Following the trend to replicate GLUE for other languages, the KLEJ benchmark has been released for Polish. In this paper, we evaluate the progress in benchmarking for low-resourced languages. We note that only a handful of languages have such comprehensive benchmarks. We also note the gap in the number of tasks being evaluated by benchmarks for resource-rich English/Chinese and the rest of the world. In this paper, we introduce LEPISZCZE (the Polish word for glew, the Middle English predecessor of glue), a new, comprehensive benchmark for Polish NLP with a large variety of tasks and high-quality operationalization of the benchmark. We design LEPISZCZE with flexibility in mind. Including new models, datasets, and tasks is as simple as possible while still offering data versioning and model tracking. In the first run of the benchmark, we test 13 experiments (task and dataset pairs) based on the five most recent LMs for Polish. We use five datasets from the Polish benchmark and add eight novel datasets. As the paper's main contribution, apart from LEPISZCZE, we provide insights and experiences learned while creating the benchmark for Polish as the blueprint to design similar benchmarks for other low-resourced languages.

  • 12 authors
·
Nov 23, 2022

Dataset Distillation via Committee Voting

Dataset distillation aims to synthesize a smaller, representative dataset that preserves the essential properties of the original data, enabling efficient model training with reduced computational resources. Prior work has primarily focused on improving the alignment or matching process between original and synthetic data, or on enhancing the efficiency of distilling large datasets. In this work, we introduce {bf C}ommittee {bf V}oting for {bf D}ataset {bf D}istillation (CV-DD), a novel and orthogonal approach that leverages the collective wisdom of multiple models or experts to create high-quality distilled datasets. We start by showing how to establish a strong baseline that already achieves state-of-the-art accuracy through leveraging recent advancements and thoughtful adjustments in model design and optimization processes. By integrating distributions and predictions from a committee of models while generating high-quality soft labels, our method captures a wider spectrum of data features, reduces model-specific biases and the adverse effects of distribution shifts, leading to significant improvements in generalization. This voting-based strategy not only promotes diversity and robustness within the distilled dataset but also significantly reduces overfitting, resulting in improved performance on post-eval tasks. Extensive experiments across various datasets and IPCs (images per class) demonstrate that Committee Voting leads to more reliable and adaptable distilled data compared to single/multi-model distillation methods, demonstrating its potential for efficient and accurate dataset distillation. Code is available at: https://github.com/Jiacheng8/CV-DD.

  • 6 authors
·
Jan 13

RG-Attn: Radian Glue Attention for Multi-modality Multi-agent Cooperative Perception

Cooperative perception offers an optimal solution to overcome the perception limitations of single-agent systems by leveraging Vehicle-to-Everything (V2X) communication for data sharing and fusion across multiple agents. However, most existing approaches focus on single-modality data exchange, limiting the potential of both homogeneous and heterogeneous fusion across agents. This overlooks the opportunity to utilize multi-modality data per agent, restricting the system's performance. In the automotive industry, manufacturers adopt diverse sensor configurations, resulting in heterogeneous combinations of sensor modalities across agents. To harness the potential of every possible data source for optimal performance, we design a robust LiDAR and camera cross-modality fusion module, Radian-Glue-Attention (RG-Attn), applicable to both intra-agent cross-modality fusion and inter-agent cross-modality fusion scenarios, owing to the convenient coordinate conversion by transformation matrix and the unified sampling/inversion mechanism. We also propose two different architectures, named Paint-To-Puzzle (PTP) and Co-Sketching-Co-Coloring (CoS-CoCo), for conducting cooperative perception. PTP aims for maximum precision performance and achieves smaller data packet size by limiting cross-agent fusion to a single instance, but requiring all participants to be equipped with LiDAR. In contrast, CoS-CoCo supports agents with any configuration-LiDAR-only, camera-only, or LiDAR-camera-both, presenting more generalization ability. Our approach achieves state-of-the-art (SOTA) performance on both real and simulated cooperative perception datasets. The code is now available at GitHub.

  • 5 authors
·
Jan 28

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

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

  • 8 authors
·
Mar 15, 2023

DC-BENCH: Dataset Condensation Benchmark

Dataset Condensation is a newly emerging technique aiming at learning a tiny dataset that captures the rich information encoded in the original dataset. As the size of datasets contemporary machine learning models rely on becomes increasingly large, condensation methods become a prominent direction for accelerating network training and reducing data storage. Despite numerous methods have been proposed in this rapidly growing field, evaluating and comparing different condensation methods is non-trivial and still remains an open issue. The quality of condensed dataset are often shadowed by many critical contributing factors to the end performance, such as data augmentation and model architectures. The lack of a systematic way to evaluate and compare condensation methods not only hinders our understanding of existing techniques, but also discourages practical usage of the synthesized datasets. This work provides the first large-scale standardized benchmark on Dataset Condensation. It consists of a suite of evaluations to comprehensively reflect the generability and effectiveness of condensation methods through the lens of their generated dataset. Leveraging this benchmark, we conduct a large-scale study of current condensation methods, and report many insightful findings that open up new possibilities for future development. The benchmark library, including evaluators, baseline methods, and generated datasets, is open-sourced to facilitate future research and application.

  • 4 authors
·
Jul 19, 2022

Fine Tuning LLM for Enterprise: Practical Guidelines and Recommendations

There is a compelling necessity from enterprises for fine tuning LLMs (Large Language Models) o get them trained on proprietary domain knowledge. The challenge is to imbibe the LLMs with domain specific knowledge using the most optimial resource and cost and in the best possible time. Many enterprises rely on RAG (Retrieval Augmented Generation) which does not need LLMs to be ine-tuned but they are limited by the quality of vector databases and their retrieval capabilities rather than the intrinsic capabilities of the LLMs themselves. In our current work we focus on fine tuning LLaMA, an open source LLM using proprietary documents and code from an enterprise repository and use the fine tuned models to evaluate the quality of responses. As part of this work, we aim to guide beginners on how to start with fine tuning an LLM for documentation and code by making educated guesses on size of GPU required and options that are available for formatting the data. We also propose pre processing recipes for both documentation and code to prepare dataset in different formats. The proposed methods of data preparation for document datasets are forming paragraph chunks, forming question and answer pairs and forming keyword and paragraph chunk pairs. For code dataset we propose forming summary and function pairs. Further, we qualitatively evaluate the results of the models for domain specific queries. Finally, we also propose practical guidelines and recommendations for fine tuning LLMs.

  • 4 authors
·
Mar 23, 2024

ProMap: Datasets for Product Mapping in E-commerce

The goal of product mapping is to decide, whether two listings from two different e-shops describe the same products. Existing datasets of matching and non-matching pairs of products, however, often suffer from incomplete product information or contain only very distant non-matching products. Therefore, while predictive models trained on these datasets achieve good results on them, in practice, they are unusable as they cannot distinguish very similar but non-matching pairs of products. This paper introduces two new datasets for product mapping: ProMapCz consisting of 1,495 Czech product pairs and ProMapEn consisting of 1,555 English product pairs of matching and non-matching products manually scraped from two pairs of e-shops. The datasets contain both images and textual descriptions of the products, including their specifications, making them one of the most complete datasets for product mapping. Additionally, the non-matching products were selected in two phases, creating two types of non-matches -- close non-matches and medium non-matches. Even the medium non-matches are pairs of products that are much more similar than non-matches in other datasets -- for example, they still need to have the same brand and similar name and price. After simple data preprocessing, several machine learning algorithms were trained on these and two the other datasets to demonstrate the complexity and completeness of ProMap datasets. ProMap datasets are presented as a golden standard for further research of product mapping filling the gaps in existing ones.

  • 2 authors
·
Sep 13, 2023

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

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

  • 7 authors
·
Jan 9 2

Maximizing Efficiency of Dataset Compression for Machine Learning Potentials With Information Theory

Machine learning interatomic potentials (MLIPs) balance high accuracy and lower costs compared to density functional theory calculations, but their performance often depends on the size and diversity of training datasets. Large datasets improve model accuracy and generalization but are computationally expensive to produce and train on, while smaller datasets risk discarding rare but important atomic environments and compromising MLIP accuracy/reliability. Here, we develop an information-theoretical framework to quantify the efficiency of dataset compression methods and propose an algorithm that maximizes this efficiency. By framing atomistic dataset compression as an instance of the minimum set cover (MSC) problem over atom-centered environments, our method identifies the smallest subset of structures that contains as much information as possible from the original dataset while pruning redundant information. The approach is extensively demonstrated on the GAP-20 and TM23 datasets, and validated on 64 varied datasets from the ColabFit repository. Across all cases, MSC consistently retains outliers, preserves dataset diversity, and reproduces the long-tail distributions of forces even at high compression rates, outperforming other subsampling methods. Furthermore, MLIPs trained on MSC-compressed datasets exhibit reduced error for out-of-distribution data even in low-data regimes. We explain these results using an outlier analysis and show that such quantitative conclusions could not be achieved with conventional dimensionality reduction methods. The algorithm is implemented in the open-source QUESTS package and can be used for several tasks in atomistic modeling, from data subsampling, outlier detection, and training improved MLIPs at a lower cost.

  • 3 authors
·
Nov 13

PIN: A Knowledge-Intensive Dataset for Paired and Interleaved Multimodal Documents

Recent advancements in Large Multimodal Models (LMMs) have leveraged extensive multimodal datasets to enhance capabilities in complex knowledge-driven tasks. However, persistent challenges in perceptual and reasoning errors limit their efficacy, particularly in interpreting intricate visual data and deducing multimodal relationships. Addressing these issues, we introduce a novel dataset format, PIN (Paired and INterleaved multimodal documents), designed to significantly improve both the depth and breadth of multimodal training. The PIN format is built on three foundational principles: knowledge intensity, scalability, and support for diverse training modalities. This innovative format combines markdown files and comprehensive images to enrich training data with a dense knowledge structure and versatile training strategies. We present PIN-14M, an open-source dataset comprising 14 million samples derived from a diverse range of Chinese and English sources, tailored to include complex web and scientific content. This dataset is constructed meticulously to ensure data quality and ethical integrity, aiming to facilitate advanced training strategies and improve model robustness against common multimodal training pitfalls. Our initial results, forming the basis of this technical report, suggest significant potential for the PIN format in refining LMM performance, with plans for future expansions and detailed evaluations of its impact on model capabilities.

  • 16 authors
·
Jun 19, 2024 1

ChemPile: A 250GB Diverse and Curated Dataset for Chemical Foundation Models

Foundation models have shown remarkable success across scientific domains, yet their impact in chemistry remains limited due to the absence of diverse, large-scale, high-quality datasets that reflect the field's multifaceted nature. We present the ChemPile, an open dataset containing over 75 billion tokens of curated chemical data, specifically built for training and evaluating general-purpose models in the chemical sciences. The dataset mirrors the human learning journey through chemistry -- from educational foundations to specialized expertise -- spanning multiple modalities and content types including structured data in diverse chemical representations (SMILES, SELFIES, IUPAC names, InChI, molecular renderings), scientific and educational text, executable code, and chemical images. ChemPile integrates foundational knowledge (textbooks, lecture notes), specialized expertise (scientific articles and language-interfaced data), visual understanding (molecular structures, diagrams), and advanced reasoning (problem-solving traces and code) -- mirroring how human chemists develop expertise through diverse learning materials and experiences. Constructed through hundreds of hours of expert curation, the ChemPile captures both foundational concepts and domain-specific complexity. We provide standardized training, validation, and test splits, enabling robust benchmarking. ChemPile is openly released via HuggingFace with a consistent API, permissive license, and detailed documentation. We hope the ChemPile will serve as a catalyst for chemical AI, enabling the development of the next generation of chemical foundation models.

  • 15 authors
·
May 18

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

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

  • 6 authors
·
Apr 18 3

DAPFAM: A Domain-Aware Patent Retrieval Dataset Aggregated at the Family Level

In the landscape of publicly available patent retrieval datasets, the need for explicit indomain and out-of-domain labeling, multi-jurisdiction coverage, balanced query domain representation and manageable sizes that support sub document level experiments on moderate computational resources is often overlooked. To address these gaps, we propose DAPFAM, a new open access domain-aware patent retrieval dataset constructed at the simple-family level. The dataset contains 1,247 domain balanced full text query families and 45,336 full text target families. The dataset is enriched by clear relevance judgments (forward/backward citations as positive links, random negatives), as well as explicit in-domain or out-of-domain relationships via a novel proposed labelling scheme based on via International Patent Classification (IPC) codes, resulting in 49,869 evaluation pairs. The dataset is multi jurisdictional, requires little to no preprocessing for retrieval evaluation, and remains of a size manageable for entities with limited ressources allowing for sub document level retrieval experiments without excessive computational costs. We describe our three-step data-curation pipeline, present comprehensive dataset statistics, and provide baseline experiments using lexical and neural retrieval methods. Our baseline experiments highlight significant challenges in crossdomain patent retrieval. The dataset will be publicly available (for now the access link is this repository: https://osf.io/vbyzd/?view_only=1a40242e0d1941a58aa854af3e50cf6b).

  • 3 authors
·
Jun 27

A Fine-tuning Dataset and Benchmark for Large Language Models for Protein Understanding

The parallels between protein sequences and natural language in their sequential structures have inspired the application of large language models (LLMs) to protein understanding. Despite the success of LLMs in NLP, their effectiveness in comprehending protein sequences remains an open question, largely due to the absence of datasets linking protein sequences to descriptive text. Researchers have then attempted to adapt LLMs for protein understanding by integrating a protein sequence encoder with a pre-trained LLM. However, this adaptation raises a fundamental question: "Can LLMs, originally designed for NLP, effectively comprehend protein sequences as a form of language?" Current datasets fall short in addressing this question due to the lack of a direct correlation between protein sequences and corresponding text descriptions, limiting the ability to train and evaluate LLMs for protein understanding effectively. To bridge this gap, we introduce ProteinLMDataset, a dataset specifically designed for further self-supervised pretraining and supervised fine-tuning (SFT) of LLMs to enhance their capability for protein sequence comprehension. Specifically, ProteinLMDataset includes 17.46 billion tokens for pretraining and 893,000 instructions for SFT. Additionally, we present ProteinLMBench, the first benchmark dataset consisting of 944 manually verified multiple-choice questions for assessing the protein understanding capabilities of LLMs. ProteinLMBench incorporates protein-related details and sequences in multiple languages, establishing a new standard for evaluating LLMs' abilities in protein comprehension. The large language model InternLM2-7B, pretrained and fine-tuned on the ProteinLMDataset, outperforms GPT-4 on ProteinLMBench, achieving the highest accuracy score. The dataset and the benchmark are available at https://huggingface.co/datasets/tsynbio/ProteinLMBench.

  • 9 authors
·
Jun 8, 2024

Towards Lossless Dataset Distillation via Difficulty-Aligned Trajectory Matching

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.

  • 6 authors
·
Oct 9, 2023

UltraVideo: High-Quality UHD Video Dataset with Comprehensive Captions

The quality of the video dataset (image quality, resolution, and fine-grained caption) greatly influences the performance of the video generation model. The growing demand for video applications sets higher requirements for high-quality video generation models. For example, the generation of movie-level Ultra-High Definition (UHD) videos and the creation of 4K short video content. However, the existing public datasets cannot support related research and applications. In this paper, we first propose a high-quality open-sourced UHD-4K (22.4\% of which are 8K) text-to-video dataset named UltraVideo, which contains a wide range of topics (more than 100 kinds), and each video has 9 structured captions with one summarized caption (average of 824 words). Specifically, we carefully design a highly automated curation process with four stages to obtain the final high-quality dataset: i) collection of diverse and high-quality video clips. ii) statistical data filtering. iii) model-based data purification. iv) generation of comprehensive, structured captions. In addition, we expand Wan to UltraWan-1K/-4K, which can natively generate high-quality 1K/4K videos with more consistent text controllability, demonstrating the effectiveness of our data curation.We believe that this work can make a significant contribution to future research on UHD video generation. UltraVideo dataset and UltraWan models are available at https://xzc-zju.github.io/projects/UltraVideo.

  • 11 authors
·
Jun 16

Datasheets Aren't Enough: DataRubrics for Automated Quality Metrics and Accountability

High-quality datasets are fundamental to training and evaluating machine learning models, yet their creation-especially with accurate human annotations-remains a significant challenge. Many dataset paper submissions lack originality, diversity, or rigorous quality control, and these shortcomings are often overlooked during peer review. Submissions also frequently omit essential details about dataset construction and properties. While existing tools such as datasheets aim to promote transparency, they are largely descriptive and do not provide standardized, measurable methods for evaluating data quality. Similarly, metadata requirements at conferences promote accountability but are inconsistently enforced. To address these limitations, this position paper advocates for the integration of systematic, rubric-based evaluation metrics into the dataset review process-particularly as submission volumes continue to grow. We also explore scalable, cost-effective methods for synthetic data generation, including dedicated tools and LLM-as-a-judge approaches, to support more efficient evaluation. As a call to action, we introduce DataRubrics, a structured framework for assessing the quality of both human- and model-generated datasets. Leveraging recent advances in LLM-based evaluation, DataRubrics offers a reproducible, scalable, and actionable solution for dataset quality assessment, enabling both authors and reviewers to uphold higher standards in data-centric research. We also release code to support reproducibility of LLM-based evaluations at https://github.com/datarubrics/datarubrics.

When Can Models Learn From Explanations? A Formal Framework for Understanding the Roles of Explanation Data

Many methods now exist for conditioning model outputs on task instructions, retrieved documents, and user-provided explanations and feedback. Rather than relying solely on examples of task inputs and outputs, these approaches use valuable additional data for improving model correctness and aligning learned models with human priors. Meanwhile, a growing body of evidence suggests that some language models can (1) store a large amount of knowledge in their parameters, and (2) perform inference over tasks in textual inputs at test time. These results raise the possibility that, for some tasks, humans cannot explain to a model any more about the task than it already knows or could infer on its own. In this paper, we study the circumstances under which explanations of individual data points can (or cannot) improve modeling performance. In order to carefully control important properties of the data and explanations, we introduce a synthetic dataset for experiments, and we also make use of three existing datasets with explanations: e-SNLI, TACRED, and SemEval. We first give a formal framework for the available modeling approaches, in which explanation data can be used as model inputs, as targets, or as a prior. After arguing that the most promising role for explanation data is as model inputs, we propose to use a retrieval-based method and show that it solves our synthetic task with accuracies upwards of 95%, while baselines without explanation data achieve below 65% accuracy. We then identify properties of datasets for which retrieval-based modeling fails. With the three existing datasets, we find no improvements from explanation retrieval. Drawing on findings from our synthetic task, we suggest that at least one of six preconditions for successful modeling fails to hold with these datasets. Our code is publicly available at https://github.com/peterbhase/ExplanationRoles

  • 2 authors
·
Feb 3, 2021

Can Large Language Models Replace Data Scientists in Clinical Research?

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

  • 5 authors
·
Oct 28, 2024

LAION-5B: An open large-scale dataset for training next generation image-text models

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/

  • 16 authors
·
Oct 15, 2022

GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets

Recent years have seen the advent of molecular simulation datasets that are orders of magnitude larger and more diverse. These new datasets differ substantially in four aspects of complexity: 1. Chemical diversity (number of different elements), 2. system size (number of atoms per sample), 3. dataset size (number of data samples), and 4. domain shift (similarity of the training and test set). Despite these large differences, benchmarks on small and narrow datasets remain the predominant method of demonstrating progress in graph neural networks (GNNs) for molecular simulation, likely due to cheaper training compute requirements. This raises the question -- does GNN progress on small and narrow datasets translate to these more complex datasets? This work investigates this question by first developing the GemNet-OC model based on the large Open Catalyst 2020 (OC20) dataset. GemNet-OC outperforms the previous state-of-the-art on OC20 by 16% while reducing training time by a factor of 10. We then compare the impact of 18 model components and hyperparameter choices on performance in multiple datasets. We find that the resulting model would be drastically different depending on the dataset used for making model choices. To isolate the source of this discrepancy we study six subsets of the OC20 dataset that individually test each of the above-mentioned four dataset aspects. We find that results on the OC-2M subset correlate well with the full OC20 dataset while being substantially cheaper to train on. Our findings challenge the common practice of developing GNNs solely on small datasets, but highlight ways of achieving fast development cycles and generalizable results via moderately-sized, representative datasets such as OC-2M and efficient models such as GemNet-OC. Our code and pretrained model weights are open-sourced.

  • 7 authors
·
Apr 6, 2022

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

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

  • 9 authors
·
Dec 7, 2024

CVEfixes: Automated Collection of Vulnerabilities and Their Fixes from Open-Source Software

Data-driven research on the automated discovery and repair of security vulnerabilities in source code requires comprehensive datasets of real-life vulnerable code and their fixes. To assist in such research, we propose a method to automatically collect and curate a comprehensive vulnerability dataset from Common Vulnerabilities and Exposures (CVE) records in the public National Vulnerability Database (NVD). We implement our approach in a fully automated dataset collection tool and share an initial release of the resulting vulnerability dataset named CVEfixes. The CVEfixes collection tool automatically fetches all available CVE records from the NVD, gathers the vulnerable code and corresponding fixes from associated open-source repositories, and organizes the collected information in a relational database. Moreover, the dataset is enriched with meta-data such as programming language, and detailed code and security metrics at five levels of abstraction. The collection can easily be repeated to keep up-to-date with newly discovered or patched vulnerabilities. The initial release of CVEfixes spans all published CVEs up to 9 June 2021, covering 5365 CVE records for 1754 open-source projects that were addressed in a total of 5495 vulnerability fixing commits. CVEfixes supports various types of data-driven software security research, such as vulnerability prediction, vulnerability classification, vulnerability severity prediction, analysis of vulnerability-related code changes, and automated vulnerability repair.

  • 3 authors
·
Jul 19, 2021

AutoDistil: Few-shot Task-agnostic Neural Architecture Search for Distilling Large Language Models

Knowledge distillation (KD) methods compress large models into smaller students with manually-designed student architectures given pre-specified computational cost. This requires several trials to find a viable student, and further repeating the process for each student or computational budget change. We use Neural Architecture Search (NAS) to automatically distill several compressed students with variable cost from a large model. Current works train a single SuperLM consisting of millions of subnetworks with weight-sharing, resulting in interference between subnetworks of different sizes. Our framework AutoDistil addresses above challenges with the following steps: (a) Incorporates inductive bias and heuristics to partition Transformer search space into K compact sub-spaces (K=3 for typical student sizes of base, small and tiny); (b) Trains one SuperLM for each sub-space using task-agnostic objective (e.g., self-attention distillation) with weight-sharing of students; (c) Lightweight search for the optimal student without re-training. Fully task-agnostic training and search allow students to be reused for fine-tuning on any downstream task. Experiments on GLUE benchmark against state-of-the-art KD and NAS methods demonstrate AutoDistil to outperform leading compression techniques with upto 2.7x reduction in computational cost and negligible loss in task performance.

  • 8 authors
·
Jan 29, 2022