Daily Papers

Scientific knowledge is a key driver of technological innovation, shaping industrial development and policy decisions worldwide. Understanding how patents incorporate scientific research is essential for assessing the role of academic discoveries in technological progress. Non-Patent References (NPRs) provide a useful indicator of this relationship by revealing the extent to which patents draw upon scientific literature. Here, we show that reliance on scientific research in patents varies significantly across regions. Oceania and Europe display stronger engagement with scientific knowledge, while the Americas exhibit lower reliance. Moreover, NPRs are more likely to be open access than the average scientific publication, a trend that intensifies when Sci-Hub availability is considered. These results highlight the transformative impact of Open Science on global innovation dynamics. By facilitating broader access to research, Open Science strengthens the link between academia and industry, underscoring the need for policies that promote equitable and science-based innovation, particularly in developing regions.

Is natural-language-driven earth observation data analysis now feasible with the assistance of Large Language Models (LLMs)? For open science in service of public interest, feasibility requires reliably high accuracy, interactive latencies, low (sustainable) costs, open LLMs, and openly maintainable software -- hence, the challenge. What are the techniques and programming system requirements necessary for satisfying these constraints, and what is the corresponding development and maintenance burden in practice? This study lays the groundwork for exploring these questions, introducing an impactful earth science use-case, and providing a software framework with evaluation data and metrics, along with initial results from employing model scaling, prompt-optimization, and inference-time scaling optimization techniques. While we attain high accuracy (near 100%) across 10 of 11 metrics, the analysis further considers cost (token-spend), latency, and maintainability across this space of techniques. Finally, we enumerate opportunities for further research, general programming and evaluation framework development, and ongoing work for a comprehensive, deployable solution. This is a call for collaboration and contribution.

Next-generation telescopes will bring groundbreaking discoveries but they will also present new technological challenges. The Square Kilometre Array Observatory (SKAO) will be one of the most demanding scientific infrastructures, with a projected data output of 700 PB per year to be distributed to a network of SKA Regional Centres. Current tools are not fully suited to manage such massive data volumes, therefore, new research is required to transform science archives from data providers into service providers. In this paper we examine how a science archive can deliver advanced visualisation capabilities for the SKA science archive. In particular, we have conducted a thorough exploration of existing visualisation software for astronomy and other fields to identify tools capable of addressing Big Data requirements. Using selected technologies, we have developed a prototype archive that provides access to interactive visualisations of 3D radio data through web-based interfaces, adhering to International Virtual Observatory Alliance (IVOA) recommendations to favour interoperability and Open Science practices. In addition, we discuss how current IVOA recommendations support these visualisation capabilities and how they could be expanded. Our prototype archive includes a service to generate 3D models on the fly as a server operation, enabling remote visualisations in a flexible manner; for instance, a set of parameters can be used to customise the models and their visualisation. We have used SKA precursor and pathfinder data to test its usability and scalability, concluding that remote visualisation is a viable solution for handling high-volume data. However, our prototype is constrained by memory limitations, requiring techniques to reduce memory usage.

Over the past two years, EleutherAI has established itself as a radically novel initiative aimed at both promoting open-source research and conducting research in a transparent, openly accessible and collaborative manner. EleutherAI's approach to research goes beyond transparency: by doing research entirely in public, anyone in the world can observe and contribute at every stage. Our work has been received positively and has resulted in several high-impact projects in Natural Language Processing and other fields. In this paper, we describe our experience doing public-facing machine learning research, the benefits we believe this approach brings, and the pitfalls we have encountered.

Closed-loop brain stimulation refers to capturing neurophysiological measures such as electroencephalography (EEG), quickly identifying neural events of interest, and producing auditory, magnetic or electrical stimulation so as to interact with brain processes precisely. It is a promising new method for fundamental neuroscience and perhaps for clinical applications such as restoring degraded memory function; however, existing tools are expensive, cumbersome, and offer limited experimental flexibility. In this article, we propose the Portiloop, a deep learning-based, portable and low-cost closed-loop stimulation system able to target specific brain oscillations. We first document open-hardware implementations that can be constructed from commercially available components. We also provide a fast, lightweight neural network model and an exploration algorithm that automatically optimizes the model hyperparameters to the desired brain oscillation. Finally, we validate the technology on a challenging test case of real-time sleep spindle detection, with results comparable to off-line expert performance on the Massive Online Data Annotation spindle dataset (MODA; group consensus). Software and plans are available to the community as an open science initiative to encourage further development and advance closed-loop neuroscience research.

The development of speech foundation models (SFMs) like Whisper and SeamlessM4T has significantly advanced the field of speech processing. However, their closed nature--with inaccessible training data and code--poses major reproducibility and fair evaluation challenges. While other domains have made substantial progress toward open science by developing fully transparent models trained on open-source (OS) code and data, similar efforts in speech remain limited. To fill this gap, we introduce FAMA, the first family of open science SFMs for English and Italian, trained on 150k+ hours of OS speech data. Moreover, we present a new dataset containing 16k hours of cleaned and pseudo-labeled speech for both languages. Results show that FAMA achieves competitive performance compared to existing SFMs while being up to 8 times faster. All artifacts, including code, datasets, and models, are released under OS-compliant licenses, promoting openness in speech technology research.

In this work, we study how URL extraction results depend on input format. We compiled a pilot dataset by extracting URLs from 10 arXiv papers and used the same heuristic method to extract URLs from four formats derived from the PDF files or the source LaTeX files. We found that accurate and complete URL extraction from any single format or a combination of multiple formats is challenging, with the best F1-score of 0.71. Using the pilot dataset, we evaluate extraction performance across formats and show that structured formats like HTML and XML produce more accurate results than PDFs or Text. Combining multiple formats improves coverage, especially when targeting research-critical resources. We further apply URL extraction on two tasks, namely classifying URLs into open-access datasets and software and the others, and analyzing the trend of URLs usage in arXiv papers from 1992 to 2024. These results suggest that using a combination of multiple formats achieves better performance on URL extraction than a single format, and the number of URLs in arXiv papers has been steadily increasing since 1992 to 2014 and has been drastically increasing from 2014 to 2024. The dataset and the Jupyter notebooks used for the preliminary analysis are publicly available at https://github.com/lamps-lab/arxiv-urls

We present ACL OCL, a scholarly corpus derived from the ACL Anthology to assist Open scientific research in the Computational Linguistics domain. Integrating and enhancing the previous versions of the ACL Anthology, the ACL OCL contributes metadata, PDF files, citation graphs and additional structured full texts with sections, figures, and links to a large knowledge resource (Semantic Scholar). The ACL OCL spans seven decades, containing 73K papers, alongside 210K figures. We spotlight how ACL OCL applies to observe trends in computational linguistics. By detecting paper topics with a supervised neural model, we note that interest in "Syntax: Tagging, Chunking and Parsing" is waning and "Natural Language Generation" is resurging. Our dataset is available from HuggingFace (https://huggingface.co/datasets/WINGNUS/ACL-OCL).

We introduce InternVL3, a significant advancement in the InternVL series featuring a native multimodal pre-training paradigm. Rather than adapting a text-only large language model (LLM) into a multimodal large language model (MLLM) that supports visual inputs, InternVL3 jointly acquires multimodal and linguistic capabilities from both diverse multimodal data and pure-text corpora during a single pre-training stage. This unified training paradigm effectively addresses the complexities and alignment challenges commonly encountered in conventional post-hoc training pipelines for MLLMs. To further improve performance and scalability, InternVL3 incorporates variable visual position encoding (V2PE) to support extended multimodal contexts, employs advanced post-training techniques such as supervised fine-tuning (SFT) and mixed preference optimization (MPO), and adopts test-time scaling strategies alongside an optimized training infrastructure. Extensive empirical evaluations demonstrate that InternVL3 delivers superior performance across a wide range of multi-modal tasks. In particular, InternVL3-78B achieves a score of 72.2 on the MMMU benchmark, setting a new state-of-the-art among open-source MLLMs. Its capabilities remain highly competitive with leading proprietary models, including ChatGPT-4o, Claude 3.5 Sonnet, and Gemini 2.5 Pro, while also maintaining strong pure-language proficiency. In pursuit of open-science principles, we will publicly release both the training data and model weights to foster further research and development in next-generation MLLMs.

Recently, Large Language Models (LLMs) have undergone a significant transformation, marked by a rapid rise in both their popularity and capabilities. Leading this evolution are proprietary LLMs like GPT-4 and GPT-o1, which have captured widespread attention in the AI community due to their remarkable performance and versatility. Simultaneously, open-source LLMs, such as LLaMA and Mistral, have made great contributions to the ever-increasing popularity of LLMs due to the ease to customize and deploy the models across diverse applications. Although open-source LLMs present unprecedented opportunities for innovation and research, the commercialization of LLMs has raised concerns about transparency, reproducibility, and safety. Many open-source LLMs fail to meet fundamental transparency requirements by withholding essential components like training code and data, and some use restrictive licenses whilst claiming to be "open-source," which may hinder further innovations on LLMs. To mitigate this issue, we introduce Moxin 7B, a fully open-source LLM developed in accordance with the Model Openness Framework (MOF), a ranked classification system that evaluates AI models based on model completeness and openness, adhering to principles of open science, open source, open data, and open access. Our model achieves the highest MOF classification level of "open science" through the comprehensive release of pre-training code and configurations, training and fine-tuning datasets, and intermediate and final checkpoints. Experiments show that our model achieves superior performance in zero-shot evaluation compared with popular 7B models and performs competitively in few-shot evaluation.

The persisting threats on migratory bird populations highlight the urgent need for effective monitoring techniques that could assist in their conservation. Among these, passive acoustic monitoring is an essential tool, particularly for nocturnal migratory species that are difficult to track otherwise. This work presents the Nocturnal Bird Migration (NBM) dataset, a collection of 13,359 annotated vocalizations from 117 species of the Western Palearctic. The dataset includes precise time and frequency annotations, gathered by dozens of bird enthusiasts across France, enabling novel downstream acoustic analysis. In particular, we prove the utility of this database by training an original two-stage deep object detection model tailored for the processing of audio data. While allowing the precise localization of bird calls in spectrograms, this model shows competitive accuracy on the 45 main species of the dataset with state-of-the-art systems trained on much larger audio collections. These results highlight the interest of fostering similar open-science initiatives to acquire costly but valuable fine-grained annotations of audio files. All data and code are made openly available.

Recent studies have advocated for fully open foundation models to promote transparency and open science. As an initial step, the Open Whisper-style Speech Model (OWSM) reproduced OpenAI's Whisper using publicly available data and open-source toolkits. With the aim of reproducing Whisper, the previous OWSM v1 through v3 models were still based on Transformer, which might lead to inferior performance compared to other state-of-the-art speech encoders. In this work, we aim to improve the performance and efficiency of OWSM without extra training data. We present E-Branchformer based OWSM v3.1 models at two scales, i.e., 100M and 1B. The 1B model is the largest E-Branchformer based speech model that has been made publicly available. It outperforms the previous OWSM v3 in a vast majority of evaluation benchmarks, while demonstrating up to 25% faster inference speed. We publicly release the data preparation scripts, pre-trained models and training logs.

Recent advances in spoken language processing have led to substantial progress in phonetic tasks such as automatic speech recognition (ASR), phone recognition (PR), grapheme-to-phoneme conversion (G2P), and phoneme-to-grapheme conversion (P2G). Despite their conceptual similarity, these tasks have largely been studied in isolation, each relying on task-specific architectures and datasets. In this paper, we introduce POWSM (Phonetic Open Whisper-style Speech Model), the first unified framework capable of jointly performing multiple phone-related tasks. POWSM enables seamless conversion between audio, text (graphemes), and phones, opening up new possibilities for universal and low-resource speech processing. Our model outperforms or matches specialized PR models of similar size (Wav2Vec2Phoneme and ZIPA) while jointly supporting G2P, P2G, and ASR. Our training data, code and models are released to foster open science.

We introduce the Falcon series: 7B, 40B, and 180B parameters causal decoder-only models trained on a diverse high-quality corpora predominantly assembled from web data. The largest model, Falcon-180B, has been trained on over 3.5 trillion tokens of text--the largest openly documented pretraining run. Falcon-180B significantly outperforms models such as PaLM or Chinchilla, and improves upon concurrently developed models such as LLaMA 2 or Inflection-1. It nears the performance of PaLM-2-Large at a reduced pretraining and inference cost, making it, to our knowledge, one of the three best language models in the world along with GPT-4 and PaLM-2-Large. We report detailed evaluations, as well as a deep dive into the methods and custom tooling employed to pretrain Falcon. Notably, we report on our custom distributed training codebase, allowing us to efficiently pretrain these models on up to 4,096 A100s on cloud AWS infrastructure with limited interconnect. We release a 600B tokens extract of our web dataset, as well as the Falcon-7/40/180B models under a permissive license to foster open-science and accelerate the development of an open ecosystem of large language models.

The proliferation of open large language models (LLMs) is fostering a vibrant ecosystem of research and innovation in artificial intelligence (AI). However, the methods of collaboration used to develop open LLMs both before and after their public release have not yet been comprehensively studied, limiting our understanding of how open LLM projects are initiated, organized, and governed as well as what opportunities there are to foster this ecosystem even further. We address this gap through an exploratory analysis of open collaboration throughout the development and reuse lifecycle of open LLMs, drawing on semi-structured interviews with the developers of 14 open LLMs from grassroots projects, research institutes, startups, and Big Tech companies in North America, Europe, Africa, and Asia. We make three key contributions to research and practice. First, collaboration in open LLM projects extends far beyond the LLMs themselves, encompassing datasets, benchmarks, open source frameworks, leaderboards, knowledge sharing and discussion forums, and compute partnerships, among others. Second, open LLM developers have a variety of social, economic, and technological motivations, from democratizing AI access and promoting open science to building regional ecosystems and expanding language representation. Third, the sampled open LLM projects exhibit five distinct organizational models, ranging from single company projects to non-profit-sponsored grassroots projects, which vary in their centralization of control and community engagement strategies used throughout the open LLM lifecycle. We conclude with practical recommendations for stakeholders seeking to support the global community building a more open future for AI.

There has been an increasing interest in large speech models that can perform multiple speech processing tasks in a single model. Such models usually adopt the encoder-decoder or decoder-only architecture due to their popularity and good performance in many domains. However, autoregressive models can be slower during inference compared to non-autoregressive models and also have potential risks of hallucination. Though prior studies observed promising results of non-autoregressive models for certain tasks at small scales, it remains unclear if they can be scaled to speech-to-text generation in diverse languages and tasks. Inspired by the Open Whisper-style Speech Model (OWSM) project, we propose OWSM-CTC, a novel encoder-only speech foundation model based on Connectionist Temporal Classification (CTC). It is trained on 180k hours of public audio data for multilingual automatic speech recognition (ASR), speech translation (ST), and language identification (LID). Compared to encoder-decoder OWSM, our OWSM-CTC achieves competitive results on ASR and up to 25% relative improvement on ST, while it is more robust and 3 to 4 times faster for inference. OWSM-CTC also improves the long-form ASR result with 20x speed-up. We will publicly release our codebase, pre-trained model, and training logs to promote open science in speech foundation models.

Pre-training speech models on large volumes of data has achieved remarkable success. OpenAI Whisper is a multilingual multitask model trained on 680k hours of supervised speech data. It generalizes well to various speech recognition and translation benchmarks even in a zero-shot setup. However, the full pipeline for developing such models (from data collection to training) is not publicly accessible, which makes it difficult for researchers to further improve its performance and address training-related issues such as efficiency, robustness, fairness, and bias. This work presents an Open Whisper-style Speech Model (OWSM), which reproduces Whisper-style training using an open-source toolkit and publicly available data. OWSM even supports more translation directions and can be more efficient to train. We will publicly release all scripts used for data preparation, training, inference, and scoring as well as pre-trained models and training logs to promote open science.

In the field of Computer Science, conference and workshop papers serve as important contributions, carrying substantial weight in research assessment processes, compared to other disciplines. However, a considerable number of these papers are not assigned a Digital Object Identifier (DOI), hence their citations are not reported in widely used citation datasets like OpenCitations and Crossref, raising limitations to citation analysis. While the Microsoft Academic Graph (MAG) previously addressed this issue by providing substantial coverage, its discontinuation has created a void in available data. BIP! NDR aims to alleviate this issue and enhance the research assessment processes within the field of Computer Science. To accomplish this, it leverages a workflow that identifies and retrieves Open Science papers lacking DOIs from the DBLP Corpus, and by performing text analysis, it extracts citation information directly from their full text. The current version of the dataset contains more than 510K citations made by approximately 60K open access Computer Science conference or workshop papers that, according to DBLP, do not have a DOI.

The evaluation of vision-language models (VLMs) has mainly relied on English-language benchmarks, leaving significant gaps in both multilingual and multicultural coverage. While multilingual benchmarks have expanded, both in size and languages, many rely on translations of English datasets, failing to capture cultural nuances. In this work, we propose Kaleidoscope, as the most comprehensive exam benchmark to date for the multilingual evaluation of vision-language models. Kaleidoscope is a large-scale, in-language multimodal benchmark designed to evaluate VLMs across diverse languages and visual inputs. Kaleidoscope covers 18 languages and 14 different subjects, amounting to a total of 20,911 multiple-choice questions. Built through an open science collaboration with a diverse group of researchers worldwide, Kaleidoscope ensures linguistic and cultural authenticity. We evaluate top-performing multilingual vision-language models and find that they perform poorly on low-resource languages and in complex multimodal scenarios. Our results highlight the need for progress on culturally inclusive multimodal evaluation frameworks.

In the rapidly evolving landscape of AI research and application, Multimodal Large Language Models (MLLMs) have emerged as a transformative force, adept at interpreting and integrating information from diverse modalities such as text, images, and Graphical User Interfaces (GUIs). Despite these advancements, the nuanced interaction and understanding of GUIs pose a significant challenge, limiting the potential of existing models to enhance automation levels. To bridge this gap, this paper presents V-Zen, an innovative Multimodal Large Language Model (MLLM) meticulously crafted to revolutionise the domain of GUI understanding and grounding. Equipped with dual-resolution image encoders, V-Zen establishes new benchmarks in efficient grounding and next-action prediction, thereby laying the groundwork for self-operating computer systems. Complementing V-Zen is the GUIDE dataset, an extensive collection of real-world GUI elements and task-based sequences, serving as a catalyst for specialised fine-tuning. The successful integration of V-Zen and GUIDE marks the dawn of a new era in multimodal AI research, opening the door to intelligent, autonomous computing experiences. This paper extends an invitation to the research community to join this exciting journey, shaping the future of GUI automation. In the spirit of open science, our code, data, and model will be made publicly available, paving the way for multimodal dialogue scenarios with intricate and precise interactions.

Detecting AI-generated code, deepfakes, and other synthetic content is an emerging research challenge. As code generated by Large Language Models (LLMs) becomes more common, identifying the specific model behind each sample is increasingly important. This paper presents the first systematic study of LLM authorship attribution for C programs. We released CodeT5-Authorship, a novel model that uses only the encoder layers from the original CodeT5 encoder-decoder architecture, discarding the decoder to focus on classification. Our model's encoder output (first token) is passed through a two-layer classification head with GELU activation and dropout, producing a probability distribution over possible authors. To evaluate our approach, we introduce LLM-AuthorBench, a benchmark of 32,000 compilable C programs generated by eight state-of-the-art LLMs across diverse tasks. We compare our model to seven traditional ML classifiers and eight fine-tuned transformer models, including BERT, RoBERTa, CodeBERT, ModernBERT, DistilBERT, DeBERTa-V3, Longformer, and LoRA-fine-tuned Qwen2-1.5B. In binary classification, our model achieves 97.56% accuracy in distinguishing C programs generated by closely related models such as GPT-4.1 and GPT-4o, and 95.40% accuracy for multi-class attribution among five leading LLMs (Gemini 2.5 Flash, Claude 3.5 Haiku, GPT-4.1, Llama 3.3, and DeepSeek-V3). To support open science, we release the CodeT5-Authorship architecture, the LLM-AuthorBench benchmark, and all relevant Google Colab scripts on GitHub: https://github.com/LLMauthorbench/.

Large Language Models represent state-of-the-art linguistic models designed to equip computers with the ability to comprehend natural language. With its exceptional capacity to capture complex contextual relationships, the LLaMA (Large Language Model Meta AI) family represents a novel advancement in the field of natural language processing by releasing foundational models designed to improve the natural language understanding abilities of the transformer architecture thanks to their large amount of trainable parameters (7, 13, and 70 billion parameters). In many natural language understanding tasks, these models obtain the same performances as private company models such as OpenAI Chat-GPT with the advantage to make publicly available weights and code for research and commercial uses. In this work, we investigate the possibility of Language Adaptation for LLaMA models, explicitly focusing on addressing the challenge of Italian Language coverage. Adopting an open science approach, we explore various tuning approaches to ensure a high-quality text generated in Italian suitable for common tasks in this underrepresented language in the original models' datasets. We aim to release effective text generation models with strong linguistic properties for many tasks that seem challenging using multilingual or general-purpose LLMs. By leveraging an open science philosophy, this study contributes to Language Adaptation strategies for the Italian language by introducing the novel LLaMAntino family of Italian LLMs.

In this paper, we present the first large-scale study exploring whether JavaScript code generated by Large Language Models (LLMs) can reveal which model produced it, enabling reliable authorship attribution and model fingerprinting. With the rapid rise of AI-generated code, attribution is playing a critical role in detecting vulnerabilities, flagging malicious content, and ensuring accountability. While AI-vs-human detection usually treats AI as a single category we show that individual LLMs leave unique stylistic signatures, even among models belonging to the same family or parameter size. To this end, we introduce LLM-NodeJS, a dataset of 50,000 Node.js back-end programs from 20 large language models. Each has four transformed variants, yielding 250,000 unique JavaScript samples and two additional representations (JSIR and AST) for diverse research applications. Using this dataset, we benchmark traditional machine learning classifiers against fine-tuned Transformer encoders and introduce CodeT5-JSA, a custom architecture derived from the 770M-parameter CodeT5 model with its decoder removed and a modified classification head. It achieves 95.8% accuracy on five-class attribution, 94.6% on ten-class, and 88.5% on twenty-class tasks, surpassing other tested models such as BERT, CodeBERT, and Longformer. We demonstrate that classifiers capture deeper stylistic regularities in program dataflow and structure, rather than relying on surface-level features. As a result, attribution remains effective even after mangling, comment removal, and heavy code transformations. To support open science and reproducibility, we release the LLM-NodeJS dataset, Google Colab training scripts, and all related materials on GitHub: https://github.com/LLM-NodeJS-dataset.

We introduce InVirtuoGen, a discrete flow generative model for fragmented SMILES for de novo and fragment-constrained generation, and target-property/lead optimization of small molecules. The model learns to transform a uniform source over all possible tokens into the data distribution. Unlike masked models, its training loss accounts for predictions on all sequence positions at every denoising step, shifting the generation paradigm from completion to refinement, and decoupling the number of sampling steps from the sequence length. For de novo generation, InVirtuoGen achieves a stronger quality-diversity pareto frontier than prior fragment-based models and competitive performance on fragment-constrained tasks. For property and lead optimization, we propose a hybrid scheme that combines a genetic algorithm with a Proximal Property Optimization fine-tuning strategy adapted to discrete flows. Our approach sets a new state-of-the-art on the Practical Molecular Optimization benchmark, measured by top-10 AUC across tasks, and yields higher docking scores in lead optimization than previous baselines. InVirtuoGen thus establishes a versatile generative foundation for drug discovery, from early hit finding to multi-objective lead optimization. We further contribute to open science by releasing pretrained checkpoints and code, making our results fully reproduciblehttps://github.com/invirtuolabs/InVirtuoGen_results.

Addressing the critical theme of recycling electronic waste (E-waste), this contribution is dedicated to developing advanced automated data processing pipelines as a basis for decision-making and process control. Aligning with the broader goals of the circular economy and the United Nations (UN) Sustainable Development Goals (SDG), our work leverages non-invasive analysis methods utilizing RGB and hyperspectral imaging data to provide both quantitative and qualitative insights into the E-waste stream composition for optimizing recycling efficiency. In this paper, we introduce 'PCB-Vision'; a pioneering RGB-hyperspectral printed circuit board (PCB) benchmark dataset, comprising 53 RGB images of high spatial resolution paired with their corresponding high spectral resolution hyperspectral data cubes in the visible and near-infrared (VNIR) range. Grounded in open science principles, our dataset provides a comprehensive resource for researchers through high-quality ground truths, focusing on three primary PCB components: integrated circuits (IC), capacitors, and connectors. We provide extensive statistical investigations on the proposed dataset together with the performance of several state-of-the-art (SOTA) models, including U-Net, Attention U-Net, Residual U-Net, LinkNet, and DeepLabv3+. By openly sharing this multi-scene benchmark dataset along with the baseline codes, we hope to foster transparent, traceable, and comparable developments of advanced data processing across various scientific communities, including, but not limited to, computer vision and remote sensing. Emphasizing our commitment to supporting a collaborative and inclusive scientific community, all materials, including code, data, ground truth, and masks, will be accessible at https://github.com/hifexplo/PCBVision.

Yes. SE data can have "smoother" boundaries between classes (compared to traditional AI data sets). To be more precise, the magnitude of the second derivative of the loss function found in SE data is typically much smaller. A new hyper-parameter optimizer, called SMOOTHIE, can exploit this idiosyncrasy of SE data. We compare SMOOTHIE and a state-of-the-art AI hyper-parameter optimizer on three tasks: (a) GitHub issue lifetime prediction (b) detecting static code warnings false alarm; (c) defect prediction. For completeness, we also show experiments on some standard AI datasets. SMOOTHIE runs faster and predicts better on the SE data--but ties on non-SE data with the AI tool. Hence we conclude that SE data can be different to other kinds of data; and those differences mean that we should use different kinds of algorithms for our data. To support open science and other researchers working in this area, all our scripts and datasets are available on-line at https://github.com/yrahul3910/smoothness-hpo/.

Can foundation models be guided to execute tasks involving legal reasoning? We believe that building a benchmark to answer this question will require sustained collaborative efforts between the computer science and legal communities. To that end, this short paper serves three purposes. First, we describe how IRAC-a framework legal scholars use to distinguish different types of legal reasoning-can guide the construction of a Foundation Model oriented benchmark. Second, we present a seed set of 44 tasks built according to this framework. We discuss initial findings, and highlight directions for new tasks. Finally-inspired by the Open Science movement-we make a call for the legal and computer science communities to join our efforts by contributing new tasks. This work is ongoing, and our progress can be tracked here: https://github.com/HazyResearch/legalbench.

This technical report presents Prithvi-EO-2.0, a new geospatial foundation model that offers significant improvements over its predecessor, Prithvi-EO-1.0. Trained on 4.2M global time series samples from NASA's Harmonized Landsat and Sentinel-2 data archive at 30m resolution, the new 300M and 600M parameter models incorporate temporal and location embeddings for enhanced performance across various geospatial tasks. Through extensive benchmarking with GEO-Bench, the 600M version outperforms the previous Prithvi-EO model by 8\% across a range of tasks. It also outperforms six other geospatial foundation models when benchmarked on remote sensing tasks from different domains and resolutions (i.e. from 0.1m to 15m). The results demonstrate the versatility of the model in both classical earth observation and high-resolution applications. Early involvement of end-users and subject matter experts (SMEs) are among the key factors that contributed to the project's success. In particular, SME involvement allowed for constant feedback on model and dataset design, as well as successful customization for diverse SME-led applications in disaster response, land use and crop mapping, and ecosystem dynamics monitoring. Prithvi-EO-2.0 is available on Hugging Face and IBM terratorch, with additional resources on GitHub. The project exemplifies the Trusted Open Science approach embraced by all involved organizations.

Large language models (LLMs) have become a dominant and important tool for NLP researchers in a wide range of tasks. Today, many researchers use LLMs in synthetic data generation, task evaluation, fine-tuning, distillation, and other model-in-the-loop research workflows. However, challenges arise when using these models that stem from their scale, their closed source nature, and the lack of standardized tooling for these new and emerging workflows. The rapid rise to prominence of these models and these unique challenges has had immediate adverse impacts on open science and on the reproducibility of work that uses them. In this paper, we introduce DataDreamer, an open source Python library that allows researchers to write simple code to implement powerful LLM workflows. DataDreamer also helps researchers adhere to best practices that we propose to encourage open science and reproducibility. The library and documentation are available at https://github.com/datadreamer-dev/DataDreamer .

The crystallization of modeling methods around the Transformer architecture has been a boon for practitioners. Simple, well-motivated architectural variations can transfer across tasks and scale, increasing the impact of modeling research. However, with the emergence of state-of-the-art 100B+ parameters models, large language models are increasingly expensive to accurately design and train. Notably, it can be difficult to evaluate how modeling decisions may impact emergent capabilities, given that these capabilities arise mainly from sheer scale alone. In the process of building BLOOM--the Big Science Large Open-science Open-access Multilingual language model--our goal is to identify an architecture and training setup that makes the best use of our 1,000,000 A100-GPU-hours budget. Specifically, we perform an ablation study at the billion-parameter scale comparing different modeling practices and their impact on zero-shot generalization. In addition, we study the impact of various popular pre-training corpora on zero-shot generalization. We also study the performance of a multilingual model and how it compares to the English-only one. Finally, we consider the scaling behaviour of Transformers to choose the target model size, shape, and training setup. All our models and code are open-sourced at https://huggingface.co/bigscience .

As the number of open and shared scientific datasets on the Internet increases under the open science movement, efficiently retrieving these datasets is a crucial task in information retrieval (IR) research. In recent years, the development of large models, particularly the pre-training and fine-tuning paradigm, which involves pre-training on large models and fine-tuning on downstream tasks, has provided new solutions for IR match tasks. In this study, we use the original BERT token in the embedding layer, improve the Sentence-BERT model structure in the model layer by introducing the SimCSE and K-Nearest Neighbors method, and use the cosent loss function in the optimization phase to optimize the target output. Our experimental results show that our model outperforms other competing models on both public and self-built datasets through comparative experiments and ablation implementations. This study explores and validates the feasibility and efficiency of pre-training techniques for semantic retrieval of Chinese scientific datasets.

The paper explores the relevance of the Text-To-Text Transfer Transformer language model (T5) for Polish (plT5) to the task of intrinsic and extrinsic keyword extraction from short text passages. The evaluation is carried out on the new Polish Open Science Metadata Corpus (POSMAC), which is released with this paper: a collection of 216,214 abstracts of scientific publications compiled in the CURLICAT project. We compare the results obtained by four different methods, i.e. plT5kw, extremeText, TermoPL, KeyBERT and conclude that the plT5kw model yields particularly promising results for both frequent and sparsely represented keywords. Furthermore, a plT5kw keyword generation model trained on the POSMAC also seems to produce highly useful results in cross-domain text labelling scenarios. We discuss the performance of the model on news stories and phone-based dialog transcripts which represent text genres and domains extrinsic to the dataset of scientific abstracts. Finally, we also attempt to characterize the challenges of evaluating a text-to-text model on both intrinsic and extrinsic keyword extraction.

Fine-tuning for large language models (LLMs) typically requires substantial amounts of high-quality supervised data, which is both costly and labor-intensive to acquire. While synthetic data generation has emerged as a promising solution, existing approaches frequently suffer from factual inaccuracies, insufficient long-tail coverage, simplistic knowledge structures, and homogenized outputs. To address these challenges, we introduce GraphGen, a knowledge graph-guided framework designed for three key question-answering (QA) scenarios: atomic QA, aggregated QA, and multi-hop QA. It begins by constructing a fine-grained knowledge graph from the source text. It then identifies knowledge gaps in LLMs using the expected calibration error metric, prioritizing the generation of QA pairs that target high-value, long-tail knowledge. Furthermore, GraphGen incorporates multi-hop neighborhood sampling to capture complex relational information and employs style-controlled generation to diversify the resulting QA data. Experimental results on knowledge-intensive tasks under closed-book settings demonstrate that GraphGen outperforms conventional synthetic data methods, offering a more reliable and comprehensive solution to the data scarcity challenge in supervised fine-tuning. The code and data are publicly available at https://github.com/open-sciencelab/GraphGen.

In urban or crowded environments, humans rely on eye contact for fast and efficient communication with nearby people. Autonomous agents also need to detect eye contact to interact with pedestrians and safely navigate around them. In this paper, we focus on eye contact detection in the wild, i.e., real-world scenarios for autonomous vehicles with no control over the environment or the distance of pedestrians. We introduce a model that leverages semantic keypoints to detect eye contact and show that this high-level representation (i) achieves state-of-the-art results on the publicly-available dataset JAAD, and (ii) conveys better generalization properties than leveraging raw images in an end-to-end network. To study domain adaptation, we create LOOK: a large-scale dataset for eye contact detection in the wild, which focuses on diverse and unconstrained scenarios for real-world generalization. The source code and the LOOK dataset are publicly shared towards an open science mission.

Decompilers are important tools for reverse engineers that help them analyze software at a higher level of abstraction than assembly. Unfortunately, because compilation is lossy, deterministic decompilers produce code that is missing many of the details that make source code readable in the first place, like variable names and types. Neural decompilers, on the other hand, offer the ability to statistically fill in these details. Existing work in neural decompilation, however, suffers from substantial drawbacks that limits its ability to handle real code: it is unable to handle user-defined composite types, which are essential to fully specifying many functions' semantics, or require test cases. In this work, we introduce a new training process to finetune any LLM into a neural decompiler capable of generating the appropriate user-defined types alongside the decompilation. We introduce a new dataset, Realtype, that includes substantially more complicated and realistic types than existing neural decompilation benchmarks. Motivated by the intuition that different parts of data structures can be operated upon by different parts of the program, we show that interprocedural context can help improve neural decompilers' ability to handle user-defined types. We show that our training process yields state-of-the-art results in neural decompilation. We also publicly release the Idioms series of finetuned neural decompilation models in support of open science. In summary, we identify the need for joint code and type prediction, show that it is a hard problem, and take the first steps towards solving it.

HAL (Hyper Articles en Ligne) is the French national publication repository, used by most higher education and research organizations for their open science policy. As a digital library, it is a rich repository of scholarly documents, but its potential for advanced research has been underutilized. We present HALvest, a unique dataset that bridges the gap between citation networks and the full text of papers submitted on HAL. We craft our dataset by filtering HAL for scholarly publications, resulting in approximately 700,000 documents, spanning 34 languages across 13 identified domains, suitable for language model training, and yielding approximately 16.5 billion tokens (with 8 billion in French and 7 billion in English, the most represented languages). We transform the metadata of each paper into a citation network, producing a directed heterogeneous graph. This graph includes uniquely identified authors on HAL, as well as all open submitted papers, and their citations. We provide a baseline for authorship attribution using the dataset, implement a range of state-of-the-art models in graph representation learning for link prediction, and discuss the usefulness of our generated knowledge graph structure.

As language models grow ever larger, the need for large-scale high-quality text datasets has never been more pressing, especially in multilingual settings. The BigScience workshop, a 1-year international and multidisciplinary initiative, was formed with the goal of researching and training large language models as a values-driven undertaking, putting issues of ethics, harm, and governance in the foreground. This paper documents the data creation and curation efforts undertaken by BigScience to assemble the Responsible Open-science Open-collaboration Text Sources (ROOTS) corpus, a 1.6TB dataset spanning 59 languages that was used to train the 176-billion-parameter BigScience Large Open-science Open-access Multilingual (BLOOM) language model. We further release a large initial subset of the corpus and analyses thereof, and hope to empower large-scale monolingual and multilingual modeling projects with both the data and the processing tools, as well as stimulate research around this large multilingual corpus.

High-quality, "rich" metadata are essential for making research data findable, interoperable, and reusable. The Center for Expanded Data Annotation and Retrieval (CEDAR) has long addressed this need by providing tools to design machine-actionable metadata templates that encode community standards in a computable form. To make these capabilities more accessible within real-world research workflows, we have developed the CEDAR Embeddable Editor (CEE)-a lightweight, interoperable Web Component that brings structured, standards-based metadata authoring directly into third-party platforms. The CEE dynamically renders metadata forms from machine-actionable templates and produces semantically rich metadata in JSON-LD format. It supports ontology-based value selection via the BioPortal ontology repository, and it includes external authority resolution for persistent identifiers such as ORCIDs for individuals and RORs for research organizations. Crucially, the CEE requires no custom user-interface development, allowing deployment across diverse platforms. The CEE has been successfully integrated into generalist scientific data repositories such as Dryad and the Open Science Framework, demonstrating its ability to support discipline-specific metadata creation. By supporting the embedding of metadata authoring within existing research environments, the CEE can facilitate the adoption of community standards and help improve metadata quality across scientific disciplines.

The use of Project Gutenberg (PG) as a text corpus has been extremely popular in statistical analysis of language for more than 25 years. However, in contrast to other major linguistic datasets of similar importance, no consensual full version of PG exists to date. In fact, most PG studies so far either consider only a small number of manually selected books, leading to potential biased subsets, or employ vastly different pre-processing strategies (often specified in insufficient details), raising concerns regarding the reproducibility of published results. In order to address these shortcomings, here we present the Standardized Project Gutenberg Corpus (SPGC), an open science approach to a curated version of the complete PG data containing more than 50,000 books and more than 3 times 10^9 word-tokens. Using different sources of annotated metadata, we not only provide a broad characterization of the content of PG, but also show different examples highlighting the potential of SPGC for investigating language variability across time, subjects, and authors. We publish our methodology in detail, the code to download and process the data, as well as the obtained corpus itself on 3 different levels of granularity (raw text, timeseries of word tokens, and counts of words). In this way, we provide a reproducible, pre-processed, full-size version of Project Gutenberg as a new scientific resource for corpus linguistics, natural language processing, and information retrieval.

We present a scientific reasoning foundation model that aligns natural language with heterogeneous scientific representations. The model is pretrained on a 206B-token corpus spanning scientific text, pure sequences, and sequence-text pairs, then aligned via SFT on 40M instructions, annealed cold-start bootstrapping to elicit long-form chain-of-thought, and reinforcement learning with task-specific reward shaping, which instills deliberate scientific reasoning. It supports four capability families, covering up to 103 tasks across workflows: (i) faithful translation between text and scientific formats, (ii) text/knowledge extraction, (iii) property prediction, (iv) property classification, (v) unconditional and conditional sequence generation and design. Compared with specialist systems, our approach broadens instruction coverage, improves cross-domain generalization, and enhances fidelity. We detail data curation and training and show that cross-discipline learning strengthens transfer and downstream reliability. The model, instruct tuning datasets and the evaluation code are open-sourced at https://huggingface.co/SciReason and https://github.com/open-sciencelab/SciReason.

Language model (LLM) post-training, from DPO to distillation, can refine behaviors and unlock new skills, but the open science supporting these post-training techniques is still in its infancy. One limiting factor has been the difficulty of conducting large-scale comparative analyses of synthetic data generating models and LLM judges. To close this gap, we introduce WILDCHAT-50M, the largest public chat dataset to date. We extend the existing WildChat dataset to include responses not only from GPT, but from over 50 different open-weight models, ranging in size from 0.5B to 104B parameters. We conduct an extensive comparative analysis and demonstrate the potential of this dataset by creating RE-WILD, our own public SFT mix, which outperforms the recent Tulu-3 SFT mixture from Allen AI with only 40% as many samples. Our dataset, samples and code are available at https://github.com/penfever/wildchat-50m.

Social scientists quickly adopted large language models due to their ability to annotate documents without supervised training, an ability known as zero-shot learning. However, due to their compute demands, cost, and often proprietary nature, these models are often at odds with replication and open science standards. This paper introduces the Political DEBATE (DeBERTa Algorithm for Textual Entailment) language models for zero-shot and few-shot classification of political documents. These models are not only as good, or better than, state-of-the art large language models at zero and few-shot classification, but are orders of magnitude more efficient and completely open source. By training the models on a simple random sample of 10-25 documents, they can outperform supervised classifiers trained on hundreds or thousands of documents and state-of-the-art generative models with complex, engineered prompts. Additionally, we release the PolNLI dataset used to train these models -- a corpus of over 200,000 political documents with highly accurate labels across over 800 classification tasks.

Large Language Models (LLMs) are pre-trained on large amounts of data from different sources and domains. These data most often contain trillions of tokens with large portions of copyrighted or proprietary content, which hinders the usage of such models under AI legislation. This raises the need for truly open pre-training data that is compliant with the data security regulations. In this paper, we introduce Common Corpus, the largest open dataset for language model pre-training. The data assembled in Common Corpus are either uncopyrighted or under permissible licenses and amount to about two trillion tokens. The dataset contains a wide variety of languages, ranging from the main European languages to low-resource ones rarely present in pre-training datasets; in addition, it includes a large portion of code data. The diversity of data sources in terms of covered domains and time periods opens up the paths for both research and entrepreneurial needs in diverse areas of knowledge. In this technical report, we present the detailed provenance of data assembling and the details of dataset filtering and curation. Being already used by such industry leaders as Anthropic and multiple LLM training projects, we believe that Common Corpus will become a critical infrastructure for open science research in LLMs.

This work introduces Salamandra, a suite of open-source decoder-only large language models available in three different sizes: 2, 7, and 40 billion parameters. The models were trained from scratch on highly multilingual data that comprises text in 35 European languages and code. Our carefully curated corpus is made exclusively from open-access data compiled from a wide variety of sources. Along with the base models, supplementary checkpoints that were fine-tuned on public-domain instruction data are also released for chat applications. Additionally, we also share our preliminary experiments on multimodality, which serve as proof-of-concept to showcase potential applications for the Salamandra family. Our extensive evaluations on multilingual benchmarks reveal that Salamandra has strong capabilities, achieving competitive performance when compared to similarly sized open-source models. We provide comprehensive evaluation results both on standard downstream tasks as well as key aspects related to bias and safety.With this technical report, we intend to promote open science by sharing all the details behind our design choices, data curation strategy and evaluation methodology. In addition to that, we deviate from the usual practice by making our training and evaluation scripts publicly accessible. We release all models under a permissive Apache 2.0 license in order to foster future research and facilitate commercial use, thereby contributing to the open-source ecosystem of large language models.

This paper introduces a pioneering approach to artificial intelligence research, embodied in our O1 Replication Journey. In response to the announcement of OpenAI's groundbreaking O1 model, we embark on a transparent, real-time exploration to replicate its capabilities while reimagining the process of conducting and communicating AI research. Our methodology addresses critical challenges in modern AI research, including the insularity of prolonged team-based projects, delayed information sharing, and the lack of recognition for diverse contributions. By providing comprehensive, real-time documentation of our replication efforts, including both successes and failures, we aim to foster open science, accelerate collective advancement, and lay the groundwork for AI-driven scientific discovery. Our research progress report diverges significantly from traditional research papers, offering continuous updates, full process transparency, and active community engagement throughout the research journey. Technologically, we proposed the journey learning paradigm, which encourages models to learn not just shortcuts, but the complete exploration process, including trial and error, reflection, and backtracking. With only 327 training samples and without any additional tricks, journey learning outperformed conventional supervised learning by over 8\% on the MATH dataset, demonstrating its extremely powerful potential. We believe this to be the most crucial component of O1 technology that we have successfully decoded. We share valuable resources including technical hypotheses and insights, cognitive exploration maps, custom-developed tools, etc at https://github.com/GAIR-NLP/O1-Journey.

Automated program repair (APR) aims to fix software bugs automatically and plays a crucial role in software development and maintenance. With the recent advances in deep learning (DL), an increasing number of APR techniques have been proposed to leverage neural networks to learn bug-fixing patterns from massive open-source code repositories. Such learning-based techniques usually treat APR as a neural machine translation (NMT) task, where buggy code snippets (i.e., source language) are translated into fixed code snippets (i.e., target language) automatically. Benefiting from the powerful capability of DL to learn hidden relationships from previous bug-fixing datasets, learning-based APR techniques have achieved remarkable performance. In this paper, we provide a systematic survey to summarize the current state-of-the-art research in the learning-based APR community. We illustrate the general workflow of learning-based APR techniques and detail the crucial components, including fault localization, patch generation, patch ranking, patch validation, and patch correctness phases. We then discuss the widely-adopted datasets and evaluation metrics and outline existing empirical studies. We discuss several critical aspects of learning-based APR techniques, such as repair domains, industrial deployment, and the open science issue. We highlight several practical guidelines on applying DL techniques for future APR studies, such as exploring explainable patch generation and utilizing code features. Overall, our paper can help researchers gain a comprehensive understanding about the achievements of the existing learning-based APR techniques and promote the practical application of these techniques. Our artifacts are publicly available at https://github.com/QuanjunZhang/AwesomeLearningAPR.

Context: Jupyter Notebook has emerged as a versatile tool that transforms how researchers, developers, and data scientists conduct and communicate their work. As the adoption of Jupyter notebooks continues to rise, so does the interest from the software engineering research community in improving the software engineering practices for Jupyter notebooks. Objective: The purpose of this study is to analyze trends, gaps, and methodologies used in software engineering research on Jupyter notebooks. Method: We selected 146 relevant publications from the DBLP Computer Science Bibliography up to the end of 2024, following established systematic literature review guidelines. We explored publication trends, categorized them based on software engineering topics, and reported findings based on those topics. Results: The most popular venues for publishing software engineering research on Jupyter notebooks are related to human-computer interaction instead of traditional software engineering venues. Researchers have addressed a wide range of software engineering topics on notebooks, such as code reuse, readability, and execution environment. Although reusability is one of the research topics for Jupyter notebooks, only 64 of the 146 studies can be reused based on their provided URLs. Additionally, most replication packages are not hosted on permanent repositories for long-term availability and adherence to open science principles. Conclusion: Solutions specific to notebooks for software engineering issues, including testing, refactoring, and documentation, are underexplored. Future research opportunities exist in automatic testing frameworks, refactoring clones between notebooks, and generating group documentation for coherent code cells.

Retractions play a vital role in maintaining scientific integrity, yet systematic studies of retractions in computer science and other STEM fields remain scarce. We present WithdrarXiv, the first large-scale dataset of withdrawn papers from arXiv, containing over 14,000 papers and their associated retraction comments spanning the repository's entire history through September 2024. Through careful analysis of author comments, we develop a comprehensive taxonomy of retraction reasons, identifying 10 distinct categories ranging from critical errors to policy violations. We demonstrate a simple yet highly accurate zero-shot automatic categorization of retraction reasons, achieving a weighted average F1-score of 0.96. Additionally, we release WithdrarXiv-SciFy, an enriched version including scripts for parsed full-text PDFs, specifically designed to enable research in scientific feasibility studies, claim verification, and automated theorem proving. These findings provide valuable insights for improving scientific quality control and automated verification systems. Finally, and most importantly, we discuss ethical issues and take a number of steps to implement responsible data release while fostering open science in this area.

Generative AI (GAI) offers unprecedented opportunities for research and innovation, but its commercialization has raised concerns about transparency, reproducibility, and safety. Many open GAI models lack the necessary components for full understanding and reproducibility, and some use restrictive licenses whilst claiming to be ``open-source''. To address these concerns, we propose the Model Openness Framework (MOF), a ranked classification system that rates machine learning models based on their completeness and openness, following principles of open science, open source, open data, and open access. The MOF requires specific components of the model development lifecycle to be included and released under appropriate open licenses. This framework aims to prevent misrepresentation of models claiming to be open, guide researchers and developers in providing all model components under permissive licenses, and help individuals and organizations identify models that can be safely adopted without restrictions. By promoting transparency and reproducibility, the MOF combats ``openwashing'' practices and establishes completeness and openness as primary criteria alongside the core tenets of responsible AI. Wide adoption of the MOF will foster a more open AI ecosystem, benefiting research, innovation, and adoption of state-of-the-art models.

Floods wreak havoc throughout the world, causing billions of dollars in damages, and uprooting communities, ecosystems and economies. The NASA Impact Flood Detection competition tasked participants with predicting flooded pixels after training with synthetic aperture radar (SAR) images in a supervised setting. We propose a semi-supervised learning pseudo-labeling scheme that derives confidence estimates from U-Net ensembles, progressively improving accuracy. Concretely, we use a cyclical approach involving multiple stages (1) training an ensemble model of multiple U-Net architectures with the provided high confidence hand-labeled data and, generated pseudo labels or low confidence labels on the entire unlabeled test dataset, and then, (2) filter out quality generated labels and, (3) combine the generated labels with the previously available high confidence hand-labeled dataset. This assimilated dataset is used for the next round of training ensemble models and the cyclical process is repeated until the performance improvement plateaus. We post process our results with Conditional Random Fields. Our approach sets a new state-of-the-art on the Sentinel-1 dataset with 0.7654 IoU, an impressive improvement over the 0.60 IoU baseline. Our method, which we release with all the code and models, can also be used as an open science benchmark for the Sentinel-1 dataset.

Large language models (LLMs) have demonstrated remarkable success as foundational models, benefiting various downstream applications through fine-tuning. Recent studies on loss scaling have demonstrated the superior performance of larger LLMs compared to their smaller counterparts. Nevertheless, training LLMs with billions of parameters poses significant challenges and requires considerable computational resources. For example, training a one trillion parameter GPT-style model on 20 trillion tokens requires a staggering 120 million exaflops of computation. This research explores efficient distributed training strategies to extract this computation from Frontier, the world's first exascale supercomputer dedicated to open science. We enable and investigate various model and data parallel training techniques, such as tensor parallelism, pipeline parallelism, and sharded data parallelism, to facilitate training a trillion-parameter model on Frontier. We empirically assess these techniques and their associated parameters to determine their impact on memory footprint, communication latency, and GPU's computational efficiency. We analyze the complex interplay among these techniques and find a strategy to combine them to achieve high throughput through hyperparameter tuning. We have identified efficient strategies for training large LLMs of varying sizes through empirical analysis and hyperparameter tuning. For 22 Billion, 175 Billion, and 1 Trillion parameters, we achieved GPU throughputs of 38.38%, 36.14%, and 31.96%, respectively. For the training of the 175 Billion parameter model and the 1 Trillion parameter model, we achieved 100% weak scaling efficiency on 1024 and 3072 MI250X GPUs, respectively. We also achieved strong scaling efficiencies of 89% and 87% for these two models.

Open-weight AI systems offer unique benefits, including enhanced transparency, open research, and decentralized access. However, they are vulnerable to tampering attacks which can efficiently elicit harmful behaviors by modifying weights or activations. Currently, there is not yet a robust science of open-weight model risk management. Existing safety fine-tuning methods and other post-training techniques have struggled to make LLMs resistant to more than a few dozen steps of adversarial fine-tuning. In this paper, we investigate whether filtering text about dual-use topics from training data can prevent unwanted capabilities and serve as a more tamper-resistant safeguard. We introduce a multi-stage pipeline for scalable data filtering and show that it offers a tractable and effective method for minimizing biothreat proxy knowledge in LLMs. We pretrain multiple 6.9B-parameter models from scratch and find that they exhibit substantial resistance to adversarial fine-tuning attacks on up to 10,000 steps and 300M tokens of biothreat-related text -- outperforming existing post-training baselines by over an order of magnitude -- with no observed degradation to unrelated capabilities. However, while filtered models lack internalized dangerous knowledge, we find that they can still leverage such information when it is provided in context (e.g., via search tool augmentation), demonstrating a need for a defense-in-depth approach. Overall, these findings help to establish pretraining data curation as a promising layer of defense for open-weight AI systems.

Large language models (LLMs) offer a powerful opportunity to simulate the results of social science experiments. In this work, we demonstrate that finetuning LLMs directly on individual-level responses from past experiments meaningfully improves the accuracy of such simulations across diverse social science domains. We construct SocSci210 via an automatic pipeline, a dataset comprising 2.9 million responses from 400,491 participants in 210 open-source social science experiments. Through finetuning, we achieve multiple levels of generalization. In completely unseen studies, our strongest model, Socrates-Qwen-14B, produces predictions that are 26% more aligned with distributions of human responses to diverse outcome questions under varying conditions relative to its base model (Qwen2.5-14B), outperforming GPT-4o by 13%. By finetuning on a subset of conditions in a study, generalization to new unseen conditions is particularly robust, improving by 71%. Since SocSci210 contains rich demographic information, we reduce demographic parity, a measure of bias, by 10.6% through finetuning. Because social sciences routinely generate rich, topic-specific datasets, our findings indicate that finetuning on such data could enable more accurate simulations for experimental hypothesis screening. We release our data, models and finetuning code at stanfordhci.github.io/socrates.

Word embeddings are an essential instrument in many NLP tasks. Most available resources are trained on general language from Web corpora or Wikipedia dumps. However, word embeddings for domain-specific language are rare, in particular for the social science domain. Therefore, in this work, we describe the creation and evaluation of word embedding models based on 37,604 open-access social science research papers. In the evaluation, we compare domain-specific and general language models for (i) language coverage, (ii) diversity, and (iii) semantic relationships. We found that the created domain-specific model, even with a relatively small vocabulary size, covers a large part of social science concepts, their neighborhoods are diverse in comparison to more general models. Across all relation types, we found a more extensive coverage of semantic relationships.

With the rapid development of Large Language Models (LLMs), AI agents have demonstrated increasing proficiency in scientific tasks, ranging from hypothesis generation and experimental design to manuscript writing. Such agent systems are commonly referred to as "AI Scientists." However, existing AI Scientists predominantly formulate scientific discovery as a standalone search or optimization problem, overlooking the fact that scientific research is inherently a social and collaborative endeavor. Real-world science relies on a complex scientific infrastructure composed of collaborative mechanisms, contribution attribution, peer review, and structured scientific knowledge networks. Due to the lack of modeling for these critical dimensions, current systems struggle to establish a genuine research ecosystem or interact deeply with the human scientific community. To bridge this gap, we introduce OmniScientist, a framework that explicitly encodes the underlying mechanisms of human research into the AI scientific workflow. OmniScientist not only achieves end-to-end automation across data foundation, literature review, research ideation, experiment automation, scientific writing, and peer review, but also provides comprehensive infrastructural support by simulating the human scientific system, comprising: (1) a structured knowledge system built upon citation networks and conceptual correlations; (2) a collaborative research protocol (OSP), which enables seamless multi-agent collaboration and human researcher participation; and (3) an open evaluation platform (ScienceArena) based on blind pairwise user voting and Elo rankings. This infrastructure empowers agents to not only comprehend and leverage human knowledge systems but also to collaborate and co-evolve, fostering a sustainable and scalable innovation ecosystem.

Domain-specific named entity recognition (NER) on Computer Science (CS) scholarly articles is an information extraction task that is arguably more challenging for the various annotation aims that can beset the task and has been less studied than NER in the general domain. Given that significant progress has been made on NER, we believe that scholarly domain-specific NER will receive increasing attention in the years to come. Currently, progress on CS NER -- the focus of this work -- is hampered in part by its recency and the lack of a standardized annotation aim for scientific entities/terms. This work proposes a standardized task by defining a set of seven contribution-centric scholarly entities for CS NER viz., research problem, solution, resource, language, tool, method, and dataset. Following which, its main contributions are: combines existing CS NER resources that maintain their annotation focus on the set or subset of contribution-centric scholarly entities we consider; further, noting the need for big data to train neural NER models, this work additionally supplies thousands of contribution-centric entity annotations from article titles and abstracts, thus releasing a cumulative large novel resource for CS NER; and, finally, trains a sequence labeling CS NER model inspired after state-of-the-art neural architectures from the general domain NER task. Throughout the work, several practical considerations are made which can be useful to information technology designers of the digital libraries.

This paper presents the development of a specialized chatbot for materials science, leveraging the Llama-2 language model, and continuing pre-training on the expansive research articles in the materials science domain from the S2ORC dataset. The methodology involves an initial pretraining phase on over one million domain-specific papers, followed by an instruction-tuning process to refine the chatbot's capabilities. The chatbot is designed to assist researchers, educators, and students by providing instant, context-aware responses to queries in the field of materials science. We make the four trained checkpoints (7B, 13B, with or without chat ability) freely available to the research community at https://github.com/Xianjun-Yang/Quokka.

In modern data-driven science, reproducibility and reusability are key challenges. Scientists are well skilled in the process from data to publication. Although some publication channels require source code and data to be made accessible, rerunning and verifying experiments is usually hard due to a lack of standards. Therefore, reusing existing scientific data processing code from state-of-the-art research is hard as well. This is why we introduce CLAIMED, which has a proven track record in scientific research for addressing the repeatability and reusability issues in modern data-driven science. CLAIMED is a framework to build reusable operators and scalable scientific workflows by supporting the scientist to draw from previous work by re-composing workflows from existing libraries of coarse-grained scientific operators. Although various implementations exist, CLAIMED is programming language, scientific library, and execution environment agnostic.

The rapid advancement of transformer-based language models has catalyzed breakthroughs in biomedical and clinical natural language processing; however, plant science remains markedly underserved by such domain-adapted tools. In this work, we present PlantBert, a high-performance, open-source language model specifically tailored for extracting structured knowledge from plant stress-response literature. Built upon the DeBERTa architecture-known for its disentangled attention and robust contextual encoding-PlantBert is fine-tuned on a meticulously curated corpus of expert-annotated abstracts, with a primary focus on lentil (Lens culinaris) responses to diverse abiotic and biotic stressors. Our methodology combines transformer-based modeling with rule-enhanced linguistic post-processing and ontology-grounded entity normalization, enabling PlantBert to capture biologically meaningful relationships with precision and semantic fidelity. The underlying corpus is annotated using a hierarchical schema aligned with the Crop Ontology, encompassing molecular, physiological, biochemical, and agronomic dimensions of plant adaptation. PlantBert exhibits strong generalization capabilities across entity types and demonstrates the feasibility of robust domain adaptation in low-resource scientific fields. By providing a scalable and reproducible framework for high-resolution entity recognition, PlantBert bridges a critical gap in agricultural NLP and paves the way for intelligent, data-driven systems in plant genomics, phenomics, and agronomic knowledge discovery. Our model is publicly released to promote transparency and accelerate cross-disciplinary innovation in computational plant science.

Large Language Models (LLMs) have exhibited remarkable capabilities in understanding and interacting with natural language across various sectors. However, their effectiveness is limited in specialized areas requiring high accuracy, such as plant science, due to a lack of specific expertise in these fields. This paper introduces PLLaMa, an open-source language model that evolved from LLaMa-2. It's enhanced with a comprehensive database, comprising more than 1.5 million scholarly articles in plant science. This development significantly enriches PLLaMa with extensive knowledge and proficiency in plant and agricultural sciences. Our initial tests, involving specific datasets related to plants and agriculture, show that PLLaMa substantially improves its understanding of plant science-related topics. Moreover, we have formed an international panel of professionals, including plant scientists, agricultural engineers, and plant breeders. This team plays a crucial role in verifying the accuracy of PLLaMa's responses to various academic inquiries, ensuring its effective and reliable application in the field. To support further research and development, we have made the model's checkpoints and source codes accessible to the scientific community. These resources are available for download at https://github.com/Xianjun-Yang/PLLaMa.

Large Language Models (LLMs) are distinguished by their architecture, which dictates their parameter size and performance capabilities. Social scientists have increasingly adopted LLMs for text classification tasks, which are difficult to scale with human coders. While very large, closed-source models often deliver superior performance, their use presents significant risks. These include lack of transparency, potential exposure of sensitive data, challenges to replicability, and dependence on proprietary systems. Additionally, their high costs make them impractical for large-scale research projects. In contrast, open-source models, although available in various sizes, may underperform compared to commercial alternatives if used without further fine-tuning. However, open-source models offer distinct advantages: they can be run locally (ensuring data privacy), fine-tuned for specific tasks, shared within the research community, and integrated into reproducible workflows. This study demonstrates that small, fine-tuned open-source LLMs can achieve equal or superior performance to models such as ChatGPT-4. We further explore the relationship between training set size and fine-tuning efficacy in open-source models. Finally, we propose a hybrid workflow that leverages the strengths of both open and closed models, offering a balanced approach to performance, transparency, and reproducibility.

This paper explores the use of open generative Large Language Models (LLMs) for annotation tasks in the social sciences. The study highlights the challenges associated with proprietary models, such as limited reproducibility and privacy concerns, and advocates for the adoption of open (source) models that can be operated on independent devices. Two examples of annotation tasks, sentiment analysis in tweets and identification of leisure activities in childhood aspirational essays are provided. The study evaluates the performance of different prompting strategies and models (neural-chat-7b-v3-2, Starling-LM-7B-alpha, openchat_3.5, zephyr-7b-alpha and zephyr-7b-beta). The results indicate the need for careful validation and tailored prompt engineering. The study highlights the advantages of open models for data privacy and reproducibility.

The development of robust safety benchmarks for large language models requires open, reproducible datasets that can measure both appropriate refusal of harmful content and potential over-restriction of legitimate scientific discourse. We present an open-source dataset and testing framework for evaluating LLM safety mechanisms across mainly controlled substance queries, analyzing four major models' responses to systematically varied prompts. Our results reveal distinct safety profiles: Claude-3.5-sonnet demonstrated the most conservative approach with 73% refusals and 27% allowances, while Mistral attempted to answer 100% of queries. GPT-3.5-turbo showed moderate restriction with 10% refusals and 90% allowances, and Grok-2 registered 20% refusals and 80% allowances. Testing prompt variation strategies revealed decreasing response consistency, from 85% with single prompts to 65% with five variations. This publicly available benchmark enables systematic evaluation of the critical balance between necessary safety restrictions and potential over-censorship of legitimate scientific inquiry, while providing a foundation for measuring progress in AI safety implementation. Chain-of-thought analysis reveals potential vulnerabilities in safety mechanisms, highlighting the complexity of implementing robust safeguards without unduly restricting desirable and valid scientific discourse.

Precise crop yield predictions are of national importance for ensuring food security and sustainable agricultural practices. While AI-for-science approaches have exhibited promising achievements in solving many scientific problems such as drug discovery, precipitation nowcasting, etc., the development of deep learning models for predicting crop yields is constantly hindered by the lack of an open and large-scale deep learning-ready dataset with multiple modalities to accommodate sufficient information. To remedy this, we introduce the CropNet dataset, the first terabyte-sized, publicly available, and multi-modal dataset specifically targeting climate change-aware crop yield predictions for the contiguous United States (U.S.) continent at the county level. Our CropNet dataset is composed of three modalities of data, i.e., Sentinel-2 Imagery, WRF-HRRR Computed Dataset, and USDA Crop Dataset, for over 2200 U.S. counties spanning 6 years (2017-2022), expected to facilitate researchers in developing versatile deep learning models for timely and precisely predicting crop yields at the county-level, by accounting for the effects of both short-term growing season weather variations and long-term climate change on crop yields. Besides, we develop the CropNet package, offering three types of APIs, for facilitating researchers in downloading the CropNet data on the fly over the time and region of interest, and flexibly building their deep learning models for accurate crop yield predictions. Extensive experiments have been conducted on our CropNet dataset via employing various types of deep learning solutions, with the results validating the general applicability and the efficacy of the CropNet dataset in climate change-aware crop yield predictions.

Climate data science faces persistent barriers stemming from the fragmented nature of data sources, heterogeneous formats, and the steep technical expertise required to identify, acquire, and process datasets. These challenges limit participation, slow discovery, and reduce the reproducibility of scientific workflows. In this paper, we present a proof of concept for addressing these barriers through the integration of a curated knowledge graph (KG) with AI agents designed for cloud-native scientific workflows. The KG provides a unifying layer that organizes datasets, tools, and workflows, while AI agents -- powered by generative AI services -- enable natural language interaction, automated data access, and streamlined analysis. Together, these components drastically lower the technical threshold for engaging in climate data science, enabling non-specialist users to identify and analyze relevant datasets. By leveraging existing cloud-ready API data portals, we demonstrate that "a knowledge graph is all you need" to unlock scalable and agentic workflows for scientific inquiry. The open-source design of our system further supports community contributions, ensuring that the KG and associated tools can evolve as a shared commons. Our results illustrate a pathway toward democratizing access to climate data and establishing a reproducible, extensible framework for human--AI collaboration in scientific research.

Information overload is a major obstacle to scientific progress. The explosive growth in scientific literature and data has made it ever harder to discover useful insights in a large mass of information. Today scientific knowledge is accessed through search engines, but they are unable to organize scientific knowledge alone. In this paper we introduce Galactica: a large language model that can store, combine and reason about scientific knowledge. We train on a large scientific corpus of papers, reference material, knowledge bases and many other sources. We outperform existing models on a range of scientific tasks. On technical knowledge probes such as LaTeX equations, Galactica outperforms the latest GPT-3 by 68.2% versus 49.0%. Galactica also performs well on reasoning, outperforming Chinchilla on mathematical MMLU by 41.3% to 35.7%, and PaLM 540B on MATH with a score of 20.4% versus 8.8%. It also sets a new state-of-the-art on downstream tasks such as PubMedQA and MedMCQA dev of 77.6% and 52.9%. And despite not being trained on a general corpus, Galactica outperforms BLOOM and OPT-175B on BIG-bench. We believe these results demonstrate the potential for language models as a new interface for science. We open source the model for the benefit of the scientific community.

As large language models (LLMs) advance, the ultimate vision for their role in science is emerging: we could build an AI collaborator to effectively assist human beings throughout the entire scientific research process. We refer to this envisioned system as ResearchGPT. Given that scientific research progresses through multiple interdependent phases, achieving this vision requires rigorous benchmarks that evaluate the end-to-end workflow rather than isolated sub-tasks. To this end, we contribute CS-54k, a high-quality corpus of scientific Q&A pairs in computer science, built from 14k CC-licensed papers. It is constructed through a scalable, paper-grounded pipeline that combines retrieval-augmented generation (RAG) with multi-stage quality control to ensure factual grounding. From this unified corpus, we derive two complementary subsets: CS-4k, a carefully curated benchmark for evaluating AI's ability to assist scientific research, and CS-50k, a large-scale training dataset. Extensive experiments demonstrate that CS-4k stratifies state-of-the-art LLMs into distinct capability tiers. Open models trained on CS-50k with supervised training and reinforcement learning demonstrate substantial improvements. Even 7B-scale models, when properly trained, outperform many larger proprietary systems, such as GPT-4.1, GPT-4o, and Gemini 2.5 Pro. This indicates that making AI models better research assistants relies more on domain-aligned training with high-quality data than on pretraining scale or general benchmark performance. We release CS-4k and CS-50k in the hope of fostering AI systems as reliable collaborators in CS research.

Using LLMs to give educational feedback to students for their assignments has attracted much attention in the AI in Education field. Yet, there is currently no large-scale open-source dataset of student assignments that includes detailed assignment descriptions, rubrics, and student submissions across various courses. As a result, research on generalisable methodology for automatic generation of effective and responsible educational feedback remains limited. In the current study, we constructed a large-scale dataset of Synthetic Computer science Assignments for LLM-generated Educational Feedback research (SCALEFeedback). We proposed a Sophisticated Assignment Mimicry (SAM) framework to generate the synthetic dataset by one-to-one LLM-based imitation from real assignment descriptions, student submissions to produce their synthetic versions. Our open-source dataset contains 10,000 synthetic student submissions spanning 155 assignments across 59 university-level computer science courses. Our synthetic submissions achieved BERTScore F1 0.84, PCC of 0.62 for assignment marks and 0.85 for length, compared to the corresponding real-world assignment dataset, while ensuring perfect protection of student private information. All these results of our SAM framework outperformed results of a naive mimicry method baseline. The LLM-generated feedback for our synthetic assignments demonstrated the same level of effectiveness compared to that of real-world assignment dataset. Our research showed that one-to-one LLM imitation is a promising method for generating open-source synthetic educational datasets that preserve the original dataset's semantic meaning and student data distribution, while protecting student privacy and institutional copyright. SCALEFeedback enhances our ability to develop LLM-based generalisable methods for offering high-quality, automated educational feedback in a scalable way.

As foundation models grow rapidly in capability and deployment, evaluating their scientific understanding becomes increasingly critical. Existing science benchmarks have made progress towards broad **Range**, wide **Reach**, and high **Rigor**, yet they often face two major challenges: **data leakage risks** that compromise benchmarking validity, and **evaluation inefficiency** due to large-scale testing. To address these issues, we introduce the **Ever-Evolving Science Exam (EESE)**, a dynamic benchmark designed to reliably assess scientific capabilities in foundation models. Our approach consists of two components: 1) a non-public **EESE-Pool** with over 100K expertly constructed science instances (question-answer pairs) across 5 disciplines and 500+ subfields, built through a multi-stage pipeline ensuring **Range**, **Reach**, and **Rigor**, 2) a periodically updated 500-instance subset **EESE**, sampled and validated to enable leakage-resilient, low-overhead evaluations. Experiments on 32 open- and closed-source models demonstrate that EESE effectively differentiates the strengths and weaknesses of models in scientific fields and cognitive dimensions. Overall, EESE provides a robust, scalable, and forward-compatible solution for science benchmark design, offering a realistic measure of how well foundation models handle science questions. The project page is at: https://github.com/aiben-ch/EESE.

NLP has recently made exciting progress toward training language models (LMs) with strong scientific problem-solving skills. However, model development has not focused on real-life use-cases of LMs for science, including applications in education that require processing long scientific documents. To address this, we introduce TutorEval and TutorChat. TutorEval is a diverse question-answering benchmark consisting of questions about long chapters from STEM textbooks, written by experts. TutorEval helps measure real-life usability of LMs as scientific assistants, and it is the first benchmark combining long contexts, free-form generation, and multi-disciplinary scientific knowledge. Moreover, we show that fine-tuning base models with existing dialogue datasets leads to poor performance on TutorEval. Therefore, we create TutorChat, a dataset of 80,000 long synthetic dialogues about textbooks. We use TutorChat to fine-tune Llemma models with 7B and 34B parameters. These LM tutors specialized in math have a 32K-token context window, and they excel at TutorEval while performing strongly on GSM8K and MATH. Our datasets build on open-source materials, and we release our models, data, and evaluations.

PySR is an open-source library for practical symbolic regression, a type of machine learning which aims to discover human-interpretable symbolic models. PySR was developed to democratize and popularize symbolic regression for the sciences, and is built on a high-performance distributed back-end, a flexible search algorithm, and interfaces with several deep learning packages. PySR's internal search algorithm is a multi-population evolutionary algorithm, which consists of a unique evolve-simplify-optimize loop, designed for optimization of unknown scalar constants in newly-discovered empirical expressions. PySR's backend is the extremely optimized Julia library SymbolicRegression.jl, which can be used directly from Julia. It is capable of fusing user-defined operators into SIMD kernels at runtime, performing automatic differentiation, and distributing populations of expressions to thousands of cores across a cluster. In describing this software, we also introduce a new benchmark, "EmpiricalBench," to quantify the applicability of symbolic regression algorithms in science. This benchmark measures recovery of historical empirical equations from original and synthetic datasets.

Artificial intelligence is gradually demonstrating its immense potential, and increasing attention is being given to how AI can be harnessed to advance scientific research. In this vision paper, we present our perspectives on how AI can better assist scientific inquiry and explore corresponding technical approach. We have proposed and open-sourced a large model of our KALE-LM model series, Llama3-KALE-LM-Chem-8B, which has achieved outstanding performance in tasks related to the field of chemistry. We hope that our work serves as a strong starting point, helping to realize more intelligent AI and promoting the advancement of human science and technology, as well as societal development.

Large Language Model (LLM)-based agents have demonstrated remarkable effectiveness. However, their performance can be compromised in data science scenarios that require real-time data adjustment, expertise in optimization due to complex dependencies among various tasks, and the ability to identify logical errors for precise reasoning. In this study, we introduce the Data Interpreter, a solution designed to solve with code that emphasizes three pivotal techniques to augment problem-solving in data science: 1) dynamic planning with hierarchical graph structures for real-time data adaptability;2) tool integration dynamically to enhance code proficiency during execution, enriching the requisite expertise;3) logical inconsistency identification in feedback, and efficiency enhancement through experience recording. We evaluate the Data Interpreter on various data science and real-world tasks. Compared to open-source baselines, it demonstrated superior performance, exhibiting significant improvements in machine learning tasks, increasing from 0.86 to 0.95. Additionally, it showed a 26% increase in the MATH dataset and a remarkable 112% improvement in open-ended tasks. The solution will be released at https://github.com/geekan/MetaGPT.

Language models (LMs) have become ubiquitous in both NLP research and in commercial product offerings. As their commercial importance has surged, the most powerful models have become closed off, gated behind proprietary interfaces, with important details of their training data, architectures, and development undisclosed. Given the importance of these details in scientifically studying these models, including their biases and potential risks, we believe it is essential for the research community to have access to powerful, truly open LMs. To this end, this technical report details the first release of OLMo, a state-of-the-art, truly Open Language Model and its framework to build and study the science of language modeling. Unlike most prior efforts that have only released model weights and inference code, we release OLMo and the whole framework, including training data and training and evaluation code. We hope this release will empower and strengthen the open research community and inspire a new wave of innovation.

The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that cannot adapt to intermediate findings, and inadequate context management that hinders long-horizon research. We present freephdlabor, an open-source multiagent framework featuring fully dynamic workflows determined by real-time agent reasoning and a \textit{modular architecture} enabling seamless customization -- users can modify, add, or remove agents to address domain-specific requirements. The framework provides comprehensive infrastructure including automatic context compaction, workspace-based communication to prevent information degradation, memory persistence across sessions, and non-blocking human intervention mechanisms. These features collectively transform automated research from isolated, single-run attempts into continual research programs that build systematically on prior explorations and incorporate human feedback. By providing both the architectural principles and practical implementation for building customizable co-scientist systems, this work aims to facilitate broader adoption of automated research across scientific domains, enabling practitioners to deploy interactive multiagent systems that autonomously conduct end-to-end research -- from ideation through experimentation to publication-ready manuscripts.

DBLP is the largest open-access repository of scientific articles on computer science and provides metadata associated with publications, authors, and venues. We retrieved more than 6 million publications from DBLP and extracted pertinent metadata (e.g., abstracts, author affiliations, citations) from the publication texts to create the DBLP Discovery Dataset (D3). D3 can be used to identify trends in research activity, productivity, focus, bias, accessibility, and impact of computer science research. We present an initial analysis focused on the volume of computer science research (e.g., number of papers, authors, research activity), trends in topics of interest, and citation patterns. Our findings show that computer science is a growing research field (approx. 15% annually), with an active and collaborative researcher community. While papers in recent years present more bibliographical entries in comparison to previous decades, the average number of citations has been declining. Investigating papers' abstracts reveals that recent topic trends are clearly reflected in D3. Finally, we list further applications of D3 and pose supplemental research questions. The D3 dataset, our findings, and source code are publicly available for research purposes.

Recently, multimodal large language models (MLLMs) have achieved significant advancements across various domains, and corresponding evaluation benchmarks have been continuously refined and improved. In this process, benchmarks in the scientific domain have played an important role in assessing the reasoning capabilities of MLLMs. However, existing benchmarks still face three key challenges: 1) Insufficient evaluation of models' reasoning abilities in multilingual scenarios; 2) Inadequate assessment of MLLMs' comprehensive modality coverage; 3) Lack of fine-grained annotation of scientific knowledge points. To address these gaps, we propose MME-SCI, a comprehensive and challenging benchmark. We carefully collected 1,019 high-quality question-answer pairs, which involve 3 distinct evaluation modes. These pairs cover four subjects, namely mathematics, physics, chemistry, and biology, and support five languages: Chinese, English, French, Spanish, and Japanese. We conducted extensive experiments on 16 open-source models and 4 closed-source models, and the results demonstrate that MME-SCI is widely challenging for existing MLLMs. For instance, under the Image-only evaluation mode, o4-mini achieved accuracy of only 52.11%, 24.73%, 36.57%, and 29.80% in mathematics, physics, chemistry, and biology, respectively, indicating a significantly higher difficulty level compared to existing benchmarks. More importantly, using MME-SCI's multilingual and fine-grained knowledge attributes, we analyzed existing models' performance in depth and identified their weaknesses in specific domains. The Data and Evaluation Code are available at https://github.com/JCruan519/MME-SCI.

In the field of environmental science, it is crucial to have robust evaluation metrics for large language models to ensure their efficacy and accuracy. We propose EnviroExam, a comprehensive evaluation method designed to assess the knowledge of large language models in the field of environmental science. EnviroExam is based on the curricula of top international universities, covering undergraduate, master's, and doctoral courses, and includes 936 questions across 42 core courses. By conducting 0-shot and 5-shot tests on 31 open-source large language models, EnviroExam reveals the performance differences among these models in the domain of environmental science and provides detailed evaluation standards. The results show that 61.3% of the models passed the 5-shot tests, while 48.39% passed the 0-shot tests. By introducing the coefficient of variation as an indicator, we evaluate the performance of mainstream open-source large language models in environmental science from multiple perspectives, providing effective criteria for selecting and fine-tuning language models in this field. Future research will involve constructing more domain-specific test sets using specialized environmental science textbooks to further enhance the accuracy and specificity of the evaluation.

This research explores the integration of large language models (LLMs) into scientific data assimilation, focusing on combustion science as a case study. Leveraging foundational models integrated with Retrieval-Augmented Generation (RAG) framework, the study introduces an approach to process diverse combustion research data, spanning experimental studies, simulations, and literature. The multifaceted nature of combustion research emphasizes the critical role of knowledge processing in navigating and extracting valuable information from a vast and diverse pool of sources. The developed approach minimizes computational and economic expenses while optimizing data privacy and accuracy. It incorporates prompt engineering and offline open-source LLMs, offering user autonomy in selecting base models. The study provides a thorough examination of text segmentation strategies, conducts comparative studies between LLMs, and explores various optimized prompts to demonstrate the effectiveness of the framework. By incorporating an external database, the framework outperforms a conventional LLM in generating accurate responses and constructing robust arguments. Additionally, the study delves into the investigation of optimized prompt templates for the purpose of efficient extraction of scientific literature. The research addresses concerns related to hallucinations and false research articles by introducing a custom workflow developed with a detection algorithm to filter out inaccuracies. Despite identified areas for improvement, the framework consistently delivers accurate domain-specific responses with minimal human oversight. The prompt-agnostic approach introduced holds promise for future deliberations. The study underscores the significance of integrating LLMs and knowledge processing techniques in scientific research, providing a foundation for advancements in data assimilation and utilization.

Large language model (LLM)-powered agents are increasingly used to plan and execute scientific workflows, yet most research cyberinfrastructure (CI) exposes heterogeneous APIs and implements security models that present barriers for use by agents. We report on our experience using the Model Context Protocol (MCP) as a unifying interface that makes research capabilities discoverable, invokable, and composable. Our approach is pragmatic: we implement thin MCP servers over mature services, including Globus Transfer, Compute, and Search; status APIs exposed by computing facilities; Octopus event fabric; and domain-specific tools such as Garden and Galaxy. We use case studies in computational chemistry, bioinformatics, quantum chemistry, and filesystem monitoring to illustrate how this MCP-oriented architecture can be used in practice. We distill lessons learned and outline open challenges in evaluation and trust for agent-led science.

Large language models (LLMs) have shown remarkable potential in various domains, but they often lack the ability to access and reason over domain-specific knowledge and tools. In this paper, we introduced CACTUS (Chemistry Agent Connecting Tool-Usage to Science), an LLM-based agent that integrates cheminformatics tools to enable advanced reasoning and problem-solving in chemistry and molecular discovery. We evaluate the performance of CACTUS using a diverse set of open-source LLMs, including Gemma-7b, Falcon-7b, MPT-7b, Llama2-7b, and Mistral-7b, on a benchmark of thousands of chemistry questions. Our results demonstrate that CACTUS significantly outperforms baseline LLMs, with the Gemma-7b and Mistral-7b models achieving the highest accuracy regardless of the prompting strategy used. Moreover, we explore the impact of domain-specific prompting and hardware configurations on model performance, highlighting the importance of prompt engineering and the potential for deploying smaller models on consumer-grade hardware without significant loss in accuracy. By combining the cognitive capabilities of open-source LLMs with domain-specific tools, CACTUS can assist researchers in tasks such as molecular property prediction, similarity searching, and drug-likeness assessment. Furthermore, CACTUS represents a significant milestone in the field of cheminformatics, offering an adaptable tool for researchers engaged in chemistry and molecular discovery. By integrating the strengths of open-source LLMs with domain-specific tools, CACTUS has the potential to accelerate scientific advancement and unlock new frontiers in the exploration of novel, effective, and safe therapeutic candidates, catalysts, and materials. Moreover, CACTUS's ability to integrate with automated experimentation platforms and make data-driven decisions in real time opens up new possibilities for autonomous discovery.

Battery degradation remains a pivotal concern in the energy storage domain, with machine learning emerging as a potent tool to drive forward insights and solutions. However, this intersection of electrochemical science and machine learning poses complex challenges. Machine learning experts often grapple with the intricacies of battery science, while battery researchers face hurdles in adapting intricate models tailored to specific datasets. Beyond this, a cohesive standard for battery degradation modeling, inclusive of data formats and evaluative benchmarks, is conspicuously absent. Recognizing these impediments, we present BatteryML - a one-step, all-encompass, and open-source platform designed to unify data preprocessing, feature extraction, and the implementation of both traditional and state-of-the-art models. This streamlined approach promises to enhance the practicality and efficiency of research applications. BatteryML seeks to fill this void, fostering an environment where experts from diverse specializations can collaboratively contribute, thus elevating the collective understanding and advancement of battery research.The code for our project is publicly available on GitHub at https://github.com/microsoft/BatteryML.

We present a new kind of question answering dataset, OpenBookQA, modeled after open book exams for assessing human understanding of a subject. The open book that comes with our questions is a set of 1329 elementary level science facts. Roughly 6000 questions probe an understanding of these facts and their application to novel situations. This requires combining an open book fact (e.g., metals conduct electricity) with broad common knowledge (e.g., a suit of armor is made of metal) obtained from other sources. While existing QA datasets over documents or knowledge bases, being generally self-contained, focus on linguistic understanding, OpenBookQA probes a deeper understanding of both the topic---in the context of common knowledge---and the language it is expressed in. Human performance on OpenBookQA is close to 92%, but many state-of-the-art pre-trained QA methods perform surprisingly poorly, worse than several simple neural baselines we develop. Our oracle experiments designed to circumvent the knowledge retrieval bottleneck demonstrate the value of both the open book and additional facts. We leave it as a challenge to solve the retrieval problem in this multi-hop setting and to close the large gap to human performance.

The advancements of language language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about the true capabilities of such agents. In this work, we argue that for an agent to fully automate scientific discovery, it must be able to complete all essential tasks in the workflow. Thus, we call for rigorous assessment of agents on individual tasks in a scientific workflow before making bold claims on end-to-end automation. To this end, we present ScienceAgentBench, a new benchmark for evaluating language agents for data-driven scientific discovery. To ensure the scientific authenticity and real-world relevance of our benchmark, we extract 102 tasks from 44 peer-reviewed publications in four disciplines and engage nine subject matter experts to validate them. We unify the target output for every task to a self-contained Python program file and employ an array of evaluation metrics to examine the generated programs, execution results, and costs. Each task goes through multiple rounds of manual validation by annotators and subject matter experts to ensure its annotation quality and scientific plausibility. We also propose two effective strategies to mitigate data contamination concerns. Using our benchmark, we evaluate five open-weight and proprietary LLMs, each with three frameworks: direct prompting, OpenHands, and self-debug. Given three attempts for each task, the best-performing agent can only solve 32.4% of the tasks independently and 34.3% with expert-provided knowledge. These results underscore the limited capacities of current language agents in generating code for data-driven discovery, let alone end-to-end automation for scientific research.

PlantVillageVQA is a large-scale visual question answering (VQA) dataset derived from the widely used PlantVillage image corpus. It was designed to advance the development and evaluation of vision-language models for agricultural decision-making and analysis. The PlantVillageVQA dataset comprises 193,609 high-quality question-answer (QA) pairs grounded over 55,448 images spanning 14 crop species and 38 disease conditions. Questions are organised into 3 levels of cognitive complexity and 9 distinct categories. Each question category was phrased manually following expert guidance and generated via an automated two-stage pipeline: (1) template-based QA synthesis from image metadata and (2) multi-stage linguistic re-engineering. The dataset was iteratively reviewed by domain experts for scientific accuracy and relevancy. The final dataset was evaluated using three state-of-the-art models for quality assessment. Our objective remains to provide a publicly available, standardised and expert-verified database to enhance diagnostic accuracy for plant disease identifications and advance scientific research in the agricultural domain. Our dataset will be open-sourced at https://huggingface.co/datasets/SyedNazmusSakib/PlantVillageVQA.

The rapid advances of large language models (LLMs), such as ChatGPT, are revolutionizing data science and statistics. These state-of-the-art tools can streamline complex processes. As a result, it reshapes the role of data scientists. We argue that LLMs are transforming the responsibilities of data scientists, shifting their focus from hands-on coding, data-wrangling and conducting standard analyses to assessing and managing analyses performed by these automated AIs. This evolution of roles is reminiscent of the transition from a software engineer to a product manager. We illustrate this transition with concrete data science case studies using LLMs in this paper. These developments necessitate a meaningful evolution in data science education. Pedagogy must now place greater emphasis on cultivating diverse skillsets among students, such as LLM-informed creativity, critical thinking, AI-guided programming. LLMs can also play a significant role in the classroom as interactive teaching and learning tools, contributing to personalized education. This paper discusses the opportunities, resources and open challenges for each of these directions. As with any transformative technology, integrating LLMs into education calls for careful consideration. While LLMs can perform repetitive tasks efficiently, it's crucial to remember that their role is to supplement human intelligence and creativity, not to replace it. Therefore, the new era of data science education should balance the benefits of LLMs while fostering complementary human expertise and innovations. In conclusion, the rise of LLMs heralds a transformative period for data science and its education. This paper seeks to shed light on the emerging trends, potential opportunities, and challenges accompanying this paradigm shift, hoping to spark further discourse and investigation into this exciting, uncharted territory.

Large language models (LLMs) are increasingly being used for complex research tasks such as literature review, idea generation, and scientific paper analysis, yet their ability to truly understand and process the intricate relationships within complex research papers, such as the logical links between claims and supporting evidence remains largely unexplored. In this study, we present CLAIM-BENCH, a comprehensive benchmark for evaluating LLMs' capabilities in scientific claim-evidence extraction and validation, a task that reflects deeper comprehension of scientific argumentation. We systematically compare three approaches which are inspired by divide and conquer approaches, across six diverse LLMs, highlighting model-specific strengths and weaknesses in scientific comprehension. Through evaluation involving over 300 claim-evidence pairs across multiple research domains, we reveal significant limitations in LLMs' ability to process complex scientific content. Our results demonstrate that closed-source models like GPT-4 and Claude consistently outperform open-source counterparts in precision and recall across claim-evidence identification tasks. Furthermore, strategically designed three-pass and one-by-one prompting approaches significantly improve LLMs' abilities to accurately link dispersed evidence with claims, although this comes at increased computational cost. CLAIM-BENCH sets a new standard for evaluating scientific comprehension in LLMs, offering both a diagnostic tool and a path forward for building systems capable of deeper, more reliable reasoning across full-length papers.

What drives exploration? Understanding intrinsic motivation is a long-standing challenge in both cognitive science and artificial intelligence; numerous objectives have been proposed and used to train agents, yet there remains a gap between human and agent exploration. We directly compare adults, children, and AI agents in a complex open-ended environment, Crafter, and study how common intrinsic objectives: Entropy, Information Gain, and Empowerment, relate to their behavior. We find that only Entropy and Empowerment are consistently positively correlated with human exploration progress, indicating that these objectives may better inform intrinsic reward design for agents. Furthermore, across agents and humans we observe that Entropy initially increases rapidly, then plateaus, while Empowerment increases continuously, suggesting that state diversity may provide more signal in early exploration, while advanced exploration should prioritize control. Finally, we find preliminary evidence that private speech utterances, and particularly goal verbalizations, may aid exploration in children. Our data is available at https://github.com/alyd/humans_in_crafter_data.

Science journalism reports current scientific discoveries to non-specialists, aiming to enable public comprehension of the state of the art. However, this task can be challenging as the audience often lacks specific knowledge about the presented research. To address this challenge, we propose a framework that integrates three LLMs mimicking the real-world writing-reading-feedback-revision workflow, with one LLM acting as the journalist, a smaller LLM as the general public reader, and the third LLM as an editor. The journalist's writing is iteratively refined by feedback from the reader and suggestions from the editor. Our experiments demonstrate that by leveraging the collaboration of two 7B and one 1.8B open-source LLMs, we can generate articles that are more accessible than those generated by existing methods, including advanced models such as GPT-4.

Science and Engineering fairs offer K-12 students opportunities to engage with authentic STEM practices. Particularly, students are given the chance to experience authentic and open inquiry processes, by defining which themes, questions and approaches will guide their scientific endeavors. In this study, we analyzed data from over 5,000 projects presented at a nationwide science fair in Brazil over the past 20 years using topic modeling to identify the main topics that have driven students' inquiry and design. Our analysis identified a broad range of topics being explored, with significant variations over time, region, and school setting. We argue those results and proposed methodology can not only support further research in the context of science fairs, but also inform instruction and design of contexts-specific resources to support students in open inquiry experiences in different settings.

The emergence of large language models (LLMs) has resulted in the production of LLM-generated texts that is highly sophisticated and almost indistinguishable from texts written by humans. However, this has also sparked concerns about the potential misuse of such texts, such as spreading misinformation and causing disruptions in the education system. Although many detection approaches have been proposed, a comprehensive understanding of the achievements and challenges is still lacking. This survey aims to provide an overview of existing LLM-generated text detection techniques and enhance the control and regulation of language generation models. Furthermore, we emphasize crucial considerations for future research, including the development of comprehensive evaluation metrics and the threat posed by open-source LLMs, to drive progress in the area of LLM-generated text detection.

The volume of scientific output is creating an urgent need for automated tools to help scientists keep up with developments in their field. Semantic Scholar (S2) is an open data platform and website aimed at accelerating science by helping scholars discover and understand scientific literature. We combine public and proprietary data sources using state-of-the-art techniques for scholarly PDF content extraction and automatic knowledge graph construction to build the Semantic Scholar Academic Graph, the largest open scientific literature graph to-date, with 200M+ papers, 80M+ authors, 550M+ paper-authorship edges, and 2.4B+ citation edges. The graph includes advanced semantic features such as structurally parsed text, natural language summaries, and vector embeddings. In this paper, we describe the components of the S2 data processing pipeline and the associated APIs offered by the platform. We will update this living document to reflect changes as we add new data offerings and improve existing services.

With the explosive growth of scientific publications, making the synthesis of scientific knowledge and fact checking becomes an increasingly complex task. In this paper, we propose a multi-task approach for verifying the scientific questions based on a joint reasoning from facts and evidence in research articles. We propose an intelligent combination of (1) an automatic information summarization and (2) a Boolean Question Answering which allows to generate an answer to a scientific question from only extracts obtained after summarization. Thus on a given topic, our proposed approach conducts structured content modeling based on paper abstracts to answer a scientific question while highlighting texts from paper that discuss the topic. We based our final system on an end-to-end Extractive Question Answering (EQA) combined with a three outputs classification model to perform in-depth semantic understanding of a question to illustrate the aggregation of multiple responses. With our light and fast proposed architecture, we achieved an average error rate of 4% and a F1-score of 95.6%. Our results are supported via experiments with two QA models (BERT, RoBERTa) over 3 Million Open Access (OA) articles in the medical and health domains on Europe PMC.

This paper introduces a high-quality rich annotated Mandarin conversational (RAMC) speech dataset called MagicData-RAMC. The MagicData-RAMC corpus contains 180 hours of conversational speech data recorded from native speakers of Mandarin Chinese over mobile phones with a sampling rate of 16 kHz. The dialogs in MagicData-RAMC are classified into 15 diversified domains and tagged with topic labels, ranging from science and technology to ordinary life. Accurate transcription and precise speaker voice activity timestamps are manually labeled for each sample. Speakers' detailed information is also provided. As a Mandarin speech dataset designed for dialog scenarios with high quality and rich annotations, MagicData-RAMC enriches the data diversity in the Mandarin speech community and allows extensive research on a series of speech-related tasks, including automatic speech recognition, speaker diarization, topic detection, keyword search, text-to-speech, etc. We also conduct several relevant tasks and provide experimental results to help evaluate the dataset.

The ability to discover new materials with desirable properties is critical for numerous applications from helping mitigate climate change to advances in next generation computing hardware. AI has the potential to accelerate materials discovery and design by more effectively exploring the chemical space compared to other computational methods or by trial-and-error. While substantial progress has been made on AI for materials data, benchmarks, and models, a barrier that has emerged is the lack of publicly available training data and open pre-trained models. To address this, we present a Meta FAIR release of the Open Materials 2024 (OMat24) large-scale open dataset and an accompanying set of pre-trained models. OMat24 contains over 110 million density functional theory (DFT) calculations focused on structural and compositional diversity. Our EquiformerV2 models achieve state-of-the-art performance on the Matbench Discovery leaderboard and are capable of predicting ground-state stability and formation energies to an F1 score above 0.9 and an accuracy of 20 meV/atom, respectively. We explore the impact of model size, auxiliary denoising objectives, and fine-tuning on performance across a range of datasets including OMat24, MPtraj, and Alexandria. The open release of the OMat24 dataset and models enables the research community to build upon our efforts and drive further advancements in AI-assisted materials science.

Evaluating the pedagogical capabilities of AI-based tutoring models is critical for making guided progress in the field. Yet, we lack a reliable, easy-to-use, and simple-to-run evaluation that reflects the pedagogical abilities of models. To fill this gap, we present MathTutorBench, an open-source benchmark for holistic tutoring model evaluation. MathTutorBench contains a collection of datasets and metrics that broadly cover tutor abilities as defined by learning sciences research in dialog-based teaching. To score the pedagogical quality of open-ended teacher responses, we train a reward model and show it can discriminate expert from novice teacher responses with high accuracy. We evaluate a wide set of closed- and open-weight models on MathTutorBench and find that subject expertise, indicated by solving ability, does not immediately translate to good teaching. Rather, pedagogy and subject expertise appear to form a trade-off that is navigated by the degree of tutoring specialization of the model. Furthermore, tutoring appears to become more challenging in longer dialogs, where simpler questioning strategies begin to fail. We release the benchmark, code, and leaderboard openly to enable rapid benchmarking of future models.

We introduce the Discrete Min-Max Violation (DMMV) as a general optimization problem which seeks an assignment of discrete values to variables that minimizes the largest constraint violation. This context-free mathematical formulation is applicable to a wide range of use cases that have worst-case performance requirements. After defining the DMMV problem mathematically, we explore its properties to establish a foundational understanding. To tackle DMMV instance sizes of practical relevance, we develop a GPU-accelerated heuristic that takes advantage of the mathematical properties of DMMV for speeding up the solution process. We demonstrate the versatile applicability of our heuristic by solving three optimization problems as use cases: (1) post-training quantization of language models, (2) discrete tomography, and (3) Finite Impulse Response (FIR) filter design. In quantization without outlier separation, our heuristic achieves 14% improvement on average over existing methods. In discrete tomography, it reduces reconstruction error by 16% under uniform noise and accelerates computations by a factor of 6 on GPU. For FIR filter design, it nearly achieves 50% ripple reduction compared to using the commercial integer optimization solver, Gurobi. Our comparative results point to the benefits of studying DMMV as a context-free optimization problem and the advantages that our proposed heuristic offers on three distinct problems. Our GPU-accelerated heuristic will be made open-source to further stimulate research on DMMV and its other applications. The code is available at https://anonymous.4open.science/r/AMVM-5F3E/

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

Identifying useful sorbent materials for direct air capture (DAC) from humid air remains a challenge. We present the Open DAC 2025 (ODAC25) dataset, a significant expansion and improvement upon ODAC23 (Sriram et al., ACS Central Science, 10 (2024) 923), comprising nearly 70 million DFT single-point calculations for CO_2, H_2O, N_2, and O_2 adsorption in 15,000 MOFs. ODAC25 introduces chemical and configurational diversity through functionalized MOFs, high-energy GCMC-derived placements, and synthetically generated frameworks. ODAC25 also significantly improves upon the accuracy of DFT calculations and the treatment of flexible MOFs in ODAC23. Along with the dataset, we release new state-of-the-art machine-learned interatomic potentials trained on ODAC25 and evaluate them on adsorption energy and Henry's law coefficient predictions.

Despite their success in numerous fields, the potential of foundation models for modeling and understanding human behavior remains largely unexplored. We introduce Be.FM, one of the first open foundation models designed for human behavior modeling. Built upon open-source large language models and fine-tuned on a diverse range of behavioral data, Be.FM can be used to understand and predict human decision-making. We construct a comprehensive set of benchmark tasks for testing the capabilities of behavioral foundation models. Our results demonstrate that Be.FM can predict behaviors, infer characteristics of individuals and populations, generate insights about contexts, and apply behavioral science knowledge.

Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent developments demonstrate that the latest class of models are able to integrate structured and unstructured data, assist in hypothesis generation, and streamline research workflows. To explore the frontier of LLM capabilities across the research lifecycle, we review applications of LLMs through 34 total projects developed during the second annual Large Language Model Hackathon for Applications in Materials Science and Chemistry, a global hybrid event. These projects spanned seven key research areas: (1) molecular and material property prediction, (2) molecular and material design, (3) automation and novel interfaces, (4) scientific communication and education, (5) research data management and automation, (6) hypothesis generation and evaluation, and (7) knowledge extraction and reasoning from the scientific literature. Collectively, these applications illustrate how LLMs serve as versatile predictive models, platforms for rapid prototyping of domain-specific tools, and much more. In particular, improvements in both open source and proprietary LLM performance through the addition of reasoning, additional training data, and new techniques have expanded effectiveness, particularly in low-data environments and interdisciplinary research. As LLMs continue to improve, their integration into scientific workflows presents both new opportunities and new challenges, requiring ongoing exploration, continued refinement, and further research to address reliability, interpretability, and reproducibility.

Data-driven scientific discovery requires the iterative integration of scientific domain knowledge, statistical expertise, and an understanding of data semantics to make nuanced analytical decisions, e.g., about which variables, transformations, and statistical models to consider. LM-based agents equipped with planning, memory, and code execution capabilities have the potential to support data-driven science. However, evaluating agents on such open-ended tasks is challenging due to multiple valid approaches, partially correct steps, and different ways to express the same decisions. To address these challenges, we present BLADE, a benchmark to automatically evaluate agents' multifaceted approaches to open-ended research questions. BLADE consists of 12 datasets and research questions drawn from existing scientific literature, with ground truth collected from independent analyses by expert data scientists and researchers. To automatically evaluate agent responses, we developed corresponding computational methods to match different representations of analyses to this ground truth. Though language models possess considerable world knowledge, our evaluation shows that they are often limited to basic analyses. However, agents capable of interacting with the underlying data demonstrate improved, but still non-optimal, diversity in their analytical decision making. Our work enables the evaluation of agents for data-driven science and provides researchers deeper insights into agents' analysis approaches.

Language models (LMs) can perform complex reasoning either end-to-end, with hidden latent state, or compositionally, with transparent intermediate state. Composition offers benefits for interpretability and safety, but may need workflow support and infrastructure to remain competitive. We describe iterated decomposition, a human-in-the-loop workflow for developing and refining compositional LM programs. We improve the performance of compositions by zooming in on failing components and refining them through decomposition, additional context, chain of thought, etc. To support this workflow, we develop ICE, an open-source tool for visualizing the execution traces of LM programs. We apply iterated decomposition to three real-world tasks and improve the accuracy of LM programs over less compositional baselines: describing the placebo used in a randomized controlled trial (25% to 65%), evaluating participant adherence to a medical intervention (53% to 70%), and answering NLP questions on the Qasper dataset (38% to 69%). These applications serve as case studies for a workflow that, if automated, could keep ML systems interpretable and safe even as they scale to increasingly complex tasks.

The theory of open quantum systems lays the foundations for a substantial part of modern research in quantum science and engineering. Rooted in the dimensionality of their extended Hilbert spaces, the high computational complexity of simulating open quantum systems calls for the development of strategies to approximate their dynamics. In this paper, we present an approach for tackling open quantum system dynamics. Using an exact probabilistic formulation of quantum physics based on positive operator-valued measure (POVM), we compactly represent quantum states with autoregressive transformer neural networks; such networks bring significant algorithmic flexibility due to efficient exact sampling and tractable density. We further introduce the concept of String States to partially restore the symmetry of the autoregressive transformer neural network and improve the description of local correlations. Efficient algorithms have been developed to simulate the dynamics of the Liouvillian superoperator using a forward-backward trapezoid method and find the steady state via a variational formulation. Our approach is benchmarked on prototypical one and two-dimensional systems, finding results which closely track the exact solution and achieve higher accuracy than alternative approaches based on using Markov chain Monte Carlo to sample restricted Boltzmann machines. Our work provides general methods for understanding quantum dynamics in various contexts, as well as techniques for solving high-dimensional probabilistic differential equations in classical setups.

As machine learning systems become ubiquitous, there has been a surge of interest in interpretable machine learning: systems that provide explanation for their outputs. These explanations are often used to qualitatively assess other criteria such as safety or non-discrimination. However, despite the interest in interpretability, there is very little consensus on what interpretable machine learning is and how it should be measured. In this position paper, we first define interpretability and describe when interpretability is needed (and when it is not). Next, we suggest a taxonomy for rigorous evaluation and expose open questions towards a more rigorous science of interpretable machine learning.

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.

Autonomous data science, from raw data sources to analyst-grade deep research reports, has been a long-standing challenge, and is now becoming feasible with the emergence of powerful large language models (LLMs). Recent workflow-based data agents have shown promising results on specific data tasks but remain fundamentally limited in achieving fully autonomous data science due to their reliance on predefined workflows. In this paper, we introduce DeepAnalyze-8B, the first agentic LLM designed for autonomous data science, capable of automatically completing the end-toend pipeline from data sources to analyst-grade deep research reports. To tackle high-complexity data science tasks, we propose a curriculum-based agentic training paradigm that emulates the learning trajectory of human data scientists, enabling LLMs to progressively acquire and integrate multiple capabilities in real-world environments. We also introduce a data-grounded trajectory synthesis framework that constructs high-quality training data. Through agentic training, DeepAnalyze learns to perform a broad spectrum of data tasks, ranging from data question answering and specialized analytical tasks to open-ended data research. Experiments demonstrate that, with only 8B parameters, DeepAnalyze outperforms previous workflow-based agents built on most advanced proprietary LLMs. The model, code, and training data of DeepAnalyze are open-sourced, paving the way toward autonomous data science.

Language models have become a critical technology to tackling a wide range of natural language processing tasks, yet many details about how the best-performing language models were developed are not reported. In particular, information about their pretraining corpora is seldom discussed: commercial language models rarely provide any information about their data; even open models rarely release datasets they are trained on, or an exact recipe to reproduce them. As a result, it is challenging to conduct certain threads of language modeling research, such as understanding how training data impacts model capabilities and shapes their limitations. To facilitate open research on language model pretraining, we release Dolma, a three trillion tokens English corpus, built from a diverse mixture of web content, scientific papers, code, public-domain books, social media, and encyclopedic materials. In addition, we open source our data curation toolkit to enable further experimentation and reproduction of our work. In this report, we document Dolma, including its design principles, details about its construction, and a summary of its contents. We interleave this report with analyses and experimental results from training language models on intermediate states of Dolma to share what we have learned about important data curation practices, including the role of content or quality filters, deduplication, and multi-source mixing. Dolma has been used to train OLMo, a state-of-the-art, open language model and framework designed to build and study the science of language modeling.

Data are crucial in various computer-related fields, including music information retrieval (MIR), an interdisciplinary area bridging computer science and music. This paper introduces CCMusic, an open and diverse database comprising multiple datasets specifically designed for tasks related to Chinese music, highlighting our focus on this culturally rich domain. The database integrates both published and unpublished datasets, with steps taken such as data cleaning, label refinement, and data structure unification to ensure data consistency and create ready-to-use versions. We conduct benchmark evaluations for all datasets using a unified evaluation framework developed specifically for this purpose. This publicly available framework supports both classification and detection tasks, ensuring standardized and reproducible results across all datasets. The database is hosted on HuggingFace and ModelScope, two open and multifunctional data and model hosting platforms, ensuring ease of accessibility and usability.

Human feedback on conversations with language language models (LLMs) is central to how these systems learn about the world, improve their capabilities, and are steered toward desirable and safe behaviors. However, this feedback is mostly collected by frontier AI labs and kept behind closed doors. In this work, we bring together interdisciplinary experts to assess the opportunities and challenges to realizing an open ecosystem of human feedback for AI. We first look for successful practices in peer production, open source, and citizen science communities. We then characterize the main challenges for open human feedback. For each, we survey current approaches and offer recommendations. We end by envisioning the components needed to underpin a sustainable and open human feedback ecosystem. In the center of this ecosystem are mutually beneficial feedback loops, between users and specialized models, incentivizing a diverse stakeholders community of model trainers and feedback providers to support a general open feedback pool.

In this work, we use large language models (LLMs) to augment and accelerate research on the P versus NP problem, one of the most important open problems in theoretical computer science and mathematics. Specifically, we propose Socratic reasoning, a general framework that promotes in-depth thinking with LLMs for complex problem-solving. Socratic reasoning encourages LLMs to recursively discover, solve, and integrate problems while facilitating self-evaluation and refinement. Our pilot study on the P vs. NP problem shows that GPT-4 successfully produces a proof schema and engages in rigorous reasoning throughout 97 dialogue turns, concluding "P neq NP", which is in alignment with (Xu and Zhou, 2023). The investigation uncovers novel insights within the extensive solution space of LLMs, shedding light on LLM for Science.

Solving expert-level multimodal tasks is a key milestone towards general intelligence. As the capabilities of multimodal large language models (MLLMs) continue to improve, evaluation of such advanced multimodal intelligence becomes necessary yet challenging. In this work, we introduce ProBench, a benchmark of open-ended user queries that require professional expertise and advanced reasoning. ProBench consists of 4,000 high-quality samples independently submitted by professionals based on their daily productivity demands. It spans across 10 fields and 56 sub-fields, including science, arts, humanities, coding, mathematics, and creative writing. Experimentally, we evaluate and compare 24 latest models using MLLM-as-a-Judge. Our results reveal that although the best open-source models rival the proprietary ones, ProBench presents significant challenges in visual perception, textual understanding, domain knowledge and advanced reasoning, thus providing valuable directions for future multimodal AI research efforts.

Modern climate projections lack adequate spatial and temporal resolution due to computational constraints. A consequence is inaccurate and imprecise predictions of critical processes such as storms. Hybrid methods that combine physics with machine learning (ML) have introduced a new generation of higher fidelity climate simulators that can sidestep Moore's Law by outsourcing compute-hungry, short, high-resolution simulations to ML emulators. However, this hybrid ML-physics simulation approach requires domain-specific treatment and has been inaccessible to ML experts because of lack of training data and relevant, easy-to-use workflows. We present ClimSim, the largest-ever dataset designed for hybrid ML-physics research. It comprises multi-scale climate simulations, developed by a consortium of climate scientists and ML researchers. It consists of 5.7 billion pairs of multivariate input and output vectors that isolate the influence of locally-nested, high-resolution, high-fidelity physics on a host climate simulator's macro-scale physical state. The dataset is global in coverage, spans multiple years at high sampling frequency, and is designed such that resulting emulators are compatible with downstream coupling into operational climate simulators. We implement a range of deterministic and stochastic regression baselines to highlight the ML challenges and their scoring. The data (https://huggingface.co/datasets/LEAP/ClimSim_high-res, https://huggingface.co/datasets/LEAP/ClimSim_low-res, and https://huggingface.co/datasets/LEAP/ClimSim_low-res_aqua-planet) and code (https://leap-stc.github.io/ClimSim) are released openly to support the development of hybrid ML-physics and high-fidelity climate simulations for the benefit of science and society.

Data science, which transforms raw data into actionable insights, is critical for data-driven decision-making. However, these tasks are often complex, involving steps for exploring multiple data sources and synthesizing findings to deliver insightful answers. While large language models (LLMs) show significant promise in automating this process, they often struggle with heterogeneous data formats and generate sub-optimal analysis plans, as verifying plan sufficiency is inherently difficult without ground-truth labels for such open-ended tasks. To overcome these limitations, we introduce DS-STAR, a novel data science agent. Specifically, DS-STAR makes three key contributions: (1) a data file analysis module that automatically explores and extracts context from diverse data formats, including unstructured types; (2) a verification step where an LLM-based judge evaluates the sufficiency of the analysis plan at each stage; and (3) a sequential planning mechanism that starts with a simple, executable plan and iteratively refines it based on the DS-STAR's feedback until its sufficiency is verified. This iterative refinement allows DS-STAR to reliably navigate complex analyses involving diverse data sources. Our experiments show that DS-STAR achieves state-of-the-art performance across three challenging benchmarks: DABStep, KramaBench, and DA-Code. Moreover, DS-STAR particularly outperforms baselines on hard tasks that require processing multiple data files with heterogeneous formats.

Hypothetical induction is recognized as the main reasoning type when scientists make observations about the world and try to propose hypotheses to explain those observations. Past research on hypothetical induction is under a constrained setting: (1) the observation annotations in the dataset are carefully manually handpicked sentences (resulting in a close-domain setting); and (2) the ground truth hypotheses are mostly commonsense knowledge, making the task less challenging. In this work, we tackle these problems by proposing the first dataset for social science academic hypotheses discovery, with the final goal to create systems that automatically generate valid, novel, and helpful scientific hypotheses, given only a pile of raw web corpus. Unlike previous settings, the new dataset requires (1) using open-domain data (raw web corpus) as observations; and (2) proposing hypotheses even new to humanity. A multi-module framework is developed for the task, including three different feedback mechanisms to boost performance, which exhibits superior performance in terms of both GPT-4 based and expert-based evaluation. To the best of our knowledge, this is the first work showing that LLMs are able to generate novel (''not existing in literature'') and valid (''reflecting reality'') scientific hypotheses.

We present a shared data model for enabling data science in Massive Open Online Courses (MOOCs). The model captures students interactions with the online platform. The data model is platform agnostic and is based on some basic core actions that students take on an online learning platform. Students usually interact with the platform in four different modes: Observing, Submitting, Collaborating and giving feedback. In observing mode students are simply browsing the online platform, watching videos, reading material, reading book or watching forums. In submitting mode, students submit information to the platform. This includes submissions towards quizzes, homeworks, or any assessment modules. In collaborating mode students interact with other students or instructors on forums, collaboratively editing wiki or chatting on google hangout or other hangout venues. With this basic definitions of activities, and a data model to store events pertaining to these activities, we then create a common terminology to map Coursera and edX data into this shared data model. This shared data model called MOOCdb becomes the foundation for a number of collaborative frameworks that enable progress in data science without the need to share the data.

This data paper introduces MajinBook, an open catalogue designed to facilitate the use of shadow libraries--such as Library Genesis and Z-Library--for computational social science and cultural analytics. By linking metadata from these vast, crowd-sourced archives with structured bibliographic data from Goodreads, we create a high-precision corpus of over 539,000 references to English-language books spanning three centuries, enriched with first publication dates, genres, and popularity metrics like ratings and reviews. Our methodology prioritizes natively digital EPUB files to ensure machine-readable quality, while addressing biases in traditional corpora like HathiTrust, and includes secondary datasets for French, German, and Spanish. We evaluate the linkage strategy for accuracy, release all underlying data openly, and discuss the project's legal permissibility under EU and US frameworks for text and data mining in research.

Recently, there has been a significant upsurge of interest in leveraging large language models (LLMs) to assist scientific discovery. However, most LLMs only focus on general science, while they lack domain-specific knowledge, such as chemical molecules and amino acid sequences. To bridge these gaps, we introduce SciDFM, a mixture-of-experts LLM, which is trained from scratch and is able to conduct college-level scientific reasoning and understand molecules and amino acid sequences. We collect a large-scale training corpus containing numerous scientific papers and books from different disciplines as well as data from domain-specific databases. We further fine-tune the pre-trained model on lots of instruction data to improve performances on downstream benchmarks. From experiment results, we show that SciDFM achieves strong performance on general scientific benchmarks such as SciEval and SciQ, and it reaches a SOTA performance on domain-specific benchmarks among models of similar size. We further analyze the expert layers and show that the results of expert selection vary with data from different disciplines. To benefit the broader research community, we open-source SciDFM at https://huggingface.co/OpenDFM/SciDFM-MoE-A5.6B-v1.0.

Applications of Generative AI (Gen AI) are expected to revolutionize a number of different areas, ranging from science & medicine to education. The potential for these seismic changes has triggered a lively debate about the potential risks of the technology, and resulted in calls for tighter regulation, in particular from some of the major tech companies who are leading in AI development. This regulation is likely to put at risk the budding field of open-source generative AI. Using a three-stage framework for Gen AI development (near, mid and long-term), we analyze the risks and opportunities of open-source generative AI models with similar capabilities to the ones currently available (near to mid-term) and with greater capabilities (long-term). We argue that, overall, the benefits of open-source Gen AI outweigh its risks. As such, we encourage the open sourcing of models, training and evaluation data, and provide a set of recommendations and best practices for managing risks associated with open-source generative AI.

Recent advances in the area of legal information systems have led to a variety of applications that promise support in processing and accessing legal documents. Unfortunately, these applications have various limitations, e.g., regarding scope or extensibility. Furthermore, we do not observe a trend towards open access in digital libraries in the legal domain as we observe in other domains, e.g., economics of computer science. To improve open access in the legal domain, we present our approach for an open source platform to transparently process and access Legal Open Data. This enables the sustainable development of legal applications by offering a single technology stack. Moreover, the approach facilitates the development and deployment of new technologies. As proof of concept, we implemented six technologies and generated metadata for more than 250,000 German laws and court decisions. Thus, we can provide users of our platform not only access to legal documents, but also the contained information.