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Oct 12

FrontierChallenge: Evaluating Scientific Workflow Completion

Scientific agents increasingly analyze data, execute code, and produce research artifacts, yet most benchmarks emphasize final answers, isolated programs, or a single domain. We introduce FrontierChallenge, a cross-domain benchmark comprising 300 end-to-end scientific workflows. In this paper, we release and evaluate 97 of these tasks, spanning quantum chemistry, molecular dynamics, materials characterization, analytical chemistry, life science, and electrochemistry/environment. Each task provides fixed inputs and specifies a bundle of required scientific deliverables. We evaluate twelve frontier models with three agent scaffolds. Pass Rate measures the fraction of tasks satisfying the full-completion criterion, while Avg. Score captures partial progress. Each of the best-performing configurations completed only 20 of the 97 released tasks, yielding a Pass Rate of 20.6%. Partial progress translated especially poorly into complete delivery in analytical chemistry and electrochemistry/environment: Avg. Scores reached 87.6 and 94.9, but the highest Pass Rates were only 4% and 0%. Among non-passing Claude Code trajectories, 75.5% still ended with language claiming completion. These findings show that neither high partial scores nor confident claims of completion reliably indicate that a scientific task has been fully delivered, highlighting the need to evaluate end-to-end workflow execution and the completeness of scientific deliverables together.

apodex Apodex
·
Aug 24 2

Can Large Language Models Replace Data Scientists in Clinical Research?

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

  • 5 authors
·
Oct 28, 2024

DS-STAR: Data Science Agent via Iterative Planning and Verification

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.

  • 4 authors
·
Sep 25, 2025

What Should Data Science Education Do with Large Language Models?

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.

  • 4 authors
·
Jul 6, 2023

KramaBench: A Benchmark for AI Systems on Data-to-Insight Pipelines over Data Lakes

Constructing real-world data-to-insight pipelines often involves data extraction from data lakes, data integration across heterogeneous data sources, and diverse operations from data cleaning to analysis. The design and implementation of data science pipelines require domain knowledge, technical expertise, and even project-specific insights. AI systems have shown remarkable reasoning, coding, and understanding capabilities. However, it remains unclear to what extent these capabilities translate into successful design and execution of such complex pipelines. We introduce KRAMABENCH: a benchmark composed of 104 manually-curated real-world data science pipelines spanning 1700 data files from 24 data sources in 6 different domains. We show that these pipelines test the end-to-end capabilities of AI systems on data processing, requiring data discovery, wrangling and cleaning, efficient processing, statistical reasoning, and orchestrating data processing steps given a high-level task. Our evaluation tests 5 general models and 3 code generation models using our reference framework, DS-GURU, which instructs the AI model to decompose a question into a sequence of subtasks, reason through each step, and synthesize Python code that implements the proposed design. Our results on KRAMABENCH show that, although the models are sufficiently capable of solving well-specified data science code generation tasks, when extensive data processing and domain knowledge are required to construct real-world data science pipelines, existing out-of-box models fall short. Progress on KramaBench represents crucial steps towards developing autonomous data science agents for real-world applications. Our code, reference framework, and data are available at https://github.com/mitdbg/KramaBench.

  • 19 authors
·
Jun 6, 2025

Improving Data and Reward Design for Scientific Reasoning in Large Language Models

Solving open-ended science questions remains challenging for large language models, particularly due to inherently unreliable supervision and evaluation. The bottleneck lies in the data construction and reward design for scientific post-training. We develop a large-scale, systematic data processing pipeline that transforms heterogeneous open-source science data into Dr. SCI dataset, which comprises of 1M questions across eight STEM subjects, with explicit verifiable/open-ended splits, scalable difficulty annotation, and fine-grained rubrics that operationalize evaluation for open-ended answers. Building on this dataset, we propose the Dr. SCI post-training pipeline, which redesigns the standard SFT -> RL workflow through three components: (i) Exploration-Expanding SFT, which broadens the model's reasoning pattern coverage prior to RL; (ii) Dynamic Difficulty Curriculum, which adapts training data to the model's evolving scientific capability; and (iii) SciRubric-Guided RL, which enables stable reinforcement learning on open-ended scientific questions via rubric-based evaluation with explicit answer correctness. Qwen3-4B-Base trained using Dr. SCI pipeline achieves 63.2 on GPQA-diamond and 32.4 on GPQA-general, consistently improves over strong post-trained baselines such as o1-mini and GPT-4o, demonstrating substantial gains in scientific reasoning, especially in open-ended settings.

microsoft Microsoft
·
Feb 9 2

Coding-agents can replicate scientific machine learning papers

Scientific machine learning papers typically make computational claims, e.g., that the relative mean square error is less than 5% or that the 95% predictive credible interval covers the test data. A coding agent can be prompted to replicate those claims from paper materials alone, but the prompt does not by itself reliably preserve progress or check whether generated evidence supports the paper's claims. We introduce Paper-replication, a workflow that makes each selected paper claim a target with recorded evidence, and implement it as a coding-agent skill. The workflow makes the agent record those targets, reconstruct the paper's method, run computational experiments, link generated outputs to provenance and comparisons with the paper's claims, record where matched evidence appears in the replication report, and pass validation checks before completion. We evaluate Paper-replication on twelve independent runs across four scientific machine learning papers. All twelve workspaces pass the completion gate, and all 158 recorded targets are matched with report coverage. Even in this completed workspace state, repeated runs differ in how papers are divided into targets, in numerical fidelity to the source papers, in elapsed replication time, in the number of intermediate executions replaced before final evidence is accepted, and in the rules used to accept evidence. Paper-replication makes completion depend on workspace evidence and validation checks rather than on the agent's final message.

  • 2 authors
·
Jul 9 2

AgenticDataBench: A Comprehensive Benchmark for Data Agents

Data science aims to derive actionable insights from heterogeneous raw data, unlocking the value of the massive amounts of data generated in modern society. Automating this process is essential to reducing labor-intensive efforts for data scientists and enabling scalable data-driven applications. Recently, large language model (LLM)-based data agents have emerged as a promising solution to automate data science workflows. However, the field lacks comprehensive benchmarks to rigorously evaluate these agents across diverse scenarios with fine-grained granularity. To address this gap, we propose AgenticDataBench, a comprehensive benchmark featuring realistic tasks spanning diverse domains with fine-grained ground-truth labels. This enables evaluations to capture the diversity and complexity of data science workflows and the detailed performance of agents. First, to cover diverse domains, we collect real datasets and tasks from 15 vertical domains, including 5 real-world B2B use cases from a leading fintech company. Second, to remove redundancy in real-world tasks and generate high-quality tasks for domains lacking real data, we introduce data science skills, recurring data-centric operational patterns, and quantify benchmark coverage by the number of skills included. Representative skills are extracted from large-scale task solutions on Stack Overflow using skill-aligned hierarchical clustering. Third, for real-world business tasks, we select task-solution pairs that maximize diversity in skill composition, ensuring broad coverage of practical scenarios. Fourth, to generate realistic tasks for devise domains without real tasks, we propose a systematic LLM-based task generation approach to create workflows and tasks based on these skills. Finally, we evaluate state-of-the-art data agents using our annotated benchmark and open-sourced testbed, providing detailed skill-level insights.

RSIBench-Data: Benchmarking Data-Centric Research for Recursive Self-Improvement

Recursive self-improvement requires turning evidence of model failures into better models. Data-centric post-training research entails diagnosing capability gaps, designing and validating training-data strategies, and learning from checkpoint feedback. Can LLM agents automate this loop? Existing benchmarks entangle research decisions with optimization, serving, evaluation, and systems implementation, obscuring agents' research capability. We introduce RSIBench-Data, a controlled benchmark of LLM agents as data-centric researchers with a fixed post-training stack. Agents iteratively revise training-data strategies for a fixed target model; training and serving use Tinker-backed services, official evaluation runs through Harbor and E2B sandboxes, and budgets are fixed across agents. We evaluate four frontier agents on six benchmarks across software engineering, terminal use, scientific question answering, and mathematics. Agents demonstrate core data-centric research capabilities: in 58.33\% of settings, they improve upon the first valid attempt by refining strategies from feedback. However, improvement is inconsistent. Among searches continuing after the best observed score, 78.26\% end with a lower-scoring final attempt, while the rest only recover the same peak. A strong candidate may therefore appear early or midway through a run even as later revisions fail. Trajectory analysis identifies four patterns in stronger runs: accurate hypotheses, validation-grounded supervision, behavior-aligned data, and preservation of strong checkpoints. These findings suggest that current agents can make useful data-centric discoveries but cannot yet translate feedback into consistent improvements. RSIBench-Data provides a measurable, auditable testbed for the research capabilities required for recursive self-improvement. We open-source our code at https://github.com/evolvent-ai/RSIBench-Data.

  • 7 authors
·
Jul 27

DSAgentBench: Can Agents Automate End-to-End Data-Science Workflows in Real Computer Environments?

Real-world data science involves long-horizon workflows that span data wrangling, exploration, modeling, visualization, and validation, and require coordinated use of tools such as notebooks, IDEs, terminals, browsers, and databases within real operating environments. Yet existing benchmarks lack real-computer interaction and do not evaluate whether agents can execute complete end-to-end data-science workflows in realistic computing environments, failing to capture the multi-stage, multi-tool nature of data-science practice. We introduce DSAgentBench, the first benchmark to evaluate whether agents can automate full data-science workflows inside real computer environments. DSAgentBench contains 275 diverse tasks covering the entire data-science life-cycle, reflecting the complexity and tool coordination required in practice. Each task requires grounding decisions in intermediate outputs and coordinated tool use, and includes a deterministic evaluator that verifies analytical correctness, visual outputs, and model performance rather than code-only execution. Our extensive experiments with 15 closed- and open-source models show that even the strongest agent, Claude-4.6-Sonnet, achieves only 56.70% task success, while all open-source agents remain below 1%, frequently failing at tool orchestration, OS grounding, and multi-step reasoning. These results reveal a substantial capability gap between current agentic systems and real data-science workflows, positioning DSAgentBench as a foundation for developing grounded, verifiable, autonomous data-science agents. We release DSAgentBench at https://github.com/vis-nlp/DSAgentBench.

  • 6 authors
·
Aug 10 1

daVinci-LLM:Towards the Science of Pretraining

The foundational pretraining phase determines a model's capability ceiling, as post-training struggles to overcome capability foundations established during pretraining, yet it remains critically under-explored. This stems from a structural paradox: organizations with computational resources operate under commercial pressures that inhibit transparent disclosure, while academic institutions possess research freedom but lack pretraining-scale computational resources. daVinci-LLM occupies this unexplored intersection, combining industrial-scale resources with full research freedom to advance the science of pretraining. We adopt a fully-open paradigm that treats openness as scientific methodology, releasing complete data processing pipelines, full training processes, and systematic exploration results. Recognizing that the field lacks systematic methodology for data processing, we employ the Data Darwinism framework, a principled L0-L9 taxonomy from filtering to synthesis. We train a 3B-parameter model from random initialization across 8T tokens using a two-stage adaptive curriculum that progressively shifts from foundational capabilities to reasoning-intensive enhancement. Through 200+ controlled ablations, we establish that: processing depth systematically enhances capabilities, establishing it as a critical dimension alongside volume scaling; different domains exhibit distinct saturation dynamics, necessitating adaptive strategies from proportion adjustments to format shifts; compositional balance enables targeted intensification while preventing performance collapse; how evaluation protocol choices shape our understanding of pretraining progress. By releasing the complete exploration process, we enable the community to build upon our findings and systematic methodologies to form accumulative scientific knowledge in pretraining.

SII-GAIR-NLP SII-GAIR
·
Mar 28 2

Accelerating Social Science Research via Agentic Hypothesization and Experimentation

Data-driven social science research is inherently slow, relying on iterative cycles of observation, hypothesis generation, and experimental validation. While recent data-driven methods promise to accelerate parts of this process, they largely fail to support end-to-end scientific discovery. To address this gap, we introduce EXPERIGEN, an agentic framework that operationalizes end-to-end discovery through a Bayesian optimization inspired two-phase search, in which a Generator proposes candidate hypotheses and an Experimenter evaluates them empirically. Across multiple domains, EXPERIGEN consistently discovers 2-4x more statistically significant hypotheses that are 7-17 percent more predictive than prior approaches, and naturally extends to complex data regimes including multimodal and relational datasets. Beyond statistical performance, hypotheses must be novel, empirically grounded, and actionable to drive real scientific progress. To evaluate these qualities, we conduct an expert review of machine-generated hypotheses, collecting feedback from senior faculty. Among 25 reviewed hypotheses, 88 percent were rated moderately or strongly novel, 70 percent were deemed impactful and worth pursuing, and most demonstrated rigor comparable to senior graduate-level research. Finally, recognizing that ultimate validation requires real-world evidence, we conduct the first A/B test of LLM-generated hypotheses, observing statistically significant results with p less than 1e-6 and a large effect size of 344 percent.

  • 8 authors
·
Feb 7

Improving FIM Code Completions via Context & Curriculum Based Learning

Fill-in-the-Middle (FIM) models play a vital role in code completion tasks, leveraging both prefix and suffix context to provide more accurate and contextually relevant suggestions. This paper presents approaches to improve FIM code completion while addressing the challenge of maintaining low latency for real-time coding assistance. We enhance FIM code completion by incorporating context and curriculum examples in the training process. We identify patterns where completion suggestions fail more frequently, revealing complexities that smaller language models struggle with. To address these challenges, we develop a curriculum dataset by extracting hard-to-complete patterns from code repositories and generate context examples using semantic and static analysis tools (e.g. TSC compiler). We fine-tune various sized models, including StarCoder and DeepSeek, on this enhanced dataset. Our evaluation encompasses three key dimensions: the Santa Coder FIM task, the Amazon CCEval benchmark, and a new Multi-Line Infilling evaluation benchmark derived from SWE-bench. Comprehensive ablation studies across multiple model sizes reveal that while all fine-tuned models show improvements, the performance gains are more pronounced for smaller parameter models and incorporating difficult-to-complete examples, as part of curriculum learning, improves the code completion performance. This finding is particularly significant given the latency constraints of code completion tasks. While larger models like GPT and Claude perform well in multi-line completions but are prohibitively challenging to use given high latency, and our fine-tuned models achieve a balance between performance and latency. Finally, we validate our approach through online A/B testing, demonstrating tangible improvements in Completion Acceptance Rate (CAR) and Completion Persistence Rate (CPR), with zero latency impact.

  • 3 authors
·
Dec 21, 2024

The Dataset Nutrition Label: A Framework To Drive Higher Data Quality Standards

Artificial intelligence (AI) systems built on incomplete or biased data will often exhibit problematic outcomes. Current methods of data analysis, particularly before model development, are costly and not standardized. The Dataset Nutrition Label (the Label) is a diagnostic framework that lowers the barrier to standardized data analysis by providing a distilled yet comprehensive overview of dataset "ingredients" before AI model development. Building a Label that can be applied across domains and data types requires that the framework itself be flexible and adaptable; as such, the Label is comprised of diverse qualitative and quantitative modules generated through multiple statistical and probabilistic modelling backends, but displayed in a standardized format. To demonstrate and advance this concept, we generated and published an open source prototype with seven sample modules on the ProPublica Dollars for Docs dataset. The benefits of the Label are manyfold. For data specialists, the Label will drive more robust data analysis practices, provide an efficient way to select the best dataset for their purposes, and increase the overall quality of AI models as a result of more robust training datasets and the ability to check for issues at the time of model development. For those building and publishing datasets, the Label creates an expectation of explanation, which will drive better data collection practices. We also explore the limitations of the Label, including the challenges of generalizing across diverse datasets, and the risk of using "ground truth" data as a comparison dataset. We discuss ways to move forward given the limitations identified. Lastly, we lay out future directions for the Dataset Nutrition Label project, including research and public policy agendas to further advance consideration of the concept.

  • 5 authors
·
May 9, 2018

Beyond Token Alignment: Event Completion for Cross-Tokenizer On-Policy Distillation

On-policy distillation (OPD) transfers knowledge between language models through teacher supervision on student-generated trajectories. With different tokenizers, a single teacher token may require multiple student tokens to generate, creating intermediate states where the event is entered but not yet completed. Existing cross-tokenizer methods align tokens or text spans to construct comparable prediction targets. We study a complementary problem after partial generation: once the student produces a prefix of a teacher token, multiple next tokens may complete the same remaining bytes, but the teacher only specifies the required completion rather than how probability should be divided among these valid continuations. We introduce Event-Set Completion Distillation (ESCD), which complements cross-tokenizer probability alignment with completion-set supervision. ESCD aggregates prefix-related teacher events and supervises the total probability of byte-compatible one-step student completions, avoiding tokenizer-dependent probability splits among individual tokens. The method reuses student trajectories and predictions, requiring neither additional rollouts nor changes to the student vocabulary. Experiments demonstrate consistent gains in mathematics, code, and scientific reasoning across model families and tokenizers, extending to large-scale MoE distillation from a 1T teacher to a 35B student. Local analyses show that retaining completion sets better matches the reference supervision, while one-step completion covers over 99% of observed compatible teacher mass after partial event entry in the studied tokenizer pairs. These findings support event entry and event completion as complementary supervision targets for cross-tokenizer knowledge transfer. Code will be released on GitHub.

  • 5 authors
·
Sep 27

SynthCoder: A Synthetical Strategy to Tune LLMs for Code Completion

Code completion is a prominent application of Large Language Models (LLMs) in software engineering. Due to the near real-time response requirements of this task, base models with small to medium-sized parameters are typically employed, supplemented by various optimization and post-training techniques. However, these optimization methods often have trade-offs, leading to a seesaw effect where performance improvements on certain datasets or metrics are accompanied by degradations on others -- sometimes even falling below the baseline model's performance. This paper proposes SynthCoder, a model that integrates leading industry practices to achieve state-of-the-art performance on the Fill-in-the-Middle (FIM) code completion task. In specific, we first construct a diverse dataset by combining Abstract Syntax Tree (AST) node extraction with heuristics that simulate developer behavior. Then we enrich our training corpus with cross-file contextual information using the BM25 algorithm and call graphs, enhancing the model's ability to perform code completion in both file-level and repository-level scenarios. As the last step, we employ a two-stage training process using the Seed-Coder-8B-Base as the base model. First, we fine-tune the model using Curriculum Learning technology. Following this, we perform alignment using Direct Preference Optimization (DPO) with preference pairs generated through Rejection Sampling. Experimental results demonstrate that our final model excels on mainstream repository-level code completion benchmarks, including aiXcoder, ExecRepoBench, CrossCodeEval, and CoLT. Furthermore, our carefully curated training set effectively mitigates the model's tendency to just repeat existing code, a common issue existing in various code completion models.

  • 9 authors
·
Aug 21, 2025

SciRIFF: A Resource to Enhance Language Model Instruction-Following over Scientific Literature

We present SciRIFF (Scientific Resource for Instruction-Following and Finetuning), a dataset of 137K instruction-following demonstrations for 54 tasks covering five essential scientific literature understanding capabilities: information extraction, summarization, question answering, claim verification, and classification. SciRIFF demonstrations are notable for their long input contexts, detailed task specifications, and complex structured outputs. While instruction-following resources are available in specific domains such as clinical medicine and chemistry, SciRIFF is the first dataset focused on extracting and synthesizing information from research literature across a wide range of scientific fields. To demonstrate the utility of SciRIFF, we develop a sample-efficient strategy to adapt a general instruction-following model for science by performing additional finetuning on a mix of general-domain and SciRIFF demonstrations. In evaluations on nine held-out scientific tasks, our model -- called SciTulu -- improves over a strong LLM baseline by 28.1% and 6.5% at the 7B and 70B scales respectively, while maintaining general instruction-following performance within 2% of the baseline. We are optimistic that SciRIFF will facilitate the development and evaluation of LLMs to help researchers navigate the ever-growing body of scientific literature. We release our dataset, model checkpoints, and data processing and evaluation code to enable further research.

  • 13 authors
·
Jun 10, 2024

SCP-116K: A High-Quality Problem-Solution Dataset and a Generalized Pipeline for Automated Extraction in the Higher Education Science Domain

Recent breakthroughs in large language models (LLMs) exemplified by the impressive mathematical and scientific reasoning capabilities of the o1 model have spotlighted the critical importance of high-quality training data in advancing LLM performance across STEM disciplines. While the mathematics community has benefited from a growing body of curated datasets, the scientific domain at the higher education level has long suffered from a scarcity of comparable resources. To address this gap, we present SCP-116K, a new large-scale dataset of 116,756 high-quality problem-solution pairs, automatically extracted from heterogeneous sources using a streamlined and highly generalizable pipeline. Our approach involves stringent filtering to ensure the scientific rigor and educational level of the extracted materials, while maintaining adaptability for future expansions or domain transfers. By openly releasing both the dataset and the extraction pipeline, we seek to foster research on scientific reasoning, enable comprehensive performance evaluations of new LLMs, and lower the barrier to replicating the successes of advanced models like o1 in the broader science community. We believe SCP-116K will serve as a critical resource, catalyzing progress in high-level scientific reasoning tasks and promoting further innovations in LLM development. The dataset and code are publicly available at https://github.com/AQA6666/SCP-116K-open.

  • 8 authors
·
Jan 26, 2025

Examining the Impact of Income Inequality and Gender on School Completion in Malaysia: A Machine Learning Approach Utilizing Malaysia's Public Sector Open Data

This study examines the relationship between income inequality, gender, and school completion rates in Malaysia using machine learning techniques. The dataset utilized is from the Malaysia's Public Sector Open Data Portal, covering the period 2016-2022. The analysis employs various machine learning techniques, including K-means clustering, ARIMA modeling, Random Forest regression, and Prophet for time series forecasting. These models are used to identify patterns, trends, and anomalies in the data, and to predict future school completion rates. Key findings reveal significant disparities in school completion rates across states, genders, and income levels. The analysis also identifies clusters of states with similar completion rates, suggesting potential regional factors influencing educational outcomes. Furthermore, time series forecasting models accurately predict future completion rates, highlighting the importance of ongoing monitoring and intervention strategies. The study concludes with recommendations for policymakers and educators to address the observed disparities and improve school completion rates in Malaysia. These recommendations include targeted interventions for specific states and demographic groups, investment in early childhood education, and addressing the impact of income inequality on educational opportunities. The findings of this study contribute to the understanding of the factors influencing school completion in Malaysia and provide valuable insights for policymakers and educators to develop effective strategies to improve educational outcomes.

  • 1 authors
·
Jan 30, 2025

Programming Puzzles

We introduce a new type of programming challenge called programming puzzles, as an objective and comprehensive evaluation of program synthesis, and release an open-source dataset of Python Programming Puzzles (P3). Each puzzle is defined by a short Python program f, and the goal is to find an input which makes f return True. The puzzles are objective in that each one is specified entirely by the source code of its verifier f, so evaluating f is all that is needed to test a candidate solution. They do not require an answer key or input/output examples, nor do they depend on natural language understanding. The dataset is comprehensive in that it spans problems of a range of difficulties and domains, ranging from trivial string manipulation problems, to classic programming puzzles (e.g., Tower of Hanoi), to interview/competitive-programming problems (e.g., dynamic programming), to longstanding open problems in algorithms and mathematics (e.g., factoring). We develop baseline enumerative program synthesis, GPT-3 and Codex solvers that are capable of solving puzzles -- even without access to any reference solutions -- by learning from their own past solutions. Codex performs best, solving up to 18% of 397 test problems with a single try and 80% of the problems with 1,000 tries per problem. In a small user study, we find a positive correlation between puzzle-solving performance and coding experience, and between the puzzle difficulty for humans and AI solvers. Therefore, further improvements on P3 could have a significant impact on many program synthesis areas.

  • 4 authors
·
Jun 10, 2021

A Prescriptive Learning Analytics Framework: Beyond Predictive Modelling and onto Explainable AI with Prescriptive Analytics and ChatGPT

A significant body of recent research in the field of Learning Analytics has focused on leveraging machine learning approaches for predicting at-risk students in order to initiate timely interventions and thereby elevate retention and completion rates. The overarching feature of the majority of these research studies has been on the science of prediction only. The component of predictive analytics concerned with interpreting the internals of the models and explaining their predictions for individual cases to stakeholders has largely been neglected. Additionally, works that attempt to employ data-driven prescriptive analytics to automatically generate evidence-based remedial advice for at-risk learners are in their infancy. eXplainable AI is a field that has recently emerged providing cutting-edge tools which support transparent predictive analytics and techniques for generating tailored advice for at-risk students. This study proposes a novel framework that unifies both transparent machine learning as well as techniques for enabling prescriptive analytics, while integrating the latest advances in large language models. This work practically demonstrates the proposed framework using predictive models for identifying at-risk learners of programme non-completion. The study then further demonstrates how predictive modelling can be augmented with prescriptive analytics on two case studies in order to generate human-readable prescriptive feedback for those who are at risk using ChatGPT.

  • 1 authors
·
Aug 30, 2022

Language Models for Code Completion: A Practical Evaluation

Transformer-based language models for automatic code completion have shown great promise so far, yet the evaluation of these models rarely uses real data. This study provides both quantitative and qualitative assessments of three public code language models when completing real-world code. We first developed an open-source IDE extension, Code4Me, for the online evaluation of the models. We collected real auto-completion usage data for over a year from more than 1200 users, resulting in over 600K valid completions. These models were then evaluated using six standard metrics across twelve programming languages. Next, we conducted a qualitative study of 1690 real-world completion requests to identify the reasons behind the poor model performance. A comparative analysis of the models' performance in online and offline settings was also performed, using benchmark synthetic datasets and two masking strategies. Our findings suggest that while developers utilize code completion across various languages, the best results are achieved for mainstream languages such as Python and Java. InCoder outperformed the other models across all programming languages, highlighting the significance of training data and objectives. Our study also revealed that offline evaluations do not accurately reflect real-world scenarios. Upon qualitative analysis of the model's predictions, we found that 66.3% of failures were due to the models' limitations, 24.4% occurred due to inappropriate model usage in a development context, and 9.3% were valid requests that developers overwrote. Given these findings, we propose several strategies to overcome the current limitations. These include refining training objectives, improving resilience to typographical errors, adopting hybrid approaches, and enhancing implementations and usability.

  • 6 authors
·
Feb 25, 2024

IRCoCo: Immediate Rewards-Guided Deep Reinforcement Learning for Code Completion

Code completion aims to enhance programming productivity by predicting potential code based on the current programming context. Recently, pretrained language models (LMs) have become prominent in this field. Various approaches have been proposed to fine-tune LMs using supervised fine-tuning (SFT) techniques for code completion. However, the inherent exposure bias of these models can cause errors to accumulate early in the sequence completion, leading to even more errors in subsequent completions. To address this problem, deep reinforcement learning (DRL) is an alternative technique for fine-tuning LMs for code completion, which can improve the generalization capabilities and overall performance. Nevertheless, integrating DRL-based strategies into code completion faces two major challenges: 1) The dynamic nature of the code context requires the completion model to quickly adapt to changes, which poses difficulties for conventional DRL strategies that focus on delayed rewarding of the final code state. 2) It is difficult to evaluate the correctness of partial code, thus the reward redistribution-based strategies cannot be adapted to code completion. To tackle these challenges, we propose IRCoCo, a code completion-specific DRL-based fine-tuning framework. This framework is designed to provide immediate rewards as feedback for detecting dynamic context changes arising from continuous edits during code completion. With the aid of immediate feedback, the fine-tuned LM can gain a more precise understanding of the current context, thereby enabling effective adjustment of the LM and optimizing code completion in a more refined manner. Experimental results demonstrate that fine-tuning pretrained LMs with IRCoCo leads to significant improvements in the code completion task, outperforming both SFT-based and other DRL-based baselines.

  • 8 authors
·
Jan 29, 2024

DeepAnalyze: Agentic Large Language Models for Autonomous Data Science

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.

RUC-DataLab RUC-DataLab
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Oct 19, 2025 4

From Words to Code: Harnessing Data for Program Synthesis from Natural Language

Creating programs to correctly manipulate data is a difficult task, as the underlying programming languages and APIs can be challenging to learn for many users who are not skilled programmers. Large language models (LLMs) demonstrate remarkable potential for generating code from natural language, but in the data manipulation domain, apart from the natural language (NL) description of the intended task, we also have the dataset on which the task is to be performed, or the "data context". Existing approaches have utilized data context in a limited way by simply adding relevant information from the input data into the prompts sent to the LLM. In this work, we utilize the available input data to execute the candidate programs generated by the LLMs and gather their outputs. We introduce semantic reranking, a technique to rerank the programs generated by LLMs based on three signals coming the program outputs: (a) semantic filtering and well-formedness based score tuning: do programs even generate well-formed outputs, (b) semantic interleaving: how do the outputs from different candidates compare to each other, and (c) output-based score tuning: how do the outputs compare to outputs predicted for the same task. We provide theoretical justification for semantic interleaving. We also introduce temperature mixing, where we combine samples generated by LLMs using both high and low temperatures. We extensively evaluate our approach in three domains, namely databases (SQL), data science (Pandas) and business intelligence (Excel's Power Query M) on a variety of new and existing benchmarks. We observe substantial gains across domains, with improvements of up to 45% in top-1 accuracy and 34% in top-3 accuracy.

  • 12 authors
·
May 2, 2023

Deep Learning-based Code Completion: On the Impact on Performance of Contextual Information

Code completion aims at speeding up code writing by recommending to developers the next tokens they are likely to type. Deep Learning (DL) models pushed the boundaries of code completion by redefining what these coding assistants can do: We moved from predicting few code tokens to automatically generating entire functions. One important factor impacting the performance of DL-based code completion techniques is the context provided as input. With "context" we refer to what the model knows about the code to complete. In a simple scenario, the DL model might be fed with a partially implemented function to complete. In this case, the context is represented by the incomplete function and, based on it, the model must generate a prediction. It is however possible to expand such a context to include additional information, like the whole source code file containing the function to complete, which could be useful to boost the prediction performance. In this work, we present an empirical study investigating how the performance of a DL-based code completion technique is affected by different contexts. We experiment with 8 types of contexts and their combinations. These contexts include: (i) coding contexts, featuring information extracted from the code base in which the code completion is invoked (e.g., code components structurally related to the one to "complete"); (ii) process context, with information aimed at depicting the current status of the project in which a code completion task is triggered (e.g., a textual representation of open issues relevant for the code to complete); and (iii) developer contexts, capturing information about the developer invoking the code completion (e.g., the APIs frequently used). Our results show that additional contextual information can benefit the performance of DL-based code completion, with relative improvements up to +22% in terms of correct predictions.

  • 3 authors
·
Jan 9, 2025

Kosmos: An AI Scientist for Autonomous Discovery

Data-driven scientific discovery requires iterative cycles of literature search, hypothesis generation, and data analysis. Substantial progress has been made towards AI agents that can automate scientific research, but all such agents remain limited in the number of actions they can take before losing coherence, thus limiting the depth of their findings. Here we present Kosmos, an AI scientist that automates data-driven discovery. Given an open-ended objective and a dataset, Kosmos runs for up to 12 hours performing cycles of parallel data analysis, literature search, and hypothesis generation before synthesizing discoveries into scientific reports. Unlike prior systems, Kosmos uses a structured world model to share information between a data analysis agent and a literature search agent. The world model enables Kosmos to coherently pursue the specified objective over 200 agent rollouts, collectively executing an average of 42,000 lines of code and reading 1,500 papers per run. Kosmos cites all statements in its reports with code or primary literature, ensuring its reasoning is traceable. Independent scientists found 79.4% of statements in Kosmos reports to be accurate, and collaborators reported that a single 20-cycle Kosmos run performed the equivalent of 6 months of their own research time on average. Furthermore, collaborators reported that the number of valuable scientific findings generated scales linearly with Kosmos cycles (tested up to 20 cycles). We highlight seven discoveries made by Kosmos that span metabolomics, materials science, neuroscience, and statistical genetics. Three discoveries independently reproduce findings from preprinted or unpublished manuscripts that were not accessed by Kosmos at runtime, while four make novel contributions to the scientific literature.

  • 37 authors
·
Nov 4, 2025

Do LLM-Generated Skills Make Better AI Data Scientists? A Component Ablation Across Data-Science Workflows

Product data scientists often ask LLM-based agents to help with recurring execution tasks such as cleaning data, writing SQL, choosing statistical tests, and formatting results. Reusable skill files are meant to avoid prompting from scratch by packaging guidance for a task family. Expert-written skills can encode high-quality guidance, but writing and maintaining them across many data-science task families creates a manual bottleneck. We ask whether LLM-generated skills offer a useful low-curation alternative: do they improve performance over the task prompt alone? We test this question across four lifecycle stages: data preparation, data extraction, statistical analysis, and reporting, using one generated skill per stage. We find no reliable improvement from full generated skills over No-Skill prompting. We then ask whether any part of the skill is useful by ablating different skill components. The main ablation covers 56 tasks, nine model configurations, and three providers, yielding 7,560 runs. Compared with prompting using the task alone, neither the full generated skill nor any ablated skill variant significantly improves performance; all p-values are at least 0.396, and the total spread across variants is only 1.2 pp. A supplemental token-matched control adds 1,512 runs and finds that Full skills perform similarly to task-irrelevant skill-formatted content. The results caution against using one LLM-generated skill per data-science workflow as a default single-shot prompting strategy.

  • 1 authors
·
Jul 7

Contextual API Completion for Unseen Repositories Using LLMs

Large language models have made substantial progress in addressing diverse code-related tasks. However, their adoption is hindered by inconsistencies in generating output due to the lack of real-world, domain-specific information, such as for intra-repository API calls for unseen software projects. We introduce a novel technique to mitigate hallucinations by leveraging global and local contextual information within a code repository for API completion tasks. Our approach is tailored to refine code completion tasks, with a focus on optimizing local API completions. We examine relevant import statements during API completion to derive insights into local APIs, drawing from their method signatures. For API token completion, we analyze the inline variables and correlate them with the appropriate imported modules, thereby allowing our approach to rank the most contextually relevant suggestions from the available local APIs. Further, for conversational API completion, we gather APIs that are most relevant to the developer query with a retrieval-based search across the project. We employ our tool, LANCE, within the framework of our proposed benchmark, APIEval, encompassing two different programming languages. Our evaluation yields an average accuracy of 82.6% for API token completion and 76.9% for conversational API completion tasks. On average, LANCE surpasses Copilot by 143% and 142% for API token completion and conversational API completion, respectively. The implications of our findings are substantial for developers, suggesting that our lightweight context analysis can be applied to multilingual environments without language-specific training or fine-tuning, allowing for efficient implementation with minimal examples and effort.

  • 4 authors
·
May 7, 2024

Soohak: A Mathematician-Curated Benchmark for Evaluating Research-level Math Capabilities of LLMs

Following the recent achievement of gold-medal performance on the IMO by frontier LLMs, the community is searching for the next meaningful and challenging target for measuring LLM reasoning. Whereas olympiad-style problems measure step-by-step reasoning alone, research-level problems use such reasoning to advance the frontier of mathematical knowledge itself, emerging as a compelling alternative. Yet research-level math benchmarks remain scarce because such problems are difficult to source (e.g., Riemann Bench and FrontierMath-Tier 4 contain 25 and 50 problems, respectively). To support reliable evaluation of next-generation frontier models, we introduce Soohak, a 439-problem benchmark newly authored from scratch by 64 mathematicians. Soohak comprises two subsets. On the Challenge subset, frontier models including Gemini-3-Pro, GPT-5, and Claude-Opus-4.5 reach 30.4%, 26.4%, and 10.4% respectively, leaving substantial headroom, while leading open-weight models such as Qwen3-235B, GPT-OSS-120B, and Kimi-2.5 remain below 15%. Notably, beyond standard problem solving, Soohak introduces a refusal subset that probes a capability intrinsic to research mathematics: recognizing ill-posed problems and pausing rather than producing confident but unjustified answers. On this subset, no model exceeds 50%, identifying refusal as a new optimization target that current models do not directly address. To prevent contamination, the dataset will be publicly released in late 2026, with model evaluations available upon request in the interim.

EleutherAI EleutherAI
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May 8 3

Codev-Bench: How Do LLMs Understand Developer-Centric Code Completion?

Code completion, a key downstream task in code generation, is one of the most frequent and impactful methods for enhancing developer productivity in software development. As intelligent completion tools evolve, we need a robust evaluation benchmark that enables meaningful comparisons between products and guides future advancements. However, existing benchmarks focus more on coarse-grained tasks without industrial analysis resembling general code generation rather than the real-world scenarios developers encounter. Moreover, these benchmarks often rely on costly and time-consuming human annotation, and the standalone test cases fail to leverage minimal tests for maximum repository-level understanding and code coverage. To address these limitations, we first analyze business data from an industrial code completion tool and redefine the evaluation criteria to better align with the developer's intent and desired completion behavior throughout the coding process. Based on these insights, we introduce Codev-Agent, an agent-based system that automates repository crawling, constructs execution environments, extracts dynamic calling chains from existing unit tests, and generates new test samples to avoid data leakage, ensuring fair and effective comparisons. Using Codev-Agent, we present the Code-Development Benchmark (Codev-Bench), a fine-grained, real-world, repository-level, and developer-centric evaluation framework. Codev-Bench assesses whether a code completion tool can capture a developer's immediate intent and suggest appropriate code across diverse contexts, providing a more realistic benchmark for code completion in modern software development.

  • 8 authors
·
Oct 2, 2024

CursorCore: Assist Programming through Aligning Anything

Large language models have been successfully applied to programming assistance tasks, such as code completion, code insertion, and instructional code editing. However, these applications remain insufficiently automated and struggle to effectively integrate various types of information during the programming process, including coding history, current code, and user instructions. In this work, we propose a new conversational framework that comprehensively integrates these information sources, collect data to train our models and evaluate their performance. Firstly, to thoroughly evaluate how well models align with different types of information and the quality of their outputs, we introduce a new benchmark, APEval (Assist Programming Eval), to comprehensively assess the performance of models in programming assistance tasks. Then, for data collection, we develop a data generation pipeline, Programming-Instruct, which synthesizes training data from diverse sources, such as GitHub and online judge platforms. This pipeline can automatically generate various types of messages throughout the programming process. Finally, using this pipeline, we generate 219K samples, fine-tune multiple models, and develop the CursorCore series. We show that CursorCore outperforms other models of comparable size. This framework unifies applications such as inline chat and automated editing, contributes to the advancement of coding assistants. Code, models and data are freely available at https://github.com/TechxGenus/CursorCore.

  • 5 authors
·
Oct 9, 2024 2

Evaluating and Achieving Controllable Code Completion in Code LLM

Code completion has become a central task, gaining significant attention with the rise of large language model (LLM)-based tools in software engineering. Although recent advances have greatly improved LLMs' code completion abilities, evaluation methods have not advanced equally. Most current benchmarks focus solely on functional correctness of code completions based on given context, overlooking models' ability to follow user instructions during completion-a common scenario in LLM-assisted programming. To address this limitation, we present the first instruction-guided code completion benchmark, Controllable Code Completion Benchmark (C3-Bench), comprising 2,195 carefully designed completion tasks. Through comprehensive evaluation of over 40 mainstream LLMs across C3-Bench and conventional benchmarks, we reveal substantial gaps in instruction-following capabilities between open-source and advanced proprietary models during code completion tasks. Moreover, we develop a straightforward data synthesis pipeline that leverages Qwen2.5-Coder to generate high-quality instruction-completion pairs for supervised fine-tuning (SFT). The resulting model, Qwen2.5-Coder-C3, achieves state-of-the-art performance on C3-Bench. Our findings provide valuable insights for enhancing LLMs' code completion and instruction-following capabilities, establishing new directions for future research in code LLMs. To facilitate reproducibility and foster further research in code LLMs, we open-source all code, datasets, and models.

  • 10 authors
·
Jan 22

OmniScientist: An Omni-Modal Omni-Discipline AI Scientist

Recent advances in foundation models have enabled AI scientists to automate increasingly complete research workflows, from hypothesis generation and code execution to manuscript preparation. Yet workflow coverage alone does not provide access to the full evidence on which scientific discovery depends. Existing systems typically reason over text, code, labels, or precomputed summaries, leaving scientifically decisive spatial, temporal, cross-channel, and procedural relations unavailable to the agent. We introduce OmniScientist, an end-to-end, omni-modal AI scientist that conducts multidisciplinary research directly from heterogeneous raw evidence. A perception layer and 3 autonomous agents for ideation, experiment, and writeup operate within a deterministic pipeline, allowing observations to shape research questions, experimental decisions, and final claims throughout the research lifecycle. By running idea, rigour, and claim checks in code, the system enforces novelty screening, statistical validity, execution provenance, and numerical traceability. We evaluate OmniScientist on 36 real-data cases spanning 5 discipline families, 4 families of scientific evidence, and modalities including images, signals, audio, video, 3-D structures, trajectories, tables, formulae, and graphs. The system completes the full path from raw data to a compiled manuscript in all 36 cases and achieves a mean overall paper score of 6.3 with the reference reasoning backbone. In paired comparisons against a blind variant that receives only precomputed scalar features, direct perception improves all 7 evaluation dimensions and wins 85% of head-to-head judgments. These results show that lifecycle-wide perception is essential for evidence-grounded scientific discovery and provides a practical path toward broadly capable AI scientists.

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

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

  • 3 authors
·
Jan 24, 2024

AutoResearch AI: Towards AI-Powered Research Automation for Scientific Discovery

Scientific research is being reshaped by AI systems that move beyond isolated assistance toward longer-horizon workflows spanning literature grounding, hypothesis generation, experimentation, validation, reporting, and revision. This shift marks a transition from task-level AI for science to workflow-level research automation. Yet current systems remain fragmented, differing in autonomy, domain scope, execution environment, validation mechanism, and human oversight, while still struggling with evidence preservation, reproducibility, weak-direction rejection, provenance tracking, cross-domain robustness, and accountable scientific closure. This survey examines these developments through AutoResearch, defined as the developmental spectrum of AI-powered scientific workflow automation. Within it, Vibe Research denotes the human-steered region of prompt-based assistance and human-verified execution, whereas emerging AI-led systems coordinate larger portions of the discovery loop without achieving robust autonomy. We analyze how research systems redistribute control, evidence, execution, validation, and accountability across workflows and organize the field around five workflow conditions: literature and research grounding; hypothesis formation and planning; experimentation and tool use; feedback, validation, and review; and reporting and knowledge communication. We further synthesize AI scientist systems, mixed-initiative co-research frameworks, benchmarks, domain deployments, and open-source infrastructures. Finally, we propose five evaluation dimensions--novelty, validity, impact, reliability, and provenance--and show that AutoResearch autonomy is domain-conditioned, being more credible in structured, executable, and rapidly verifiable settings but limited in embodied, delayed, heterogeneous, ethical, or institutionally accountable contexts.

  • 23 authors
·
May 21 4

SciPaths: Forecasting Pathways to Scientific Discovery

Scientific progress depends on sequences of enabling contributions, yet existing AI4Science benchmarks largely focus on citation prediction, literature retrieval, or idea generation rather than the dependencies that make progress possible. In this paper, we introduce discovery pathway forecasting: given a target scientific contribution and the prior literature available at a specified time, the task is to (1) identify the enabling contributions required to realize it and (2) ground each in prior work when such prior work exists. We present SciPaths, a benchmark of 262 expert-annotated gold pathways and 2,444 silver pathways constructed from machine learning and natural language processing papers, where each pathway records enabling contributions, roles, rationales, and prior-work groundings or unmapped decisions. Evaluating frontier and open-weight language models, we find that the best model reaches only 0.189 F1 under strict semantic matching, with core methodological dependencies hardest to recover. Prior-work grounding improves substantially when gold enabling contributions are provided, showing that decomposition quality is a major bottleneck for end-to-end pathway recovery. SciPaths therefore shifts evaluation toward a missing capability in scientific forecasting: reasoning backward from a target contribution to the enabling scientific building blocks and prior-work dependencies that make it feasible.

  • 7 authors
·
May 13

SustainBench: Benchmarks for Monitoring the Sustainable Development Goals with Machine Learning

Progress toward the United Nations Sustainable Development Goals (SDGs) has been hindered by a lack of data on key environmental and socioeconomic indicators, which historically have come from ground surveys with sparse temporal and spatial coverage. Recent advances in machine learning have made it possible to utilize abundant, frequently-updated, and globally available data, such as from satellites or social media, to provide insights into progress toward SDGs. Despite promising early results, approaches to using such data for SDG measurement thus far have largely evaluated on different datasets or used inconsistent evaluation metrics, making it hard to understand whether performance is improving and where additional research would be most fruitful. Furthermore, processing satellite and ground survey data requires domain knowledge that many in the machine learning community lack. In this paper, we introduce SustainBench, a collection of 15 benchmark tasks across 7 SDGs, including tasks related to economic development, agriculture, health, education, water and sanitation, climate action, and life on land. Datasets for 11 of the 15 tasks are released publicly for the first time. Our goals for SustainBench are to (1) lower the barriers to entry for the machine learning community to contribute to measuring and achieving the SDGs; (2) provide standard benchmarks for evaluating machine learning models on tasks across a variety of SDGs; and (3) encourage the development of novel machine learning methods where improved model performance facilitates progress towards the SDGs.

  • 10 authors
·
Nov 8, 2021

BLADE: Benchmarking Language Model Agents for Data-Driven Science

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.

  • 16 authors
·
Aug 18, 2024

Forecasting Scientific Progress with Artificial Intelligence

Artificial intelligence (AI) is increasingly embedded in scientific discovery, yet whether it can anticipate scientific progress remains unclear. To study this question, we introduce a temporally grounded evaluation framework for forecasting scientific progress under controlled knowledge constraints. We present CUSP (Cutoff-conditioned Unseen Scientific Progress), a multi-disciplinary and event-level benchmark that evaluates scientific forecasting in AI systems through feasibility assessment, mechanistic reasoning, generative solution design, and temporal prediction. Across 4,760 scientific events, we observe systematic and domain-dependent limitations in current frontier models. While models can identify plausible research directions from competing candidates, they fail to reliably predict whether scientific advances will be realized and systematically misestimate when they will occur. Performance is highly heterogeneous across domains, with the timing of AI progress more predictable than advances in biology, chemistry, and physics. Performance is largely insensitive to whether events occur before or after the training cutoff, suggesting these limitations cannot be explained solely by knowledge exposure in training data. Under controlled information access, additional pre-cutoff knowledge improves performance but does not close the gap to full-information settings, which becomes more pronounced for high-citation advances. Models also exhibit systematic overconfidence and strong response biases, indicating unreliable uncertainty estimation. Taken together, current AI systems fall short as predictive tools for scientific progress. Access to prior knowledge does not translate into reliable forecasting, and performance benefits more from post-event information than from forward-looking prediction.

Machine learning-driven Anomaly Detection and Forecasting for Euclid Space Telescope Operations

State-of-the-art space science missions increasingly rely on automation due to spacecraft complexity and the costs of human oversight. The high volume of data, including scientific and telemetry data, makes manual inspection challenging. Machine learning offers significant potential to meet these demands. The Euclid space telescope, in its survey phase since February 2024, exemplifies this shift. Euclid's success depends on accurate monitoring and interpretation of housekeeping telemetry and science-derived data. Thousands of telemetry parameters, monitored as time series, may or may not impact the quality of scientific data. These parameters have complex interdependencies, often due to physical relationships (e.g., proximity of temperature sensors). Optimising science operations requires careful anomaly detection and identification of hidden parameter states. Moreover, understanding the interactions between known anomalies and physical quantities is crucial yet complex, as related parameters may display anomalies with varied timing and intensity. We address these challenges by analysing temperature anomalies in Euclid's telemetry from February to August 2024, focusing on eleven temperature parameters and 35 covariates. We use a predictive XGBoost model to forecast temperatures based on historical values, detecting anomalies as deviations from predictions. A second XGBoost model predicts anomalies from covariates, capturing their relationships to temperature anomalies. We identify the top three anomalies per parameter and analyse their interactions with covariates using SHAP (Shapley Additive Explanations), enabling rapid, automated analysis of complex parameter relationships. Our method demonstrates how machine learning can enhance telemetry monitoring, offering scalable solutions for other missions with similar data challenges.

  • 6 authors
·
Nov 8, 2024

On Responsible Machine Learning Datasets with Fairness, Privacy, and Regulatory Norms

Artificial Intelligence (AI) has made its way into various scientific fields, providing astonishing improvements over existing algorithms for a wide variety of tasks. In recent years, there have been severe concerns over the trustworthiness of AI technologies. The scientific community has focused on the development of trustworthy AI algorithms. However, machine and deep learning algorithms, popular in the AI community today, depend heavily on the data used during their development. These learning algorithms identify patterns in the data, learning the behavioral objective. Any flaws in the data have the potential to translate directly into algorithms. In this study, we discuss the importance of Responsible Machine Learning Datasets and propose a framework to evaluate the datasets through a responsible rubric. While existing work focuses on the post-hoc evaluation of algorithms for their trustworthiness, we provide a framework that considers the data component separately to understand its role in the algorithm. We discuss responsible datasets through the lens of fairness, privacy, and regulatory compliance and provide recommendations for constructing future datasets. After surveying over 100 datasets, we use 60 datasets for analysis and demonstrate that none of these datasets is immune to issues of fairness, privacy preservation, and regulatory compliance. We provide modifications to the ``datasheets for datasets" with important additions for improved dataset documentation. With governments around the world regularizing data protection laws, the method for the creation of datasets in the scientific community requires revision. We believe this study is timely and relevant in today's era of AI.

  • 7 authors
·
Oct 24, 2023

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

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

  • 8 authors
·
Jun 17, 2024

Open Catalyst Experiments 2024 (OCx24): Bridging Experiments and Computational Models

The search for low-cost, durable, and effective catalysts is essential for green hydrogen production and carbon dioxide upcycling to help in the mitigation of climate change. Discovery of new catalysts is currently limited by the gap between what AI-accelerated computational models predict and what experimental studies produce. To make progress, large and diverse experimental datasets are needed that are reproducible and tested at industrially-relevant conditions. We address these needs by utilizing a comprehensive high-throughput characterization and experimental pipeline to create the Open Catalyst Experiments 2024 (OCX24) dataset. The dataset contains 572 samples synthesized using both wet and dry methods with X-ray fluorescence and X-ray diffraction characterization. We prepared 441 gas diffusion electrodes, including replicates, and evaluated them using zero-gap electrolysis for carbon dioxide reduction (CO_2RR) and hydrogen evolution reactions (HER) at current densities up to 300 mA/cm^2. To find correlations with experimental outcomes and to perform computational screens, DFT-verified adsorption energies for six adsorbates were calculated on sim20,000 inorganic materials requiring 685 million AI-accelerated relaxations. Remarkably from this large set of materials, a data driven Sabatier volcano independently identified Pt as being a top candidate for HER without having any experimental measurements on Pt or Pt-alloy samples. We anticipate the availability of experimental data generated specifically for AI training, such as OCX24, will significantly improve the utility of computational models in selecting materials for experimental screening.

  • 20 authors
·
Nov 17, 2024

Datarus-R1: An Adaptive Multi-Step Reasoning LLM for Automated Data Analysis

We present Datarus-R1-14B, a 14 B-parameter open-weights language model fine-tuned from Qwen 2.5-14B-Instruct to act as a virtual data analyst and graduate-level problem solver. Datarus is trained not on isolated question-answer pairs but on full analytical trajectories including reasoning steps, code execution, error traces, self-corrections, and final conclusions, all captured in a ReAct-style notebook format spanning finance, medicine, numerical analysis, and other quantitative domains. Our training pipeline combines (i) a trajectory-centric synthetic data generator that yielded 144 000 tagged notebook episodes, (ii) a dual-reward framework blending a lightweight tag-based structural signal with a Hierarchical Reward Model (HRM) that scores both single-step soundness and end-to-end coherence, and (iii) a memory-optimized implementation of Group Relative Policy Optimization (GRPO) featuring KV-cache reuse, sequential generation, and reference-model sharding. A cosine curriculum smoothly shifts emphasis from structural fidelity to semantic depth, reducing the format collapse and verbosity that often plague RL-aligned LLMs. A central design choice in Datarus is it dual reasoning interface. In agentic mode the model produces ReAct-tagged steps that invoke Python tools to execute real code; in reflection mode it outputs compact Chain-of-Thought (CoT) traces delimited by <think> and <answer> tags. On demanding postgraduate-level problems, Datarus exhibits an "AHA-moment" pattern: it sketches hypotheses, revises them once or twice, and converges avoiding the circular, token-inflating loops common to contemporary systems. Across standard public benchmarks Datarus surpasses similar size models and even reaches the level of larger reasoning models such as QwQ-32B achieving up to 30% higher accuracy on AIME 2024/2025 and LiveCodeBench while emitting 18-49% fewer tokens per solution.

  • 2 authors
·
Aug 18, 2025

Scores Alone Do Not Prove Discovery: The Discovery Certification Protocol for Auditing AI Research Agents

AI research agents combine prior knowledge, public sources, and experimental feedback to produce useful results. The Discovery Certification Protocol (DCP) turns claims about these results into executable recovery and feedback tests. Gate 1 validates useful improvement on sealed evaluation. Gate 2 gives matched agents the registered starting information and observed Web content while withholding the target research history. Every valid method reaching the numerical target supplies a recovery witness and triggers the Core veto. DCP Core requires adequate controls, zero observed recoveries, and a finite-sample bound on recovery in one fresh registered episode. Optional Gate 3 measures the average effect of truthful feedback relative to a specified neutral policy from a shared checkpoint. DCP Evidence adds this effect after independent null calibration and a registered effect margin. Two controlled audits exercise the complete protocol in SQLite optimization and virtual catalyst control under different models. Each produced zero recoveries in 96 episodes, with an upper bound of 0.0468. Each paired study yielded 30 truthful recoveries and zero neutral recoveries, with passing 60-pair null studies. Additional cases exercise Core, recovered, and audit-incomplete decisions. A deterministic, LLM-free verifier reproduces the decisions from frozen evidence. DCP provides a common evidence language for useful outcomes, alternative routes, and feedback effects across AI research.

In the Picture: Medical Imaging Datasets, Artifacts, and their Living Review

Datasets play a critical role in medical imaging research, yet issues such as label quality, shortcuts, and metadata are often overlooked. This lack of attention may harm the generalizability of algorithms and, consequently, negatively impact patient outcomes. While existing medical imaging literature reviews mostly focus on machine learning (ML) methods, with only a few focusing on datasets for specific applications, these reviews remain static -- they are published once and not updated thereafter. This fails to account for emerging evidence, such as biases, shortcuts, and additional annotations that other researchers may contribute after the dataset is published. We refer to these newly discovered findings of datasets as research artifacts. To address this gap, we propose a living review that continuously tracks public datasets and their associated research artifacts across multiple medical imaging applications. Our approach includes a framework for the living review to monitor data documentation artifacts, and an SQL database to visualize the citation relationships between research artifact and dataset. Lastly, we discuss key considerations for creating medical imaging datasets, review best practices for data annotation, discuss the significance of shortcuts and demographic diversity, and emphasize the importance of managing datasets throughout their entire lifecycle. Our demo is publicly available at http://inthepicture.itu.dk/.

  • 29 authors
·
Jan 18, 2025

AgentDS Technical Report: Benchmarking the Future of Human-AI Collaboration in Domain-Specific Data Science

Data science plays a critical role in transforming complex data into actionable insights across numerous domains. Recent developments in large language models (LLMs) and artificial intelligence (AI) agents have significantly automated data science workflow. However, it remains unclear to what extent AI agents can match the performance of human experts on domain-specific data science tasks, and in which aspects human expertise continues to provide advantages. We introduce AgentDS, a benchmark and competition designed to evaluate both AI agents and human-AI collaboration performance in domain-specific data science. AgentDS consists of 17 challenges across six industries: commerce, food production, healthcare, insurance, manufacturing, and retail banking. We conducted an open competition involving 29 teams and 80 participants, enabling systematic comparison between human-AI collaborative approaches and AI-only baselines. Our results show that current AI agents struggle with domain-specific reasoning. AI-only baselines perform near or below the median of competition participants, while the strongest solutions arise from human-AI collaboration. These findings challenge the narrative of complete automation by AI and underscore the enduring importance of human expertise in data science, while illuminating directions for the next generation of AI. Visit the AgentDS website here: https://agentds.org/ and open source datasets here: https://huggingface.co/datasets/lainmn/AgentDS .

  • 15 authors
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Mar 19 2

The Apache Point Observatory Galactic Evolution Experiment (APOGEE)

The Apache Point Observatory Galactic Evolution Experiment (APOGEE), one of the programs in the Sloan Digital Sky Survey III (SDSS-III), has now completed its systematic, homogeneous spectroscopic survey sampling all major populations of the Milky Way. After a three year observing campaign on the Sloan 2.5-m Telescope, APOGEE has collected a half million high resolution (R~22,500), high S/N (>100), infrared (1.51-1.70 microns) spectra for 146,000 stars, with time series information via repeat visits to most of these stars. This paper describes the motivations for the survey and its overall design---hardware, field placement, target selection, operations---and gives an overview of these aspects as well as the data reduction, analysis and products. An index is also given to the complement of technical papers that describe various critical survey components in detail. Finally, we discuss the achieved survey performance and illustrate the variety of potential uses of the data products by way of a number of science demonstrations, which span from time series analysis of stellar spectral variations and radial velocity variations from stellar companions, to spatial maps of kinematics, metallicity and abundance patterns across the Galaxy and as a function of age, to new views of the interstellar medium, the chemistry of star clusters, and the discovery of rare stellar species. As part of SDSS-III Data Release 12, all of the APOGEE data products are now publicly available.

  • 78 authors
·
Sep 17, 2015

Training AI Co-Scientists Using Rubric Rewards

AI co-scientists are emerging as a tool to assist human researchers in achieving their research goals. A crucial feature of these AI co-scientists is the ability to generate a research plan given a set of aims and constraints. The plan may be used by researchers for brainstorming, or may even be implemented after further refinement. However, language models currently struggle to generate research plans that follow all constraints and implicit requirements. In this work, we study how to leverage the vast corpus of existing research papers to train language models that generate better research plans. We build a scalable, diverse training corpus by automatically extracting research goals and goal-specific grading rubrics from papers across several domains. We then train models for research plan generation via reinforcement learning with self-grading. A frozen copy of the initial policy acts as the grader during training, with the rubrics creating a generator-verifier gap that enables improvements without external human supervision. To validate this approach, we conduct a study with human experts for machine learning research goals, spanning 225 hours. The experts prefer plans generated by our finetuned Qwen3-30B-A3B model over the initial model for 70% of research goals, and approve 84% of the automatically extracted goal-specific grading rubrics. To assess generality, we also extend our approach to research goals from medical papers, and new arXiv preprints, evaluating with a jury of frontier models. Our finetuning yields 12-22% relative improvements and significant cross-domain generalization, proving effective even in problem settings like medical research where execution feedback is infeasible. Together, these findings demonstrate the potential of a scalable, automated training recipe as a step towards improving general AI co-scientists.

facebook AI at Meta
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Dec 29, 2025 3

Autonomous Scientific Discovery via Iterative Meta-Reflection

Autonomous scientific discovery systems offer the potential to accelerate research by automating the process of hypothesis generation and validation. However, current systems operate within constrained search spaces or require predefined research questions, limiting their capacity for true open-ended inquiry. Furthermore, while they generate hypotheses iteratively, they largely lack the ability to explicitly synthesize their own accumulated findings to uncover complex, interconnected phenomena. We introduce DiscoPER, an autonomous large language model-powered framework that conducts open-ended research by dynamically generating and executing code to explore datasets without pre-specified research objectives. To ensure rigorous scientific validity, every proposed discovery must pass statistical testing. To overcome the limitations of isolated search, our framework introduces a second-order reasoning mechanism that periodically analyzes its own accumulated discoveries. By treating prior discoveries as empirical data, DiscoPER identifies structural patterns, confounds, and epistemic gaps, actively redirecting hypothesis exploration toward uncharted regions of the search space. The search space is further expanded by incorporating tool use, enabling the system to explore hypotheses beyond structured metadata by seamlessly processing and extracting useful information from multimodal sources like images. Evaluated on iNatDisco, a new multimodal ecological knowledge benchmark with pattern-level ground truth obtained from peer-reviewed literature, DiscoPER recovers 8 of 9 known patterns with a 72.7% hypothesis support rate, outperforming both classical causal discovery and LLM-guided baselines. Ablations show that DiscoPER scales with more data, and confirms the benefits of second-order meta-reflection.

  • 3 authors
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Jun 30 2

Evaluation of Code LLMs on Geospatial Code Generation

Software development support tools have been studied for a long time, with recent approaches using Large Language Models (LLMs) for code generation. These models can generate Python code for data science and machine learning applications. LLMs are helpful for software engineers because they increase productivity in daily work. An LLM can also serve as a "mentor" for inexperienced software developers, and be a viable learning support. High-quality code generation with LLMs can also be beneficial in geospatial data science. However, this domain poses different challenges, and code generation LLMs are typically not evaluated on geospatial tasks. Here, we show how we constructed an evaluation benchmark for code generation models, based on a selection of geospatial tasks. We categorised geospatial tasks based on their complexity and required tools. Then, we created a dataset with tasks that test model capabilities in spatial reasoning, spatial data processing, and geospatial tools usage. The dataset consists of specific coding problems that were manually created for high quality. For every problem, we proposed a set of test scenarios that make it possible to automatically check the generated code for correctness. In addition, we tested a selection of existing code generation LLMs for code generation in the geospatial domain. We share our dataset and reproducible evaluation code on a public GitHub repository, arguing that this can serve as an evaluation benchmark for new LLMs in the future. Our dataset will hopefully contribute to the development new models capable of solving geospatial coding tasks with high accuracy. These models will enable the creation of coding assistants tailored for geospatial applications.

  • 3 authors
·
Oct 6, 2024

Spark-to-Paper: End-to-End Research Paper Generation as a Composable Skill

Turning a research idea into a complete paper requires more than text generation: the system must retrieve literature, design and execute experiments, revise claims according to evidence, produce publication-ready figures, and maintain consistency across a long generation process. We present Spark-to-Paper, an end-to-end research paper generation system implemented as thirteen composable skills inside an existing coding assistant, without requiring a separate agent platform or orchestration service. Spark-to-Paper separates model-based judgment from deterministic operations that can be directly executed and checked. It further separates experiment planning from reporting, so that required evidence is specified before results are observed and manuscript claims are revised according to measured outcomes. To improve reliability over long research trajectories, the system combines deterministic integrity checks with self-critique and bounds a failure mode we call the Self-Refutation Loop, in which repeated experiments continue to reject the original research objective. Spark-to-Paper also produces editable vector figures through programmatic plotting for experimental results and code-based reconstruction for generated method diagrams. Across eight controlled research topics, Spark-to-Paper achieves 99.5% citation validity and 96.4% figure editability. A controlled ablation increases fabrication detection from 14% for a single-pass draft to 92% with the full integrity and review stack, while adversarial review achieves 74% precision. The full system uses 11.9M tokens, costs $8.1 per manuscript, and requires 3.2 hours on average. These results show that end-to-end research paper generation can be implemented as a lightweight, composable workflow inside existing coding assistants while keeping experimental evidence central to how claims are accepted, revised, or abandoned.

  • 9 authors
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Aug 11 3

Learning to Evaluate Before Improving: Automatic Rubric Induction for Automatic Research Agents

Autonomous scientific research agents are increasingly applied to end-to-end scientific workflows, including literature review, data analysis, experimentation, and report generation. However, open-ended research tasks often do not clearly specify the analyses, methods, and success criteria required to complete the task. As a result, agents may miss important analyses, use inappropriate methods, or draw conclusions that are insufficiently supported by evidence. To address the problem, we present AutoSciRub, an evaluation-first framework that induces a task-specific executable rubric before research execution, and uses it to guide execution, criterion-level verification as well as iterative revision. AutoSciRub decomposes an underspecified instruction into atomic scientific goals, grounds them in relevant literature and task-visible data, and synthesizes specific, actionable, and verifiable criteria. The resulting rubric makes implicit experimental and evidential requirements explicit, providing guidance for experiments and analyses. During revision, rubric-guided verification identifies unmet criteria and enables targeted refinement of the research report and its supporting artifacts. On ResearchClawBench, AutoSciRub consistently improves all tested configurations, with an average gain of 2.08 points across three backbone LLMs under the fixed Codex harness and 2.95 points across three agent harnesses using a fixed DeepSeek-V4-Flash backbone. On a randomly sampled 20-task subset of AstaBench E2E Discovery, AutoSciRub further achieves an average improvement of 16.8 points across three agent harnesses, while maintaining or increasing the number of successfully completed tasks. These results demonstrate that evaluation-first guidance provides an effective and generalizable control mechanism for autonomous scientific research (Code: https://github.com/zjunlp/AutoSciRub).

zjunlp ZJUNLP
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Aug 30 2

Do Datasets Have Politics? Disciplinary Values in Computer Vision Dataset Development

Data is a crucial component of machine learning. The field is reliant on data to train, validate, and test models. With increased technical capabilities, machine learning research has boomed in both academic and industry settings, and one major focus has been on computer vision. Computer vision is a popular domain of machine learning increasingly pertinent to real-world applications, from facial recognition in policing to object detection for autonomous vehicles. Given computer vision's propensity to shape machine learning research and impact human life, we seek to understand disciplinary practices around dataset documentation - how data is collected, curated, annotated, and packaged into datasets for computer vision researchers and practitioners to use for model tuning and development. Specifically, we examine what dataset documentation communicates about the underlying values of vision data and the larger practices and goals of computer vision as a field. To conduct this study, we collected a corpus of about 500 computer vision datasets, from which we sampled 114 dataset publications across different vision tasks. Through both a structured and thematic content analysis, we document a number of values around accepted data practices, what makes desirable data, and the treatment of humans in the dataset construction process. We discuss how computer vision datasets authors value efficiency at the expense of care; universality at the expense of contextuality; impartiality at the expense of positionality; and model work at the expense of data work. Many of the silenced values we identify sit in opposition with social computing practices. We conclude with suggestions on how to better incorporate silenced values into the dataset creation and curation process.

  • 3 authors
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Aug 9, 2021

A Dataset for Modeling Iterative Problem-Solving

Solving problems through repeated attempts is a sequential modeling task: at each step, the solver receives feedback and decides how to revise their solutions. Predicting whether performance improves, plateaus, or regresses across attempts is central to understanding any iterative problem-solving process in both human learners and autonomous agents. Beyond outcomes, modeling what errors persist and how strategies shift across attempts provides deeper insight into the mechanics of sequential learning. Studying these dynamics requires observing many solvers as they attempt, receive feedback, and revise. Programming courses with automated grading provide this setting, as students iteratively submit code to test suites and receive feedback on every attempt. We therefore curate CodeInsight, a large-scale dataset of over 3 million submissions from 3,286 undergraduates across 2 introductory C++ courses in 2 academic years, with test-case-level outcomes, timestamps, and source code. On this dataset, we build a benchmark that evaluates models spanning parametric, sequential, and generative traditions under a shared calibration-and-scoring protocol, including a Recurrent State Space Model (RSSM) adapted to track solver characteristics through discrete latent variables and an LLM-based predictor that generates explicit solutions. The adapted RSSM achieves the strongest predictive accuracy on three of the four courses. The LLM predictor is less accurate but produces full submissions at each attempt, enabling direct analysis of failure modes. We find that the model's coding proficiency is inversely related to predictive performance in this setting, with the LLM better understood as a generative solver conditioned on context rather than a faithful predictor of solver behavior. We publicly release our code and the dataset on request to facilitate future research.

  • 7 authors
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Aug 31

AI CFD Scientist: Toward Open-Ended Computational Fluid Dynamics Discovery with Physics-Aware AI Agents

Recent LLM-based agents have closed substantial portions of the scientific discovery loop in software-only machine-learning research, in chemistry, and in biology. Extending the same loop to high-fidelity physical simulators is harder, because solver completion does not imply physical validity and many failure modes appear only in field-level imagery rather than in solver logs. We present AI CFD Scientist, an open-source AI scientist for computational fluid dynamics (CFD) that, to our knowledge, is the first to span literature-grounded ideation, validated execution, vision-based physics verification, source-code modification, and figure-grounded writing within a single inspectable workflow. Three coupled pathways cover parameter sweeps within a fixed solver, case-local C++ library compilation for new physical models, and open-ended hypothesis search against a reference comparator, all running on OpenFOAM through Foam-Agent. At the center of the framework is a vision-language physics-verification gate that inspects rendered flow fields before any result is accepted, rerun, or written into a manuscript. On five tasks under a shared GPT-5.5 backbone, AI CFD Scientist autonomously discovers a Spalart-Allmaras runtime correction that reduces lower-wall Cf RMSE against DNS by 7.89% on the periodic hill at Reh=5600; under matched LLM cost, two strong general AI-scientist baselines (ARIS, DeepScientist) execute partial CFD workflows but lack the domain-specific validity gates needed to convert runs into defensible scientific claims; and a controlled planted-failure ablation shows that the vision-language gate detects 14 of 16 silent failures missed by solver-level checks. Code, prompts, and run artifacts are released at https://github.com/csml-rpi/cfd-scientist.

AI Fairness 360: An Extensible Toolkit for Detecting, Understanding, and Mitigating Unwanted Algorithmic Bias

Fairness is an increasingly important concern as machine learning models are used to support decision making in high-stakes applications such as mortgage lending, hiring, and prison sentencing. This paper introduces a new open source Python toolkit for algorithmic fairness, AI Fairness 360 (AIF360), released under an Apache v2.0 license {https://github.com/ibm/aif360). The main objectives of this toolkit are to help facilitate the transition of fairness research algorithms to use in an industrial setting and to provide a common framework for fairness researchers to share and evaluate algorithms. The package includes a comprehensive set of fairness metrics for datasets and models, explanations for these metrics, and algorithms to mitigate bias in datasets and models. It also includes an interactive Web experience (https://aif360.mybluemix.net) that provides a gentle introduction to the concepts and capabilities for line-of-business users, as well as extensive documentation, usage guidance, and industry-specific tutorials to enable data scientists and practitioners to incorporate the most appropriate tool for their problem into their work products. The architecture of the package has been engineered to conform to a standard paradigm used in data science, thereby further improving usability for practitioners. Such architectural design and abstractions enable researchers and developers to extend the toolkit with their new algorithms and improvements, and to use it for performance benchmarking. A built-in testing infrastructure maintains code quality.

  • 18 authors
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Oct 3, 2018

DSAEval: Evaluating Data Science Agents on a Wide Range of Real-World Data Science Problems

Recent LLM-based data agents aim to automate data science tasks ranging from data analysis to deep learning. However, the open-ended nature of real-world data science problems, which often span multiple taxonomies and lack standard answers, poses a significant challenge for evaluation. To address this, we introduce DSAEval, a benchmark comprising 641 real-world data science problems grounded in 285 diverse datasets, covering both structured and unstructured data (e.g., vision and text). DSAEval incorporates three distinctive features: (1) Multimodal Environment Perception, which enables agents to interpret observations from multiple modalities including text and vision; (2) Multi-Query Interactions, which mirror the iterative and cumulative nature of real-world data science projects; and (3) Multi-Dimensional Evaluation, which provides a holistic assessment across reasoning, code, and results. We systematically evaluate 11 advanced agentic LLMs using DSAEval. Our results show that Claude-Sonnet-4.5 achieves the strongest overall performance, GPT-5.2 is the most efficient, and MiMo-V2-Flash is the most cost-effective. We further demonstrate that multimodal perception consistently improves performance on vision-related tasks, with gains ranging from 2.04% to 11.30%. Overall, while current data science agents perform well on structured data and routine data anlysis workflows, substantial challenges remain in unstructured domains. Finally, we offer critical insights and outline future research directions to advance the development of data science agents.

SWE-bench Science: Can Coding Agents Resolve Engineering Tasks in Science?

Software increasingly functions as part of the scientific instrument itself, making failures in scientific code capable of compromising not only program behavior but also the evidence underlying scientific conclusions. Yet existing evaluations of coding agents largely emphasize aggregate task success, providing limited insight into why agents fail when repairing scientific software. We introduce SWE-bench Science, a repository-level benchmark for scientific software engineering comprising 119 tasks from 98 GitHub repositories across 20 scientific domains. Each task is organized into one of three paradigms: Issue-driven, Expert-exploratory, and Engineering-integration. Even the best-performing agent, Claude Code with Opus-5 (max), achieves a pass@1 below 50\%, highlighting the substantial challenges posed by scientific software engineering. We identify four recurring failure mechanisms: deficits in scientific knowledge or abstraction, misguided exploration or surface-level repair, incomplete repair coverage or system integration, and failures to generalize scientific knowledge beyond observed cases in our analysis. We further conduct a paired ablation that removes explicit scientific guidance while preserving the repository and executable engineering context. The results show that scientific knowledge is not uniformly beneficial: well-grounded information can constrain repair and improve average performance and token efficiency, whereas poorly aligned guidance can induce anchoring and does not necessarily improve exact repair success. Together, SWE-bench Science provides a broad testbed for studying both the capabilities and failure mechanisms of coding agents in scientific software engineering.

OpenMOSS-Team OpenMOSS
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Aug 19 4

Data Cards: Purposeful and Transparent Dataset Documentation for Responsible AI

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

  • 3 authors
·
Apr 3, 2022

Database Systems Course: Service Learning Project

This paper describes a service learning project used in an upper-level and graduate-level database systems course. Students complete a small database project for a real client. The final product must match the client specification and needs, and include the database design and the final working database system with embedded user documentation. The solution must be implemented in a way to make it as easy to use as possible for the client. Students are expected to conduct professional meetings with their clients to understand the project, analyze the project's requirements, as well as design and implement the solution to the project. Students must have each milestone approved before starting the next phase of the project. The student learning objectives of a database system semester project are to: analyze a client's information system problem and determine the requirements for the solution; design a suitable database solution to the problem; use software design and development tools to design and develop a solution to the problem; communicate and interact with a client on a professional level; prepare effective documentation for both non-technical and technical software users; and interact ethically with all persons involved with a project. The broader impact objectives of a database system semester project are to: provide needed database solutions for organizations and businesses in the local area; provide a resume and portfolio-building opportunity for the students; provide a measure for assessing how well the program meets it mission; provide a mechanism for implementing service-based learning; provide a mechanism for outreach to local-area organizations and businesses; and provide a starting-point for undergraduate research projects.

  • 1 authors
·
Jul 2, 2024

RLCoder: Reinforcement Learning for Repository-Level Code Completion

Repository-level code completion aims to generate code for unfinished code snippets within the context of a specified repository. Existing approaches mainly rely on retrieval-augmented generation strategies due to limitations in input sequence length. However, traditional lexical-based retrieval methods like BM25 struggle to capture code semantics, while model-based retrieval methods face challenges due to the lack of labeled data for training. Therefore, we propose RLCoder, a novel reinforcement learning framework, which can enable the retriever to learn to retrieve useful content for code completion without the need for labeled data. Specifically, we iteratively evaluate the usefulness of retrieved content based on the perplexity of the target code when provided with the retrieved content as additional context, and provide feedback to update the retriever parameters. This iterative process enables the retriever to learn from its successes and failures, gradually improving its ability to retrieve relevant and high-quality content. Considering that not all situations require information beyond code files and not all retrieved context is helpful for generation, we also introduce a stop signal mechanism, allowing the retriever to decide when to retrieve and which candidates to retain autonomously. Extensive experimental results demonstrate that RLCoder consistently outperforms state-of-the-art methods on CrossCodeEval and RepoEval, achieving 12.2% EM improvement over previous methods. Moreover, experiments show that our framework can generalize across different programming languages and further improve previous methods like RepoCoder. We provide the code and data at https://github.com/DeepSoftwareAnalytics/RLCoder.

  • 7 authors
·
Jul 28, 2024

Modernizing use of regression models in physics education research: a review of hierarchical linear modeling

Physics education researchers (PER) often analyze student data with single-level regression models (e.g., linear and logistic regression). However, education datasets can have hierarchical structures, such as students nested within courses, that single-level models fail to account for. The improper use of single-level models to analyze hierarchical datasets can lead to biased findings. Hierarchical models (a.k.a., multi-level models) account for this hierarchical nested structure in the data. In this publication, we outline the theoretical differences between how single-level and multi-level models handle hierarchical datasets. We then present analysis of a dataset from 112 introductory physics courses using both multiple linear regression and hierarchical linear modeling to illustrate the potential impact of using an inappropriate analytical method on PER findings and implications. Research can leverage multi-institutional datasets to improve the field's understanding of how to support student success in physics. There is no post hoc fix, however, if researchers use inappropriate single-level models to analyze multi-level datasets. To continue developing reliable and generalizable knowledge, PER should use hierarchical models when analyzing hierarchical datasets. The supplemental materials include a sample dataset, R code to model the building and analysis presented in the paper, and an HTML output from the R code.

  • 2 authors
·
Jul 17, 2018

AutoSDT: Scaling Data-Driven Discovery Tasks Toward Open Co-Scientists

Despite long-standing efforts in accelerating scientific discovery with AI, building AI co-scientists remains challenging due to limited high-quality data for training and evaluation. To tackle this data scarcity issue, we present AutoSDT, an automatic pipeline that collects high-quality coding tasks in real-world data-driven discovery workflows. AutoSDT leverages the coding capabilities and parametric knowledge of LLMs to search for diverse sources, select ecologically valid tasks, and synthesize accurate task instructions and code solutions. Using our pipeline, we construct AutoSDT-5K, a dataset of 5,404 coding tasks for data-driven discovery that covers four scientific disciplines and 756 unique Python packages. To the best of our knowledge, AutoSDT-5K is the only automatically collected and the largest open dataset for data-driven scientific discovery. Expert feedback on a subset of 256 tasks shows the effectiveness of AutoSDT: 93% of the collected tasks are ecologically valid, and 92.2% of the synthesized programs are functionally correct. Trained on AutoSDT-5K, the Qwen2.5-Coder-Instruct LLM series, dubbed AutoSDT-Coder, show substantial improvement on two challenging data-driven discovery benchmarks, ScienceAgentBench and DiscoveryBench. Most notably, AutoSDT-Coder-32B reaches the same level of performance as GPT-4o on ScienceAgentBench with a success rate of 7.8%, doubling the performance of its base model. On DiscoveryBench, it lifts the hypothesis matching score to 8.1, bringing a 17.4% relative improvement and closing the gap between open-weight models and GPT-4o.

  • 19 authors
·
Jun 9, 2025

ReVise: A Human-AI Interface for Incremental Algorithmic Recourse

The recent adoption of artificial intelligence in socio-technical systems raises concerns about the black-box nature of the resulting decisions in fields such as hiring, finance, admissions, etc. If data subjects -- such as job applicants, loan applicants, and students -- receive an unfavorable outcome, they may be interested in algorithmic recourse, which involves updating certain features to yield a more favorable result when re-evaluated by algorithmic decision-making. Unfortunately, when individuals do not fully understand the incremental steps needed to change their circumstances, they risk following misguided paths that can lead to significant, long-term adverse consequences. Existing recourse approaches focus exclusively on the final recourse goal but neglect the possible incremental steps to reach the goal with real-life constraints, user preferences, and model artifacts. To address this gap, we formulate a visual analytic workflow for incremental recourse planning in collaboration with AI/ML experts and contribute an interactive visualization interface that helps data subjects efficiently navigate the recourse alternatives and make an informed decision. We present a usage scenario and subjective feedback from observational studies with twelve graduate students using a real-world dataset, which demonstrates that our approach can be instrumental for data subjects in choosing a suitable recourse path.

  • 3 authors
·
Jul 1, 2025

Album: executable building blocks for scientific imaging routines, from sharing to LLM-assisted orchestration

Open-source scientific software is a major driver of scientific progress, yet its development and reuse remain difficult in collaborative settings. Researchers repeatedly face four recurring challenges: discovering and reproducing existing routines, adapting them for new use cases, sharing and scaling them across collaborators, and stabilizing them with reproducible execution environments. We present Album, an open-source framework for packaging and sharing scientific routines as executable artifacts through two minimal primitives: (i) the solution, a Python-native executable entry point that combines machine-readable metadata, arguments, environment specifications, and lifecycle hooks; and (ii) the catalog, a decentralized, git-native distribution mechanism with indexed search and optional web rendering for discovery, provenance, and governance. Album uses a two-context execution model in which a host controller evaluates manifests and prepares per-solution environments, while lifecycle hooks execute inside isolated solution environments. This design supports reproducible execution, post-environment setup, and the composition of routines with incompatible dependencies. Album can be used in conjunction with LLM agents: solutions can be drafted and revised with LLM assistance, and a MCP interface exposes cataloged solutions as callable tools for tool-grounded discovery and orchestration. We evaluate Album through four realworld imaging deployments spanning interactive visualization of electron microscopy data, integration of multiple segmentation methods, the orchestration of cryo-electron tomography competition workflows, and mineral quantification pipelines. Overall, Album complements package managers, workflow systems, and container runtimes by making scientific routines executable, shareable artifacts. Documentation and examples are available at https://album.solutions.

  • 5 authors
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Apr 20