new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Dec 11

Instruction Mining: High-Quality Instruction Data Selection for Large Language Models

Large language models typically undergo two training stages, pretraining and finetuning. Despite that large-scale pretraining endows the model with strong capabilities to generate natural language responses, these pretrained models can still fail to understand human instructions at times. To enhance language models' ability of interpreting and responding to instructions, instruction finetuning has emerged as a critical method in this area. Recent studies found that large language models can be finetuned to perform well even with a small amount of high-quality instruction-following data. However, the selection of high-quality datasets for finetuning language models still lacks clear guidelines to follow. In this paper, we propose InstructMining, a linear rule for evaluating instruction-following data quality. We formulate InstructMining using specific natural language indicators. To investigate the relationship between data quality and these indicators, we further conduct extensive finetuning experiments. The experiment results are then applied to estimating parameters in InstructMining. To further investigate its performance, we use InstructMining to select high-quality data from unseen datasets. Results demonstrate that InstructMining can help select relatively high-quality samples from various instruction-following datasets. Compared to models finetuned on unfiltered datasets, models finetuned on InstructMining selected datasets perform better on 42.5% cases.

  • 3 authors
·
Jul 12, 2023

Minimum Tuning to Unlock Long Output from LLMs with High Quality Data as the Key

As large language models rapidly evolve to support longer context, there is a notable disparity in their capability to generate output at greater lengths. Recent study suggests that the primary cause for this imbalance may arise from the lack of data with long-output during alignment training. In light of this observation, attempts are made to re-align foundation models with data that fills the gap, which result in models capable of generating lengthy output when instructed. In this paper, we explore the impact of data-quality in tuning a model for long output, and the possibility of doing so from the starting points of human-aligned (instruct or chat) models. With careful data curation, we show that it possible to achieve similar performance improvement in our tuned models, with only a small fraction of training data instances and compute. In addition, we assess the generalizability of such approaches by applying our tuning-recipes to several models. our findings suggest that, while capacities for generating long output vary across different models out-of-the-box, our approach to tune them with high-quality data using lite compute, consistently yields notable improvement across all models we experimented on. We have made public our curated dataset for tuning long-writing capability, the implementations of model tuning and evaluation, as well as the fine-tuned models, all of which can be openly-accessed.

  • 6 authors
·
Oct 14, 2024 2

PhreshPhish: A Real-World, High-Quality, Large-Scale Phishing Website Dataset and Benchmark

Phishing remains a pervasive and growing threat, inflicting heavy economic and reputational damage. While machine learning has been effective in real-time detection of phishing attacks, progress is hindered by lack of large, high-quality datasets and benchmarks. In addition to poor-quality due to challenges in data collection, existing datasets suffer from leakage and unrealistic base rates, leading to overly optimistic performance results. In this paper, we introduce PhreshPhish, a large-scale, high-quality dataset of phishing websites that addresses these limitations. Compared to existing public datasets, PhreshPhish is substantially larger and provides significantly higher quality, as measured by the estimated rate of invalid or mislabeled data points. Additionally, we propose a comprehensive suite of benchmark datasets specifically designed for realistic model evaluation by minimizing leakage, increasing task difficulty, enhancing dataset diversity, and adjustment of base rates more likely to be seen in the real world. We train and evaluate multiple solution approaches to provide baseline performance on the benchmark sets. We believe the availability of this dataset and benchmarks will enable realistic, standardized model comparison and foster further advances in phishing detection. The datasets and benchmarks are available on Hugging Face (https://huggingface.co/datasets/phreshphish/phreshphish).

PhreshPhish
·
Jul 14

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.

Knowledge Transfer from High-Resource to Low-Resource Programming Languages for Code LLMs

Over the past few years, Large Language Models of Code (Code LLMs) have started to have a significant impact on programming practice. Code LLMs are also emerging as a building block for research in programming languages and software engineering. However, the quality of code produced by a Code LLM varies significantly by programming languages. Code LLMs produce impressive results on programming languages that are well represented in their training data (e.g., Java, Python, or JavaScript), but struggle with low-resource languages, like OCaml and Racket. This paper presents an effective approach for boosting the performance of Code LLMs on low-resource languages using semi-synthetic data. Our approach generates high-quality datasets for low-resource languages, which can then be used to fine-tune any pretrained Code LLM. Our approach, called MultiPL-T, translates training data from high-resource languages into training data for low-resource languages. We apply our approach to generate tens of thousands of new, validated training items for Racket, OCaml, and Lua from Python. Moreover, we use an open dataset (The Stack) and model (StarCoderBase), which allow us to decontaminate benchmarks and train models on this data without violating the model license. With MultiPL-T generated data, we present fine-tuned versions of StarCoderBase that achieve state-of-the-art performance for Racket, OCaml, and Lua on benchmark problems. For Lua, our fine-tuned model achieves the same performance as StarCoderBase as Python -- a very high-resource language -- on the MultiPL-E benchmarks. For Racket and OCaml, we double their performance on MultiPL-E, bringing their performance close to higher-resource languages such as Ruby and C#.

  • 8 authors
·
Aug 18, 2023

Off-the-Grid MARL: Datasets with Baselines for Offline Multi-Agent Reinforcement Learning

Being able to harness the power of large datasets for developing cooperative multi-agent controllers promises to unlock enormous value for real-world applications. Many important industrial systems are multi-agent in nature and are difficult to model using bespoke simulators. However, in industry, distributed processes can often be recorded during operation, and large quantities of demonstrative data stored. Offline multi-agent reinforcement learning (MARL) provides a promising paradigm for building effective decentralised controllers from such datasets. However, offline MARL is still in its infancy and therefore lacks standardised benchmark datasets and baselines typically found in more mature subfields of reinforcement learning (RL). These deficiencies make it difficult for the community to sensibly measure progress. In this work, we aim to fill this gap by releasing off-the-grid MARL (OG-MARL): a growing repository of high-quality datasets with baselines for cooperative offline MARL research. Our datasets provide settings that are characteristic of real-world systems, including complex environment dynamics, heterogeneous agents, non-stationarity, many agents, partial observability, suboptimality, sparse rewards and demonstrated coordination. For each setting, we provide a range of different dataset types (e.g. Good, Medium, Poor, and Replay) and profile the composition of experiences for each dataset. We hope that OG-MARL will serve the community as a reliable source of datasets and help drive progress, while also providing an accessible entry point for researchers new to the field.

  • 4 authors
·
Feb 1, 2023

The ParlaSpeech Collection of Automatically Generated Speech and Text Datasets from Parliamentary Proceedings

Recent significant improvements in speech and language technologies come both from self-supervised approaches over raw language data as well as various types of explicit supervision. To ensure high-quality processing of spoken data, the most useful type of explicit supervision is still the alignment between the speech signal and its corresponding text transcript, which is a data type that is not available for many languages. In this paper, we present our approach to building large and open speech-and-text-aligned datasets of less-resourced languages based on transcripts of parliamentary proceedings and their recordings. Our starting point are the ParlaMint comparable corpora of transcripts of parliamentary proceedings of 26 national European parliaments. In the pilot run on expanding the ParlaMint corpora with aligned publicly available recordings, we focus on three Slavic languages, namely Croatian, Polish, and Serbian. The main challenge of our approach is the lack of any global alignment between the ParlaMint texts and the available recordings, as well as the sometimes varying data order in each of the modalities, which requires a novel approach in aligning long sequences of text and audio in a large search space. The results of this pilot run are three high-quality datasets that span more than 5,000 hours of speech and accompanying text transcripts. Although these datasets already make a huge difference in the availability of spoken and textual data for the three languages, we want to emphasize the potential of the presented approach in building similar datasets for many more languages.

  • 3 authors
·
Sep 23, 2024

DATED: Guidelines for Creating Synthetic Datasets for Engineering Design Applications

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

  • 3 authors
·
May 15, 2023

No Language Data Left Behind: A Comparative Study of CJK Language Datasets in the Hugging Face Ecosystem

Recent advances in Natural Language Processing (NLP) have underscored the crucial role of high-quality datasets in building large language models (LLMs). However, while extensive resources and analyses exist for English, the landscape for East Asian languages - particularly Chinese, Japanese, and Korean (CJK) - remains fragmented and underexplored, despite these languages together serving over 1.6 billion speakers. To address this gap, we investigate the HuggingFace ecosystem from a cross-linguistic perspective, focusing on how cultural norms, research environments, and institutional practices shape dataset availability and quality. Drawing on more than 3,300 datasets, we employ quantitative and qualitative methods to examine how these factors drive distinct creation and curation patterns across Chinese, Japanese, and Korean NLP communities. Our findings highlight the large-scale and often institution-driven nature of Chinese datasets, grassroots community-led development in Korean NLP, and an entertainment- and subculture-focused emphasis on Japanese collections. By uncovering these patterns, we reveal practical strategies for enhancing dataset documentation, licensing clarity, and cross-lingual resource sharing - ultimately guiding more effective and culturally attuned LLM development in East Asia. We conclude by discussing best practices for future dataset curation and collaboration, aiming to strengthen resource development across all three languages.

  • 3 authors
·
Jul 6

Data Quality in Imitation Learning

In supervised learning, the question of data quality and curation has been over-shadowed in recent years by increasingly more powerful and expressive models that can ingest internet-scale data. However, in offline learning for robotics, we simply lack internet scale data, and so high quality datasets are a necessity. This is especially true in imitation learning (IL), a sample efficient paradigm for robot learning using expert demonstrations. Policies learned through IL suffer from state distribution shift at test time due to compounding errors in action prediction, which leads to unseen states that the policy cannot recover from. Instead of designing new algorithms to address distribution shift, an alternative perspective is to develop new ways of assessing and curating datasets. There is growing evidence that the same IL algorithms can have substantially different performance across different datasets. This calls for a formalism for defining metrics of "data quality" that can further be leveraged for data curation. In this work, we take the first step toward formalizing data quality for imitation learning through the lens of distribution shift: a high quality dataset encourages the policy to stay in distribution at test time. We propose two fundamental properties that shape the quality of a dataset: i) action divergence: the mismatch between the expert and learned policy at certain states; and ii) transition diversity: the noise present in the system for a given state and action. We investigate the combined effect of these two key properties in imitation learning theoretically, and we empirically analyze models trained on a variety of different data sources. We show that state diversity is not always beneficial, and we demonstrate how action divergence and transition diversity interact in practice.

  • 3 authors
·
Jun 4, 2023

Descriptive Image Quality Assessment in the Wild

With the rapid advancement of Vision Language Models (VLMs), VLM-based Image Quality Assessment (IQA) seeks to describe image quality linguistically to align with human expression and capture the multifaceted nature of IQA tasks. However, current methods are still far from practical usage. First, prior works focus narrowly on specific sub-tasks or settings, which do not align with diverse real-world applications. Second, their performance is sub-optimal due to limitations in dataset coverage, scale, and quality. To overcome these challenges, we introduce Depicted image Quality Assessment in the Wild (DepictQA-Wild). Our method includes a multi-functional IQA task paradigm that encompasses both assessment and comparison tasks, brief and detailed responses, full-reference and non-reference scenarios. We introduce a ground-truth-informed dataset construction approach to enhance data quality, and scale up the dataset to 495K under the brief-detail joint framework. Consequently, we construct a comprehensive, large-scale, and high-quality dataset, named DQ-495K. We also retain image resolution during training to better handle resolution-related quality issues, and estimate a confidence score that is helpful to filter out low-quality responses. Experimental results demonstrate that DepictQA-Wild significantly outperforms traditional score-based methods, prior VLM-based IQA models, and proprietary GPT-4V in distortion identification, instant rating, and reasoning tasks. Our advantages are further confirmed by real-world applications including assessing the web-downloaded images and ranking model-processed images. Datasets and codes will be released in https://depictqa.github.io/depictqa-wild/.

  • 7 authors
·
May 29, 2024

OmniHD-Scenes: A Next-Generation Multimodal Dataset for Autonomous Driving

The rapid advancement of deep learning has intensified the need for comprehensive data for use by autonomous driving algorithms. High-quality datasets are crucial for the development of effective data-driven autonomous driving solutions. Next-generation autonomous driving datasets must be multimodal, incorporating data from advanced sensors that feature extensive data coverage, detailed annotations, and diverse scene representation. To address this need, we present OmniHD-Scenes, a large-scale multimodal dataset that provides comprehensive omnidirectional high-definition data. The OmniHD-Scenes dataset combines data from 128-beam LiDAR, six cameras, and six 4D imaging radar systems to achieve full environmental perception. The dataset comprises 1501 clips, each approximately 30-s long, totaling more than 450K synchronized frames and more than 5.85 million synchronized sensor data points. We also propose a novel 4D annotation pipeline. To date, we have annotated 200 clips with more than 514K precise 3D bounding boxes. These clips also include semantic segmentation annotations for static scene elements. Additionally, we introduce a novel automated pipeline for generation of the dense occupancy ground truth, which effectively leverages information from non-key frames. Alongside the proposed dataset, we establish comprehensive evaluation metrics, baseline models, and benchmarks for 3D detection and semantic occupancy prediction. These benchmarks utilize surround-view cameras and 4D imaging radar to explore cost-effective sensor solutions for autonomous driving applications. Extensive experiments demonstrate the effectiveness of our low-cost sensor configuration and its robustness under adverse conditions. Data will be released at https://www.2077ai.com/OmniHD-Scenes.

  • 13 authors
·
Dec 14, 2024

LEMUR Neural Network Dataset: Towards Seamless AutoML

Neural networks are fundamental in artificial intelligence, driving progress in computer vision and natural language processing. High-quality datasets are crucial for their development, and there is growing interest in datasets composed of neural networks themselves to support benchmarking, automated machine learning (AutoML), and model analysis. We introduce LEMUR, an open source dataset of neural network models with well-structured code for diverse architectures across tasks such as object detection, image classification, segmentation, and natural language processing. LEMUR is primarily designed to provide a rich source of structured model representations and associated performance data, enabling the fine-tuning of large language models for AutoML applications. Leveraging Python and PyTorch, LEMUR enables seamless extension to new datasets and models while maintaining consistency. It integrates an Optuna-powered framework for evaluation, hyperparameter optimization, statistical analysis, and graphical insights. LEMUR VR extension enables the seamless deployment of models in virtual reality, optimizing their performance on resource-constrained devices. Providing tools for model evaluation, preprocessing, and database management, LEMUR supports researchers and practitioners in developing, testing, and analyzing neural networks. It offers an API that delivers comprehensive information about neural network models and their complete performance statistics with a single request, which can be used in experiments with code-generating large language models. The LEMUR and its plugins are accessible as open source projects under the MIT license at https://github.com/ABrain-One/nn-dataset, https://github.com/ABrain-One/nn-plots and https://github.com/ABrain-One/nn-vr.

  • 10 authors
·
Apr 14

AMUSE: Adaptive Multi-Segment Encoding for Dataset Watermarking

Curating high quality datasets that play a key role in the emergence of new AI applications requires considerable time, money, and computational resources. So, effective ownership protection of datasets is becoming critical. Recently, to protect the ownership of an image dataset, imperceptible watermarking techniques are used to store ownership information (i.e., watermark) into the individual image samples. Embedding the entire watermark into all samples leads to significant redundancy in the embedded information which damages the watermarked dataset quality and extraction accuracy. In this paper, a multi-segment encoding-decoding method for dataset watermarking (called AMUSE) is proposed to adaptively map the original watermark into a set of shorter sub-messages and vice versa. Our message encoder is an adaptive method that adjusts the length of the sub-messages according to the protection requirements for the target dataset. Existing image watermarking methods are then employed to embed the sub-messages into the original images in the dataset and also to extract them from the watermarked images. Our decoder is then used to reconstruct the original message from the extracted sub-messages. The proposed encoder and decoder are plug-and-play modules that can easily be added to any watermarking method. To this end, extensive experiments are preformed with multiple watermarking solutions which show that applying AMUSE improves the overall message extraction accuracy upto 28% for the same given dataset quality. Furthermore, the image dataset quality is enhanced by a PSNR of approx2 dB on average, while improving the extraction accuracy for one of the tested image watermarking methods.

  • 4 authors
·
Mar 8, 2024

ChiseLLM: Unleashing the Power of Reasoning LLMs for Chisel Agile Hardware Development

The growing demand for Domain-Specific Architecture (DSA) has driven the development of Agile Hardware Development Methodology (AHDM). Hardware Construction Language (HCL) like Chisel offers high-level abstraction features, making it an ideal language for HCL-Based AHDM. While Large Language Models (LLMs) excel in code generation tasks, they still face challenges with Chisel generation, particularly regarding syntax correctness and design variability. Recent reasoning models have significantly enhanced code generation capabilities through test-time scaling techniques. However, we found that reasoning models without domain adaptation cannot bring substantial benefits to Chisel code generation tasks. This paper presents ChiseLLM, a solution comprising data processing and transformation, prompt-guided reasoning trace synthesis, and domain-adapted model training. We constructed high-quality datasets from public RTL code resources and guided the model to adopt structured thinking patterns through prompt enhancement methods. Experiments demonstrate that our ChiseLLM-7B and ChiseLLM-32B models improved syntax correctness by 18.85% and 26.32% respectively over base models, while increasing variability design ability by 47.58% compared to baseline reasoning models. Our datasets and models are publicly available, providing high-performance, cost-effective models for HCL-Based AHDM, and offering an effective baseline for future research. Github repository: https://github.com/observerw/ChiseLLM

  • 6 authors
·
Apr 27 2

WxC-Bench: A Novel Dataset for Weather and Climate Downstream Tasks

High-quality machine learning (ML)-ready datasets play a foundational role in developing new artificial intelligence (AI) models or fine-tuning existing models for scientific applications such as weather and climate analysis. Unfortunately, despite the growing development of new deep learning models for weather and climate, there is a scarcity of curated, pre-processed machine learning (ML)-ready datasets. Curating such high-quality datasets for developing new models is challenging particularly because the modality of the input data varies significantly for different downstream tasks addressing different atmospheric scales (spatial and temporal). Here we introduce WxC-Bench (Weather and Climate Bench), a multi-modal dataset designed to support the development of generalizable AI models for downstream use-cases in weather and climate research. WxC-Bench is designed as a dataset of datasets for developing ML-models for a complex weather and climate system, addressing selected downstream tasks as machine learning phenomenon. WxC-Bench encompasses several atmospheric processes from meso-beta (20 - 200 km) scale to synoptic scales (2500 km), such as aviation turbulence, hurricane intensity and track monitoring, weather analog search, gravity wave parameterization, and natural language report generation. We provide a comprehensive description of the dataset and also present a technical validation for baseline analysis. The dataset and code to prepare the ML-ready data have been made publicly available on Hugging Face -- https://huggingface.co/datasets/nasa-impact/WxC-Bench

  • 13 authors
·
Dec 3, 2024

Advanced computer vision for extracting georeferenced vehicle trajectories from drone imagery

This paper presents a framework for extracting georeferenced vehicle trajectories from high-altitude drone imagery, addressing key challenges in urban traffic monitoring and the limitations of traditional ground-based systems. Our approach integrates several novel contributions, including a tailored object detector optimized for high-altitude bird's-eye view perspectives, a unique track stabilization method that uses detected vehicle bounding boxes as exclusion masks during image registration, and an orthophoto and master frame-based georeferencing strategy that enhances consistent alignment across multiple drone viewpoints. Additionally, our framework features robust vehicle dimension estimation and detailed road segmentation, enabling comprehensive traffic analysis. Conducted in the Songdo International Business District, South Korea, the study utilized a multi-drone experiment covering 20 intersections, capturing approximately 12TB of 4K video data over four days. The framework produced two high-quality datasets: the Songdo Traffic dataset, comprising approximately 700,000 unique vehicle trajectories, and the Songdo Vision dataset, containing over 5,000 human-annotated images with about 300,000 vehicle instances in four classes. Comparisons with high-precision sensor data from an instrumented probe vehicle highlight the accuracy and consistency of our extraction pipeline in dense urban environments. The public release of Songdo Traffic and Songdo Vision, and the complete source code for the extraction pipeline, establishes new benchmarks in data quality, reproducibility, and scalability in traffic research. Results demonstrate the potential of integrating drone technology with advanced computer vision for precise and cost-effective urban traffic monitoring, providing valuable resources for developing intelligent transportation systems and enhancing traffic management strategies.

  • 4 authors
·
Nov 4, 2024

The rise of data-driven weather forecasting

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

  • 17 authors
·
Jul 19, 2023

Alif: Advancing Urdu Large Language Models via Multilingual Synthetic Data Distillation

Developing a high-performing large language models (LLMs) for low-resource languages such as Urdu, present several challenges. These challenges include the scarcity of high-quality datasets, multilingual inconsistencies, and safety concerns. Existing multilingual LLMs often address these issues by translating large volumes of available data. However, such translations often lack quality and cultural nuance while also incurring significant costs for data curation and training. To address these issues, we propose Alif-1.0-8B-Instruct, a multilingual Urdu-English model, that tackles these challenges with a unique approach. We train the model on a high-quality, multilingual synthetic dataset (Urdu-Instruct), developed using a modified self-instruct technique. By using unique prompts and seed values for each task along with a global task pool, this dataset incorporates Urdu-native chain-of-thought based reasoning, bilingual translation, cultural relevance, and ethical safety alignments. This technique significantly enhances the comprehension of Alif-1.0-8B-Instruct model for Urdu-specific tasks. As a result, Alif-1.0-8B-Instruct, built upon the pretrained Llama-3.1-8B, demonstrates superior performance compared to Llama-3.1-8B-Instruct for Urdu specific-tasks. It also outperformed leading multilingual LLMs, including Mistral-7B-Instruct-v0.3, Qwen-2.5-7B-Instruct, and Cohere-Aya-Expanse-8B, all within a training budget of under $100. Our results demonstrate that high-performance and low-resource language LLMs can be developed efficiently and culturally aligned using our modified self-instruct approach. All datasets, models, and code are publicly available at: https://github.com/traversaal-ai/alif-urdu-llm.

  • 6 authors
·
Oct 10

Lay2Story: Extending Diffusion Transformers for Layout-Togglable Story Generation

Storytelling tasks involving generating consistent subjects have gained significant attention recently. However, existing methods, whether training-free or training-based, continue to face challenges in maintaining subject consistency due to the lack of fine-grained guidance and inter-frame interaction. Additionally, the scarcity of high-quality data in this field makes it difficult to precisely control storytelling tasks, including the subject's position, appearance, clothing, expression, and posture, thereby hindering further advancements. In this paper, we demonstrate that layout conditions, such as the subject's position and detailed attributes, effectively facilitate fine-grained interactions between frames. This not only strengthens the consistency of the generated frame sequence but also allows for precise control over the subject's position, appearance, and other key details. Building on this, we introduce an advanced storytelling task: Layout-Togglable Storytelling, which enables precise subject control by incorporating layout conditions. To address the lack of high-quality datasets with layout annotations for this task, we develop Lay2Story-1M, which contains over 1 million 720p and higher-resolution images, processed from approximately 11,300 hours of cartoon videos. Building on Lay2Story-1M, we create Lay2Story-Bench, a benchmark with 3,000 prompts designed to evaluate the performance of different methods on this task. Furthermore, we propose Lay2Story, a robust framework based on the Diffusion Transformers (DiTs) architecture for Layout-Togglable Storytelling tasks. Through both qualitative and quantitative experiments, we find that our method outperforms the previous state-of-the-art (SOTA) techniques, achieving the best results in terms of consistency, semantic correlation, and aesthetic quality.

  • 7 authors
·
Aug 12

MCM-DPO: Multifaceted Cross-Modal Direct Preference Optimization for Alt-text Generation

The alt-text generation task produces concise, context-relevant descriptions of images, enabling blind and low-vision users to access online images. Despite the capabilities of large vision-language models, alt-text generation performance remains limited due to noisy user annotations, inconsistent standards, and MLLMs' insensitivity to contextual information. Previous efforts to fine-tune MLLMs using supervised fine-tuning (SFT) have struggled, as SFT relies on accurate target annotations, which are often flawed in user-generated alt-text. To address this, we propose Multi-faceted Cross-modal Direct Preference Optimization (MCM-DPO), which improves alt-text generation by learning to identify better options in preference pairs without requiring precise annotations. MCM-DPO optimizes preferences across single, paired, and multi-preference dimensions, covering textual, visual, and cross-modal factors. In light of the scarcity of high-quality annotated and preference-labeled datasets for alt-text, we constructed two large-scale, high-quality datasets named TAlt and PAlt, sourced from Twitter and Pinterest. These datasets include 202k annotated alt-text samples and 18k preference pairs that cover diverse preference dimensions, aiming to support further research in this domain. Experimental results show that our proposed MCM-DPO method consistently outperforms both DPO and SFT, establishing a new state of the art in alt-text generation. We release the code and data here: https://github.com/LVUGAI/MCM-DPO

  • 7 authors
·
Oct 1

Solving Inequality Proofs with Large Language Models

Inequality proving, crucial across diverse scientific and mathematical fields, tests advanced reasoning skills such as discovering tight bounds and strategic theorem application. This makes it a distinct, demanding frontier for large language models (LLMs), offering insights beyond general mathematical problem-solving. Progress in this area is hampered by existing datasets that are often scarce, synthetic, or rigidly formal. We address this by proposing an informal yet verifiable task formulation, recasting inequality proving into two automatically checkable subtasks: bound estimation and relation prediction. Building on this, we release IneqMath, an expert-curated dataset of Olympiad-level inequalities, including a test set and training corpus enriched with step-wise solutions and theorem annotations. We also develop a novel LLM-as-judge evaluation framework, combining a final-answer judge with four step-wise judges designed to detect common reasoning flaws. A systematic evaluation of 29 leading LLMs on IneqMath reveals a surprising reality: even top models like o1 achieve less than 10% overall accuracy under step-wise scrutiny; this is a drop of up to 65.5% from their accuracy considering only final answer equivalence. This discrepancy exposes fragile deductive chains and a critical gap for current LLMs between merely finding an answer and constructing a rigorous proof. Scaling model size and increasing test-time computation yield limited gains in overall proof correctness. Instead, our findings highlight promising research directions such as theorem-guided reasoning and self-refinement. Code and data are available at https://ineqmath.github.io/.

  • 7 authors
·
Jun 9 2

Qilin: A Multimodal Information Retrieval Dataset with APP-level User Sessions

User-generated content (UGC) communities, especially those featuring multimodal content, improve user experiences by integrating visual and textual information into results (or items). The challenge of improving user experiences in complex systems with search and recommendation (S\&R) services has drawn significant attention from both academia and industry these years. However, the lack of high-quality datasets has limited the research progress on multimodal S\&R. To address the growing need for developing better S\&R services, we present a novel multimodal information retrieval dataset in this paper, namely Qilin. The dataset is collected from Xiaohongshu, a popular social platform with over 300 million monthly active users and an average search penetration rate of over 70\%. In contrast to existing datasets, Qilin offers a comprehensive collection of user sessions with heterogeneous results like image-text notes, video notes, commercial notes, and direct answers, facilitating the development of advanced multimodal neural retrieval models across diverse task settings. To better model user satisfaction and support the analysis of heterogeneous user behaviors, we also collect extensive APP-level contextual signals and genuine user feedback. Notably, Qilin contains user-favored answers and their referred results for search requests triggering the Deep Query Answering (DQA) module. This allows not only the training \& evaluation of a Retrieval-augmented Generation (RAG) pipeline, but also the exploration of how such a module would affect users' search behavior. Through comprehensive analysis and experiments, we provide interesting findings and insights for further improving S\&R systems. We hope that Qilin will significantly contribute to the advancement of multimodal content platforms with S\&R services in the future.

UI-JEPA: Towards Active Perception of User Intent through Onscreen User Activity

Generating user intent from a sequence of user interface (UI) actions is a core challenge in comprehensive UI understanding. Recent advancements in multimodal large language models (MLLMs) have led to substantial progress in this area, but their demands for extensive model parameters, computing power, and high latency makes them impractical for scenarios requiring lightweight, on-device solutions with low latency or heightened privacy. Additionally, the lack of high-quality datasets has hindered the development of such lightweight models. To address these challenges, we propose UI-JEPA, a novel framework that employs masking strategies to learn abstract UI embeddings from unlabeled data through self-supervised learning, combined with an LLM decoder fine-tuned for user intent prediction. We also introduce two new UI-grounded multimodal datasets, "Intent in the Wild" (IIW) and "Intent in the Tame" (IIT), designed for few-shot and zero-shot UI understanding tasks. IIW consists of 1.7K videos across 219 intent categories, while IIT contains 914 videos across 10 categories. We establish the first baselines for these datasets, showing that representations learned using a JEPA-style objective, combined with an LLM decoder, can achieve user intent predictions that match the performance of state-of-the-art large MLLMs, but with significantly reduced annotation and deployment resources. Measured by intent similarity scores, UI-JEPA outperforms GPT-4 Turbo and Claude 3.5 Sonnet by 10.0% and 7.2% respectively, averaged across two datasets. Notably, UI-JEPA accomplishes the performance with a 50.5x reduction in computational cost and a 6.6x improvement in latency in the IIW dataset. These results underscore the effectiveness of UI-JEPA, highlighting its potential for lightweight, high-performance UI understanding.

  • 5 authors
·
Sep 6, 2024

Increasing Diversity While Maintaining Accuracy: Text Data Generation with Large Language Models and Human Interventions

Large language models (LLMs) can be used to generate text data for training and evaluating other models. However, creating high-quality datasets with LLMs can be challenging. In this work, we explore human-AI partnerships to facilitate high diversity and accuracy in LLM-based text data generation. We first examine two approaches to diversify text generation: 1) logit suppression, which minimizes the generation of languages that have already been frequently generated, and 2) temperature sampling, which flattens the token sampling probability. We found that diversification approaches can increase data diversity but often at the cost of data accuracy (i.e., text and labels being appropriate for the target domain). To address this issue, we examined two human interventions, 1) label replacement (LR), correcting misaligned labels, and 2) out-of-scope filtering (OOSF), removing instances that are out of the user's domain of interest or to which no considered label applies. With oracle studies, we found that LR increases the absolute accuracy of models trained with diversified datasets by 14.4%. Moreover, we found that some models trained with data generated with LR interventions outperformed LLM-based few-shot classification. In contrast, OOSF was not effective in increasing model accuracy, implying the need for future work in human-in-the-loop text data generation.

  • 3 authors
·
Jun 7, 2023

How much is a noisy image worth? Data Scaling Laws for Ambient Diffusion

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.

  • 3 authors
·
Nov 4, 2024

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

InfiMM-WebMath-40B: Advancing Multimodal Pre-Training for Enhanced Mathematical Reasoning

Pre-training on large-scale, high-quality datasets is crucial for enhancing the reasoning capabilities of Large Language Models (LLMs), especially in specialized domains such as mathematics. Despite the recognized importance, the Multimodal LLMs (MLLMs) field currently lacks a comprehensive open-source pre-training dataset specifically designed for mathematical reasoning. To address this gap, we introduce InfiMM-WebMath-40B, a high-quality dataset of interleaved image-text documents. It comprises 24 million web pages, 85 million associated image URLs, and 40 billion text tokens, all meticulously extracted and filtered from CommonCrawl. We provide a detailed overview of our data collection and processing pipeline. To demonstrate the robustness of InfiMM-WebMath-40B, we conducted evaluations in both text-only and multimodal settings. Our evaluations on text-only benchmarks show that, despite utilizing only 40 billion tokens, our dataset significantly enhances the performance of our 1.3B model, delivering results comparable to DeepSeekMath-1.3B, which uses 120 billion tokens for the same model size. Nevertheless, with the introduction of our multi-modal math pre-training dataset, our models set a new state-of-the-art among open-source models on multi-modal math benchmarks such as MathVerse and We-Math. We release our data at https://huggingface.co/datasets/Infi-MM/InfiMM-WebMath-40B.

  • 11 authors
·
Sep 19, 2024 4

SmartBench: Is Your LLM Truly a Good Chinese Smartphone Assistant?

Large Language Models (LLMs) have become integral to daily life, especially advancing as intelligent assistants through on-device deployment on smartphones. However, existing LLM evaluation benchmarks predominantly focus on objective tasks like mathematics and coding in English, which do not necessarily reflect the practical use cases of on-device LLMs in real-world mobile scenarios, especially for Chinese users. To address these gaps, we introduce SmartBench, the first benchmark designed to evaluate the capabilities of on-device LLMs in Chinese mobile contexts. We analyze functionalities provided by representative smartphone manufacturers and divide them into five categories: text summarization, text Q&A, information extraction, content creation, and notification management, further detailed into 20 specific tasks. For each task, we construct high-quality datasets comprising 50 to 200 question-answer pairs that reflect everyday mobile interactions, and we develop automated evaluation criteria tailored for these tasks. We conduct comprehensive evaluations of on-device LLMs and MLLMs using SmartBench and also assess their performance after quantized deployment on real smartphone NPUs. Our contributions provide a standardized framework for evaluating on-device LLMs in Chinese, promoting further development and optimization in this critical area. Code and data will be available at https://github.com/vivo-ai-lab/SmartBench.

  • 7 authors
·
Mar 7

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

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

  • 18 authors
·
Aug 20, 2024

LIFT the Veil for the Truth: Principal Weights Emerge after Rank Reduction for Reasoning-Focused Supervised Fine-Tuning

Recent studies have shown that supervised fine-tuning of LLMs on a small number of high-quality datasets can yield strong reasoning capabilities. However, full fine-tuning (Full FT), while powerful, is computationally expensive and susceptible to overfitting and catastrophic forgetting, particularly when data is limited. Sparse fine-tuning, which previously achieved notable success by updating only a small subset of model parameters, offers a promising trade-off between efficiency and effectiveness. Yet, it has lagged behind in the LLM era due to the difficulty of identifying parameters truly critical for reasoning. In this work, we state that weights with the largest magnitude after low-rank approximation are critical weights for fine-tuning, which we call Principal Weights. Surprisingly, while magnitude-based sparse fine-tuning performs poorly as a baseline on LLM fine-tuning, it becomes highly effective after rank reduction. These insights motivate our method: Low-rank Informed Sparse Fine-Tuning (LIFT). LIFT only updates the top 5% Principal Weights throughout training and consistently achieves better performance on reasoning tasks than Full FT, while maintaining memory efficiency on par with popular parameter-efficient fine-tuning methods. In addition to strong performance on target domains such as arithmetic reasoning, LIFT also retains up to 20% more source-domain knowledge, compared to Full FT and LoRA. Our code is available at: https://github.com/zihanghliu/LIFT.

  • 8 authors
·
May 31 2

Open-o3 Video: Grounded Video Reasoning with Explicit Spatio-Temporal Evidence

Most video reasoning models only generate textual reasoning traces without indicating when and where key evidence appears. Recent models such as OpenAI-o3 have sparked wide interest in evidence-centered reasoning for images, yet extending this ability to videos is more challenging, as it requires joint temporal tracking and spatial localization across dynamic scenes. We introduce Open-o3 Video, a non-agent framework that integrates explicit spatio-temporal evidence into video reasoning, and carefully collect training data and design training strategies to address the aforementioned challenges. The model highlights key timestamps, objects, and bounding boxes alongside its answers, allowing reasoning to be grounded in concrete visual observations. To enable this functionality, we first curate and build two high-quality datasets, STGR-CoT-30k for SFT and STGR-RL-36k for RL, with carefully constructed temporal and spatial annotations, since most existing datasets offer either temporal spans for videos or spatial boxes on images, lacking unified spatio-temporal supervision and reasoning traces. Then, we adopt a cold-start reinforcement learning strategy with multiple specially designed rewards that jointly encourage answer accuracy, temporal alignment, and spatial precision. On V-STAR benchmark, Open-o3 Video achieves state-of-the-art performance, raising mAM by 14.4% and mLGM by 24.2% on the Qwen2.5-VL baseline. Consistent improvements are also observed on a broad range of video understanding benchmarks, including VideoMME, WorldSense, VideoMMMU, and TVGBench. Beyond accuracy, the reasoning traces produced by Open-o3 Video also provide valuable signals for test-time scaling, enabling confidence-aware verification and improving answer reliability.

ByteDance ByteDance
·
Oct 23 3

Socratic-Zero : Bootstrapping Reasoning via Data-Free Agent Co-evolution

Recent breakthroughs in large language models (LLMs) on reasoning tasks rely heavily on massive, high-quality datasets-typically human-annotated and thus difficult to scale. While data synthesis or distillation offers a promising alternative, existing methods struggle with inconsistent data quality and an inability to dynamically adapt to the evolving capabilities of the model, leading to suboptimal training signals. To address these limitations, we introduce Socratic-Zero, a fully autonomous framework that generates high-quality training data from minimal seed examples through the co-evolution of three agents: the Teacher, the Solver, and the Generator. The Solver continuously refines its reasoning by learning from preference feedback on both successful and failed trajectories; the Teacher adaptively crafts increasingly challenging questions based on the Solver's weaknesses; and the Generator distills the Teacher's question-design strategy to enable scalable, high-fidelity curriculum generation. This closed-loop system produces a self-improving curriculum-requiring no pre-existing tasks or labels. Remarkably, starting from only 100 seed questions, our Socratic-Solver-8B achieves an average gain of +20.2 percentage points over prior data synthesis methods across seven mathematical reasoning benchmarks (AMC23, AIME24-25, Olympiad, MATH-500, Minerva, and GSM8K), with consistent gains on both Qwen3 and GLM4 series models. Even more surprisingly, synthetic data from Socratic-Generator-32B enables student LLMs to achieve superior performance compared to other state-of-the-art (SOTA) commercial LLMs on these benchmarks, including Qwen3-235B-A22B, DeepSeek-V3.1-671B, GPT-5, Gemini-2.5-Pro, Grok-4, and Claude-4.1-Opus.

alibaba-inc alibaba-inc
·
Sep 29 1

THOR: Tool-Integrated Hierarchical Optimization via RL for Mathematical Reasoning

Large Language Models (LLMs) have made remarkable progress in mathematical reasoning, but still continue to struggle with high-precision tasks like numerical computation and formal symbolic manipulation. Integrating external tools has emerged as a promising approach to bridge this gap. Despite recent advances, existing methods struggle with three key challenges: constructing tool-integrated reasoning data, performing fine-grained optimization, and enhancing inference. To overcome these limitations, we propose THOR (Tool-Integrated Hierarchical Optimization via RL). First, we introduce TIRGen, a multi-agent actor-critic-based pipeline for constructing high-quality datasets of tool-integrated reasoning paths, aligning with the policy and generalizing well across diverse models. Second, to perform fine-grained hierarchical optimization, we introduce an RL strategy that jointly optimizes for both trajectory-level problem solving and step-level code generation. This is motivated by our key insight that the success of an intermediate tool call is a strong predictor of the final answer's correctness. Finally, THOR incorporates a self-correction mechanism that leverages immediate tool feedback to dynamically revise erroneous reasoning paths during inference. Our approach demonstrates strong generalization across diverse models, performing effectively in both reasoning and non-reasoning models. It further achieves state-of-the-art performance for models of a similar scale on multiple mathematical benchmarks, while also delivering consistent improvements on code benchmarks. Our code will be publicly available at https://github.com/JingMog/THOR.

  • 9 authors
·
Sep 17 2

Leveraging Online Olympiad-Level Math Problems for LLMs Training and Contamination-Resistant Evaluation

Advances in Large Language Models (LLMs) have sparked interest in their ability to solve Olympiad-level math problems. However, the training and evaluation of these models are constrained by the limited size and quality of available datasets, as creating large-scale data for such advanced problems requires extensive effort from human experts. In addition, current benchmarks are prone to contamination, leading to unreliable evaluations. In this paper, we present an automated pipeline that leverages the rich resources of the Art of Problem Solving (AoPS) forum, which predominantly features Olympiad-level problems and community-driven solutions. Using open-source LLMs, we develop a method to extract question-answer pairs from the forum, resulting in AoPS-Instruct, a dataset of more than 600,000 high-quality QA pairs. Our experiments demonstrate that fine-tuning LLMs on AoPS-Instruct improves their reasoning abilities across various benchmarks. Moreover, we build an automatic pipeline that introduces LiveAoPSBench, an evolving evaluation set with timestamps, derived from the latest forum data, providing a contamination-resistant benchmark for assessing LLM performance. Notably, we observe a significant decline in LLM performance over time, suggesting their success on older examples may stem from pre-training exposure rather than true reasoning ability. Our work presents a scalable approach to creating and maintaining large-scale, high-quality datasets for advanced math reasoning, offering valuable insights into the capabilities and limitations of LLMs in this domain. Our benchmark and code is available at https://github.com/DSL-Lab/aops

  • 6 authors
·
Jan 24

CI-VID: A Coherent Interleaved Text-Video Dataset

Text-to-video (T2V) generation has recently attracted considerable attention, resulting in the development of numerous high-quality datasets that have propelled progress in this area. However, existing public datasets are primarily composed of isolated text-video (T-V) pairs and thus fail to support the modeling of coherent multi-clip video sequences. To address this limitation, we introduce CI-VID, a dataset that moves beyond isolated text-to-video (T2V) generation toward text-and-video-to-video (TV2V) generation, enabling models to produce coherent, multi-scene video sequences. CI-VID contains over 340,000 samples, each featuring a coherent sequence of video clips with text captions that capture both the individual content of each clip and the transitions between them, enabling visually and textually grounded generation. To further validate the effectiveness of CI-VID, we design a comprehensive, multi-dimensional benchmark incorporating human evaluation, VLM-based assessment, and similarity-based metrics. Experimental results demonstrate that models trained on CI-VID exhibit significant improvements in both accuracy and content consistency when generating video sequences. This facilitates the creation of story-driven content with smooth visual transitions and strong temporal coherence, underscoring the quality and practical utility of the CI-VID dataset We release the CI-VID dataset and the accompanying code for data construction and evaluation at: https://github.com/ymju-BAAI/CI-VID

  • 10 authors
·
Jul 2

A Benchmark for Quantum Chemistry Relaxations via Machine Learning Interatomic Potentials

Computational quantum chemistry plays a critical role in drug discovery, chemical synthesis, and materials science. While first-principles methods, such as density functional theory (DFT), provide high accuracy in modeling electronic structures and predicting molecular properties, they are computationally expensive. Machine learning interatomic potentials (MLIPs) have emerged as promising surrogate models that aim to achieve DFT-level accuracy while enabling efficient large-scale atomistic simulations. The development of accurate and transferable MLIPs requires large-scale, high-quality datasets with both energy and force labels. Critically, MLIPs must generalize not only to stable geometries but also to intermediate, non-equilibrium conformations encountered during atomistic simulations. In this work, we introduce PubChemQCR, a large-scale dataset of molecular relaxation trajectories curated from the raw geometry optimization outputs of the PubChemQC project. PubChemQCR is the largest publicly available dataset of DFT-based relaxation trajectories for small organic molecules, comprising approximately 3.5 million trajectories and over 300 million molecular conformations computed at various levels of theory. Each conformation is labeled with both total energy and atomic forces, making the dataset suitable for training and evaluating MLIPs. To provide baselines for future developments, we benchmark nine representative MLIP models on the dataset. Our resources are publicly available at https://huggingface.co/divelab

  • 11 authors
·
Jun 28

OptMATH: A Scalable Bidirectional Data Synthesis Framework for Optimization Modeling

Despite the rapid development of large language models (LLMs), a fundamental challenge persists: the lack of high-quality optimization modeling datasets hampers LLMs' robust modeling of practical optimization problems from natural language descriptions (NL). This data scarcity also contributes to the generalization difficulties experienced by learning-based methods. To address these challenges, we propose a scalable framework for synthesizing a high-quality dataset, named OptMATH. Starting from curated seed data with mathematical formulations (MF), this framework automatically generates problem data (PD) with controllable complexity. Then, a back-translation step is employed to obtain NL. To verify the correspondence between the NL and the PD, a forward modeling step followed by rejection sampling is used. The accepted pairs constitute the training part of OptMATH. Then a collection of rejected pairs is identified and further filtered. This collection serves as a new benchmark for optimization modeling, containing difficult instances whose lengths are much longer than these of NL4OPT and MAMO. Through extensive experiments, we demonstrate that models of various sizes (0.5B-32B parameters) trained on OptMATH achieve superior results on multiple modeling benchmarks, thereby validating the effectiveness and scalability of our approach. Our dataset is publicly available at https://github.com/AuroraLHL/OptMATH.

  • 6 authors
·
Feb 16

What's Wrong with Your Code Generated by Large Language Models? An Extensive Study

The increasing development of large language models (LLMs) in code generation has drawn significant attention among researchers. To enhance LLM-based code generation ability, current efforts are predominantly directed towards collecting high-quality datasets and leveraging diverse training technologies. However, there is a notable lack of comprehensive studies examining the limitations and boundaries of these existing methods. To bridge this gap, we conducted an extensive empirical study evaluating the performance of three leading closed-source LLMs and four popular open-source LLMs on three commonly used benchmarks. Our investigation, which evaluated the length, cyclomatic complexity and API number of the generated code, revealed that these LLMs face challenges in generating successful code for more complex problems, and tend to produce code that is shorter yet more complicated as compared to canonical solutions. Additionally, we developed a taxonomy of bugs for incorrect codes that includes three categories and 12 sub-categories, and analyze the root cause for common bug types. Furthermore, to better understand the performance of LLMs in real-world projects, we manually created a real-world benchmark comprising 140 code generation tasks. Our analysis highlights distinct differences in bug distributions between actual scenarios and existing benchmarks. Finally, we propose a novel training-free iterative method that introduces self-critique, enabling LLMs to critique and correct their generated code based on bug types and compiler feedback. Experimental results demonstrate that our approach can significantly mitigate bugs and increase the passing rate by 29.2% after two iterations, indicating substantial potential for LLMs to handle more complex problems.

  • 24 authors
·
Jul 8, 2024