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Jan 12

The AI Scientist-v2: Workshop-Level Automated Scientific Discovery via Agentic Tree Search

AI is increasingly playing a pivotal role in transforming how scientific discoveries are made. We introduce The AI Scientist-v2, an end-to-end agentic system capable of producing the first entirely AI generated peer-review-accepted workshop paper. This system iteratively formulates scientific hypotheses, designs and executes experiments, analyzes and visualizes data, and autonomously authors scientific manuscripts. Compared to its predecessor (v1, Lu et al., 2024 arXiv:2408.06292), The AI Scientist-v2 eliminates the reliance on human-authored code templates, generalizes effectively across diverse machine learning domains, and leverages a novel progressive agentic tree-search methodology managed by a dedicated experiment manager agent. Additionally, we enhance the AI reviewer component by integrating a Vision-Language Model (VLM) feedback loop for iterative refinement of content and aesthetics of the figures. We evaluated The AI Scientist-v2 by submitting three fully autonomous manuscripts to a peer-reviewed ICLR workshop. Notably, one manuscript achieved high enough scores to exceed the average human acceptance threshold, marking the first instance of a fully AI-generated paper successfully navigating a peer review. This accomplishment highlights the growing capability of AI in conducting all aspects of scientific research. We anticipate that further advancements in autonomous scientific discovery technologies will profoundly impact human knowledge generation, enabling unprecedented scalability in research productivity and significantly accelerating scientific breakthroughs, greatly benefiting society at large. We have open-sourced the code at https://github.com/SakanaAI/AI-Scientist-v2 to foster the future development of this transformative technology. We also discuss the role of AI in science, including AI safety.

  • 8 authors
·
Apr 10, 2025 3

Diagnosing Failure Root Causes in Platform-Orchestrated Agentic Systems: Dataset, Taxonomy, and Benchmark

Agentic systems consisting of multiple LLM-driven agents coordinating through tools and structured interactions, are increasingly deployed for complex reasoning and problem-solving tasks. At the same time, emerging low-code and template-based agent development platforms (e.g., Dify) enable users to rapidly build and orchestrate agentic systems, which we refer to as platform-orchestrated agentic systems. However, these systems are also fragile and it remains unclear how to systematically identify their potential failure root cause. This paper presents a study of root cause identification of these platform-orchestrated agentic systems. To support this initiative, we construct a dataset AgentFail containing 307 failure logs from ten agentic systems, each with fine-grained annotations linking failures to their root causes. We additionally utilize counterfactual reasoning-based repair strategy to ensure the reliability of the annotation. Building on the dataset, we develop a taxonomy that characterizes failure root causes and analyze their distribution across different platforms and task domains. Furthermore, we introduce a benchmark that leverages LLMs for automatically identifying root causes, in which we also utilize the proposed taxonomy as guidance for LLMs. Results show that the taxonomy can largely improve the performance, thereby confirming its utility. Nevertheless, the accuracy of root cause identification reaches at most 33.6%, which indicates that this task still remains challenging. In light of these results, we also provide actionable guidelines for building such agentic systems. In summary, this paper provides a reliable dataset of failure root cause for platform-orchestrated agentic systems, corresponding taxonomy and benchmark, which serves as a foundation for advancing the development of more reliable agentic systems.

  • 7 authors
·
Sep 28, 2025

SMF: Template-free and Rig-free Animation Transfer using Kinetic Codes

Animation retargetting applies sparse motion description (e.g., keypoint sequences) to a character mesh to produce a semantically plausible and temporally coherent full-body mesh sequence. Existing approaches come with restrictions -- they require access to template-based shape priors or artist-designed deformation rigs, suffer from limited generalization to unseen motion and/or shapes, or exhibit motion jitter. We propose Self-supervised Motion Fields (SMF), a self-supervised framework that is trained with only sparse motion representations, without requiring dataset-specific annotations, templates, or rigs. At the heart of our method are Kinetic Codes, a novel autoencoder-based sparse motion encoding, that exposes a semantically rich latent space, simplifying large-scale training. Our architecture comprises dedicated spatial and temporal gradient predictors, which are jointly trained in an end-to-end fashion. The combined network, regularized by the Kinetic Codes' latent space, has good generalization across both unseen shapes and new motions. We evaluated our method on unseen motion sampled from AMASS, D4D, Mixamo, and raw monocular video for animation transfer on various characters with varying shapes and topology. We report a new SoTA on the AMASS dataset in the context of generalization to unseen motion. Code, weights, and supplementary are available on the project webpage at https://motionfields.github.io/

  • 3 authors
·
Apr 7, 2025

Template-Driven LLM-Paraphrased Framework for Tabular Math Word Problem Generation

Solving tabular math word problems (TMWPs) has become a critical role in evaluating the mathematical reasoning ability of large language models (LLMs), where large-scale TMWP samples are commonly required for LLM fine-tuning. Since the collection of high-quality TMWP datasets is costly and time-consuming, recent research has concentrated on automatic TMWP generation. However, current generated samples usually suffer from issues of either correctness or diversity. In this paper, we propose a Template-driven LLM-paraphrased (TeLL) framework for generating high-quality TMWP samples with diverse backgrounds and accurate tables, questions, answers, and solutions. To this end, we first extract templates from existing real samples to generate initial problems, ensuring correctness. Then, we adopt an LLM to extend templates and paraphrase problems, obtaining diverse TMWP samples. Furthermore, we find the reasoning annotation is important for solving TMWPs. Therefore, we propose to enrich each solution with illustrative reasoning steps. Through the proposed framework, we construct a high-quality dataset TabMWP-TeLL by adhering to the question types in the TabMWP dataset, and we conduct extensive experiments on a variety of LLMs to demonstrate the effectiveness of TabMWP-TeLL in improving TMWP solving performance. The code and data of this paper are available at: https://github.com/Jason8Kang/TELL.

  • 6 authors
·
Dec 20, 2024

GAMMA: Revisiting Template-based Automated Program Repair via Mask Prediction

Automated program repair (APR) aims to fix software bugs without human intervention and template-based APR has been widely investigated with promising results. However, it is challenging for template-based APR to select the appropriate donor code, which is an important repair ingredient for generating candidate patches. Inappropriate donor code may cause plausible but incorrect patch generation even with correct fix patterns, limiting the repair performance. In this paper, we aim to revisit template-based APR, and propose GAMMA, to directly leverage large pre-trained language models for donor code generation. Our main insight is that instead of retrieving donor code in the local buggy file, we can directly predict the correct code tokens based on the context code snippets and repair patterns by a cloze task. Specifically, (1) GAMMA revises a variety of fix templates from state-of-the-art template-based APR techniques (i.e., TBar) and transforms them into mask patterns. (2) GAMMA adopts a pre-trained language model to predict the correct code for masked code as a fill-in-the-blank task. The experimental results demonstrate that GAMMA correctly repairs 82 bugs on Defects4J-v1.2, which achieves 20.59\% (14 bugs) and 26.15\% (17 bugs) improvement over the previous state-of-the-art template-based approach TBar and learning-based one Recoder. Furthermore, GAMMA repairs 45 bugs and 22 bugs from the additional Defects4J-v2.0 and QuixBugs, indicating the generalizability of GAMMA in addressing the dataset overfitting issue. We also prove that adopting other pre-trained language models can provide substantial advancement, e.g., CodeBERT-based and ChatGPT-based GAMMA is able to fix 80 and 67 bugs on Defects4J-v1.2, indicating the scalability of GAMMA. Overall, our study highlights the promising future of adopting pre-trained models to generate correct patches on top of fix patterns.

  • 6 authors
·
Sep 17, 2023

Training and Evaluating Language Models with Template-based Data Generation

The rapid advancement of large language models (LLMs) such as GPT-3, PaLM, and Llama has significantly transformed natural language processing, showcasing remarkable capabilities in understanding and generating language. However, these models often struggle with tasks requiring complex reasoning, particularly in mathematical problem-solving, due in part to the scarcity of large-scale, high-quality, domain-specific datasets necessary for training sophisticated reasoning abilities. To address this limitation, we introduce Template-based Data Generation (TDG), a novel approach that leverages LLMs (GPT-4) to automatically generate parameterized meta-templates, which are then used to synthesize a vast array of high-quality problems and solutions. Leveraging TDG, we create TemplateMath Part I: TemplateGSM, a dataset comprising over 7 million synthetically generated grade school math problems--each accompanied by code-based and natural language solutions--with the potential to generate an effectively unlimited number more. This dataset alleviates the scarcity of large-scale mathematical datasets and serves as a valuable resource for pre-training, fine-tuning, and evaluating LLMs in mathematical reasoning. Our method not only enables the generation of virtually infinite data but also elevates data augmentation to a new level by using GPT-4 for meta-template generation, ensuring diverse and high-quality problem structures. The TemplateMath Part I: TemplateGSM dataset is publicly available at https://huggingface.co/datasets/math-ai/TemplateGSM. The code is available at https://github.com/iiis-ai/TemplateMath.

math-ai math-ai
·
Nov 27, 2024 3

InterTrack: Tracking Human Object Interaction without Object Templates

Tracking human object interaction from videos is important to understand human behavior from the rapidly growing stream of video data. Previous video-based methods require predefined object templates while single-image-based methods are template-free but lack temporal consistency. In this paper, we present a method to track human object interaction without any object shape templates. We decompose the 4D tracking problem into per-frame pose tracking and canonical shape optimization. We first apply a single-view reconstruction method to obtain temporally-inconsistent per-frame interaction reconstructions. Then, for the human, we propose an efficient autoencoder to predict SMPL vertices directly from the per-frame reconstructions, introducing temporally consistent correspondence. For the object, we introduce a pose estimator that leverages temporal information to predict smooth object rotations under occlusions. To train our model, we propose a method to generate synthetic interaction videos and synthesize in total 10 hour videos of 8.5k sequences with full 3D ground truth. Experiments on BEHAVE and InterCap show that our method significantly outperforms previous template-based video tracking and single-frame reconstruction methods. Our proposed synthetic video dataset also allows training video-based methods that generalize to real-world videos. Our code and dataset will be publicly released.

  • 3 authors
·
Aug 25, 2024

PIGEON: Optimizing CUDA Code Generator for End-to-End Training and Inference of Relational Graph Neural Networks

Relational graph neural networks (RGNNs) are graph neural networks (GNNs) with dedicated structures for modeling the different types of nodes and/or edges in heterogeneous graphs. While RGNNs have been increasingly adopted in many real-world applications due to their versatility and accuracy, they pose performance and system design challenges due to their inherent computation patterns, gap between the programming interface and kernel APIs, and heavy programming efforts in optimizing kernels caused by their coupling with data layout and heterogeneity. To systematically address these challenges, we propose Pigeon, a novel two-level intermediate representation (IR) and its code generator framework, that (a) represents the key properties of the RGNN models to bridge the gap between the programming interface and kernel APIs, (b) decouples model semantics, data layout, and operators-specific optimization from each other to reduce programming efforts, (c) expresses and leverages optimization opportunities in inter-operator transforms, data layout, and operator-specific schedules. By building on one general matrix multiply (GEMM) template and a node/edge traversal template, Pigeon achieves up to 7.8x speed-up in inference and 5.6x speed-up in training compared with the state-of-the-art public systems in select models, i.e., RGCN, RGAT, HGT, when running heterogeneous graphs provided by Deep Graph Library (DGL) and Open Graph Benchmark (OGB). Pigeon also triggers fewer out-of-memory (OOM) errors. In addition, we propose linear operator fusion and compact materialization to further accelerate the system by up to 2.2x.

  • 7 authors
·
Jan 16, 2023

ChartM$^3$: A Multi-Stage Code-Driven Pipeline for Constructing Multi-Dimensional and Multi-Step Visual Reasoning Data in Chart Comprehension

Complex chart understanding tasks demand advanced visual recognition and reasoning capabilities from multimodal large language models (MLLMs). However, current research provides limited coverage of complex chart scenarios and computation-intensive reasoning tasks prevalent in real-world applications. This study proposes an automated multi-stage code-driven pipeline for systematically generating visual reasoning datasets to address these limitations. The pipeline integrates retrieval-augmented generation (RAG) to retrieve professional chart templates and employs chain-of-thought (CoT) strategies to generate reasoning codes that simulate real data distributions, thereby driving chart rendering and question-related statistical computations. Through model-based evaluation, the pipeline enhances chart diversity and data quality. Using this framework, we construct ChartM^3, a multi-dimensional and multi-step dataset containing 38K charts and 142K Q&A pairs for training, along with 2,871 high-quality evaluation samples for enabling practical performance assessment. Supervised fine-tuning (SFT) and reinforcement learning (RL) experiments demonstrate that our dataset significantly improves reasoning capabilities and cross-domain generalization performance, enabling smaller models to achieve performance comparable to larger-scale models in complex chart comprehension.

  • 5 authors
·
Nov 4, 2025 1

REACCEPT: Automated Co-evolution of Production and Test Code Based on Dynamic Validation and Large Language Models

Synchronizing production and test code, known as PT co-evolution, is critical for software quality in the software development lifecycle. Existing methods for automatic PT co-evolution either utilize predefined heuristic rules or rely on simple application of machine learning techniques. Due to the limitations of underlying techniques, existing methods either only partially automate PT co-evolution (e.g., only automate obsolete test code identification) or result in low accuracy. In this paper, we propose REACCEPT, a novel approach that leverages large language models and dynamic validation to fully automate PT co-evolution (i.e., capable of both identifying and updating obsolete test cases). REACCEPT relies on experience-based prompt template generation, dynamic validation, and retrieval-augmented generation techniques to accomplish automated PT co-evolution. To evaluate REACCEPT's effectiveness, we extensive experiments with a dataset of 537 Java projects and compared REACCEPT's performance with several state-of-the-art methods. Results show that REACCEPT achieved an update accuracy of 60.16% on correctly identified obsolete test code, surpassing the state-of-the-art technique CEPROT by 90%. This confirms that REACCEPT can effectively assist developers in maintaining test code, improving overall software quality and reducing maintenance effort.

  • 7 authors
·
Nov 17, 2024

SymRTLO: Enhancing RTL Code Optimization with LLMs and Neuron-Inspired Symbolic Reasoning

Optimizing Register Transfer Level (RTL) code is crucial for improving the power, performance, and area (PPA) of digital circuits in the early stages of synthesis. Manual rewriting, guided by synthesis feedback, can yield high-quality results but is time-consuming and error-prone. Most existing compiler-based approaches have difficulty handling complex design constraints. Large Language Model (LLM)-based methods have emerged as a promising alternative to address these challenges. However, LLM-based approaches often face difficulties in ensuring alignment between the generated code and the provided prompts. This paper presents SymRTLO, a novel neuron-symbolic RTL optimization framework that seamlessly integrates LLM-based code rewriting with symbolic reasoning techniques. Our method incorporates a retrieval-augmented generation (RAG) system of optimization rules and Abstract Syntax Tree (AST)-based templates, enabling LLM-based rewriting that maintains syntactic correctness while minimizing undesired circuit behaviors. A symbolic module is proposed for analyzing and optimizing finite state machine (FSM) logic, allowing fine-grained state merging and partial specification handling beyond the scope of pattern-based compilers. Furthermore, a fast verification pipeline, combining formal equivalence checks with test-driven validation, further reduces the complexity of verification. Experiments on the RTL-Rewriter benchmark with Synopsys Design Compiler and Yosys show that SymRTLO improves power, performance, and area (PPA) by up to 43.9%, 62.5%, and 51.1%, respectively, compared to the state-of-the-art methods.

  • 15 authors
·
Apr 14, 2025

How do Observable Users Decompose D3 Code? A Qualitative Study

Many toolkit developers seek to streamline the visualization programming process through structured support such as prescribed templates and example galleries. However, few projects examine how users organize their own visualization programs and how their coding choices may deviate from the intents of toolkit developers, impacting visualization prototyping and design. Further, is it possible to infer users' reasoning indirectly through their code, even when users copy code from other sources? We explore this question through a qualitative analysis of 715 D3 programs on Observable. We identify three levels of program organization based on how users decompose their code into smaller blocks: Program-, Chart-, and Component-Level code decomposition, with a strong preference for Component-Level reasoning. In a series of interviews, we corroborate that these levels reflect how Observable users reason about visualization programs. We compare common user-made components with those theorized in the Grammar of Graphics to assess overlap in user and toolkit developer reasoning. We find that, while the Grammar of Graphics covers basic visualizations well, it falls short in describing complex visualization types, especially those with animation, interaction, and parameterization components. Our findings highlight how user practices differ from formal grammars and reinforce ongoing efforts to rethink visualization toolkit support, including augmenting learning tools and AI assistants to better reflect real-world coding strategies.

  • 5 authors
·
May 23, 2024

Generating Grounded Responses to Counter Misinformation via Learning Efficient Fine-Grained Critiques

Fake news and misinformation poses a significant threat to society, making efficient mitigation essential. However, manual fact-checking is costly and lacks scalability. Large Language Models (LLMs) offer promise in automating counter-response generation to mitigate misinformation, but a critical challenge lies in their tendency to hallucinate non-factual information. Existing models mainly rely on LLM self-feedback to reduce hallucination, but this approach is computationally expensive. In this paper, we propose MisMitiFact, Misinformation Mitigation grounded in Facts, an efficient framework for generating fact-grounded counter-responses at scale. MisMitiFact generates simple critique feedback to refine LLM outputs, ensuring responses are grounded in evidence. We develop lightweight, fine-grained critique models trained on data sourced from readily available fact-checking sites to identify and correct errors in key elements such as numerals, entities, and topics in LLM generations. Experiments show that MisMitiFact generates counter-responses of comparable quality to LLMs' self-feedback while using significantly smaller critique models. Importantly, it achieves ~5x increase in feedback generation throughput, making it highly suitable for cost-effective, large-scale misinformation mitigation. Code and LLM prompt templates are at https://github.com/xxfwin/MisMitiFact.

  • 3 authors
·
Jun 6, 2025

QuantumLLMInstruct: A 500k LLM Instruction-Tuning Dataset with Problem-Solution Pairs for Quantum Computing

We present QuantumLLMInstruct (QLMMI), an innovative dataset featuring over 500,000 meticulously curated instruction-following problem-solution pairs designed specifically for quantum computing - the largest and most comprehensive dataset of its kind. Originating from over 90 primary seed domains and encompassing hundreds of subdomains autonomously generated by LLMs, QLMMI marks a transformative step in the diversity and richness of quantum computing datasets. Designed for instruction fine-tuning, QLMMI seeks to significantly improve LLM performance in addressing complex quantum computing challenges across a wide range of quantum physics topics. While Large Language Models (LLMs) have propelled advancements in computational science with datasets like Omni-MATH and OpenMathInstruct, these primarily target Olympiad-level mathematics, leaving quantum computing largely unexplored. The creation of QLMMI follows a rigorous four-stage methodology. Initially, foundational problems are developed using predefined templates, focusing on critical areas such as synthetic Hamiltonians, QASM code generation, Jordan-Wigner transformations, and Trotter-Suzuki quantum circuit decompositions. Next, detailed and domain-specific solutions are crafted to ensure accuracy and relevance. In the third stage, the dataset is enriched through advanced reasoning techniques, including Chain-of-Thought (CoT) and Task-Oriented Reasoning and Action (ToRA), which enhance problem-solution diversity while adhering to strict mathematical standards. Lastly, a zero-shot Judge LLM performs self-assessments to validate the dataset's quality and reliability, minimizing human oversight requirements.

  • 1 authors
·
Dec 30, 2024

EditVal: Benchmarking Diffusion Based Text-Guided Image Editing Methods

A plethora of text-guided image editing methods have recently been developed by leveraging the impressive capabilities of large-scale diffusion-based generative models such as Imagen and Stable Diffusion. A standardized evaluation protocol, however, does not exist to compare methods across different types of fine-grained edits. To address this gap, we introduce EditVal, a standardized benchmark for quantitatively evaluating text-guided image editing methods. EditVal consists of a curated dataset of images, a set of editable attributes for each image drawn from 13 possible edit types, and an automated evaluation pipeline that uses pre-trained vision-language models to assess the fidelity of generated images for each edit type. We use EditVal to benchmark 8 cutting-edge diffusion-based editing methods including SINE, Imagic and Instruct-Pix2Pix. We complement this with a large-scale human study where we show that EditVall's automated evaluation pipeline is strongly correlated with human-preferences for the edit types we considered. From both the human study and automated evaluation, we find that: (i) Instruct-Pix2Pix, Null-Text and SINE are the top-performing methods averaged across different edit types, however {\it only} Instruct-Pix2Pix and Null-Text are able to preserve original image properties; (ii) Most of the editing methods fail at edits involving spatial operations (e.g., changing the position of an object). (iii) There is no `winner' method which ranks the best individually across a range of different edit types. We hope that our benchmark can pave the way to developing more reliable text-guided image editing tools in the future. We will publicly release EditVal, and all associated code and human-study templates to support these research directions in https://deep-ml-research.github.io/editval/.

  • 8 authors
·
Oct 3, 2023

AskIt: Unified Programming Interface for Programming with Large Language Models

In the evolving landscape of software development, Large Language Models (LLMs) exhibit a unique phenomenon known as emergent abilities, demonstrating adeptness across numerous tasks, from text summarization to code generation. While these abilities open up novel avenues in software design and crafting, their incorporation presents substantial challenges. Developers grapple with decisions surrounding the direct embedding of LLMs within applications versus employing them for code generation. Moreover, effective prompt design becomes a critical concern, given the necessity of data extraction from natural language outputs. To address these intricacies, this paper introduces AskIt, a domain-specific language (DSL) specifically designed for LLMs. AskIt simplifies LLM integration, offering type-guided output control, template-based function definitions, and a unified interface that diminishes the distinction between LLM-based code generation and application integration. Furthermore, through Programming by Example (PBE), AskIt harnesses the power of few-shot learning at the programming language level. Our evaluations underscore AskIt's potency. Across 50 tasks, AskIt generated concise prompts for the given tasks, achieving a 16.14% reduction in prompt length relative to benchmarks. Additionally, by enabling the transition from direct LLM application usage to function generation, AskIt achieved significant speedups, as observed in our GSM8K benchmark experiments. Through these advancements, AskIt streamlines the integration of LLMs in software development, offering a more efficient, versatile approach for leveraging emergent abilities. The implementations of AskIt in TypeScript and Python are available at https://github.com/katsumiok/ts-askit and https://github.com/katsumiok/pyaskit, respectively.

  • 2 authors
·
Aug 29, 2023

RustMap: Towards Project-Scale C-to-Rust Migration via Program Analysis and LLM

Migrating existing C programs into Rust is increasingly desired, as Rust offers superior memory safety while maintaining C's high performance. However, vastly different features between C and Rust--e.g., distinct definitions and usages of pointers and references--pose significant challenges beyond mere syntactic translation. Existing automated translation tools, such as C2Rust, may rely too much on syntactic, template-based translation and generate unsafe Rust code that is hard for human developers to read, maintain, or even compile. More semantic-aware translation that produces safer, idiomatic, and runnable Rust code is much needed. This paper introduces a novel dependency-guided and large language model (LLM)-based C-to-Rust translation approach, RustMap, based on three key ideas: (1) Utilize LLM capabilities to produce idiomatic Rust code from given small pieces of C code, (2) Mitigate LLM limitations in handling large codebases by breaking project-scale C programs into smaller units for translation according to their usage dependencies and composing them into a runnable Rust program, and (3) Enhance the correctness of the translated Rust program by using test cases to check input/output equivalence, isolate faulty code when execution states deviate, and iteratively refine the translation using feedback from compilation and test errors. We empirically evaluate RustMap on 126 real-world programs, including 125 from Rosetta Code and a 7000+ line bzip2 implementation using GPT-4o as the LLM. RustMap shows promising results, guiding GPT-4o to produce idiomatic, readable, and functional Rust code with significantly less unsafe code than other tools, and revealing non-trivial translation patterns reusable for future research.

  • 9 authors
·
Mar 22, 2025