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Jan 12

In Line with Context: Repository-Level Code Generation via Context Inlining

Repository-level code generation has attracted growing attention in recent years. Unlike function-level code generation, it requires the model to understand the entire repository, reasoning over complex dependencies across functions, classes, and modules. However, existing approaches such as retrieval-augmented generation (RAG) or context-based function selection often fall short: they primarily rely on surface-level similarity and struggle to capture the rich dependencies that govern repository-level semantics. In this paper, we introduce InlineCoder, a novel framework for repository-level code generation. InlineCoder enhances the understanding of repository context by inlining the unfinished function into its call graph, thereby reframing the challenging repository understanding as an easier function-level coding task. Given a function signature, InlineCoder first generates a draft completion, termed an anchor, which approximates downstream dependencies and enables perplexity-based confidence estimation. This anchor drives a bidirectional inlining process: (i) Upstream Inlining, which embeds the anchor into its callers to capture diverse usage scenarios; and (ii) Downstream Retrieval, which integrates the anchor's callees into the prompt to provide precise dependency context. The enriched context, combining draft completion with upstream and downstream perspectives, equips the LLM with a comprehensive repository view.

  • 5 authors
·
Jan 1

Arctic-SnowCoder: Demystifying High-Quality Data in Code Pretraining

Recent studies have been increasingly demonstrating that high-quality data is crucial for effective pretraining of language models. However, the precise definition of "high-quality" remains underexplored. Focusing on the code domain, we introduce Arctic-SnowCoder-1.3B, a data-efficient base code model pretrained on 555B tokens through three phases of progressively refined data: (1) general pretraining with 500B standard-quality code tokens, preprocessed through basic filtering, deduplication, and decontamination, (2) continued pretraining with 50B high-quality tokens, selected from phase one by a BERT-style quality annotator trained to distinguish good code from random data, using positive examples drawn from high-quality code files, along with instruction data from Magicoder and StarCoder2-Instruct, and (3) enhanced pretraining with 5B synthetic data created by Llama-3.1-70B using phase two data as seeds, adapting the Magicoder approach for pretraining. Despite being trained on a limited dataset, Arctic-SnowCoder achieves state-of-the-art performance on BigCodeBench, a coding benchmark focusing on practical and challenging programming tasks, compared to similarly sized models trained on no more than 1T tokens, outperforming Phi-1.5-1.3B by 36%. Across all evaluated benchmarks, Arctic-SnowCoder-1.3B beats StarCoderBase-3B pretrained on 1T tokens. Additionally, it matches the performance of leading small base code models trained on trillions of tokens. For example, Arctic-SnowCoder-1.3B surpasses StarCoder2-3B, pretrained on over 3.3T tokens, on HumanEval+, a benchmark that evaluates function-level code generation, and remains competitive on BigCodeBench. Our evaluation presents a comprehensive analysis justifying various design choices for Arctic-SnowCoder. Most importantly, we find that the key to high-quality data is its alignment with the distribution of downstream applications.

  • 3 authors
·
Sep 3, 2024 2

Can Github issues be solved with Tree Of Thoughts?

While there have been extensive studies in code generation by large language models (LLM), where benchmarks like HumanEval have been surpassed with an impressive 96.3% success rate, these benchmarks predominantly judge a model's performance on basic function-level code generation and lack the critical thinking and concept of scope required of real-world scenarios such as solving GitHub issues. This research introduces the application of the Tree of Thoughts (ToT) language model reasoning framework for enhancing the decision-making and problem-solving abilities of LLMs for this complex task. Compared to traditional input-output (IO) prompting and Retrieval Augmented Generation (RAG) techniques, ToT is designed to improve performance by facilitating a structured exploration of multiple reasoning trajectories and enabling self-assessment of potential solutions. We experimentally deploy ToT in tackling a Github issue contained within an instance of the SWE-bench. However, our results reveal that the ToT framework alone is not enough to give LLMs the critical reasoning capabilities to outperform existing methods. In this paper we analyze the potential causes of these shortcomings and identify key areas for improvement such as deepening the thought process and introducing agentic capabilities. The insights of this research are aimed at informing future directions for refining the application of ToT and better harnessing the potential of LLMs in real-world problem-solving scenarios.

  • 3 authors
·
May 20, 2024

Code2Doc: A Quality-First Curated Dataset for Code Documentation

The performance of automatic code documentation generation models depends critically on the quality of the training data used for supervision. However, most existing code documentation datasets are constructed through large scale scraping of public repositories with limited quality control. As a result, they often contain noisy documentation, extensive duplication, and increasing contamination from AI generated content. These issues weaken the supervision signal available to learning-based models and complicate evaluation. We introduce Code2Doc, a quality-first curated dataset for function-level code documentation generation. Code2Doc consists of 13,358 high-quality function-documentation pairs extracted from widely used open-source repositories spanning five programming languages: Python, Java, TypeScript, JavaScript, and C++. The dataset is constructed using a four-stage curation pipeline that enforces documentation completeness and clarity, filters functions based on structural and complexity criteria, removes exact and near-duplicate code, and identifies documentation likely to be AI generated. Starting from 52,069 extracted candidates, only 25.6% satisfy all quality constraints. We provide a detailed analysis of the resulting dataset, which achieves a mean documentation quality score of 6.93 out of 10. Overall, 86.9% of samples contain explicit type annotations, and only 2.9% are flagged as potentially AI generated. Baseline experiments show that fine-tuning a large language model on Code2Doc yields relative improvements of 29.47% in BLEU and 24.04% in ROUGE-L over zero shot performance, despite the modest dataset size. We release both the dataset and the full curation pipeline to support reproducible research on automatic code documentation generation.

  • 2 authors
·
Dec 21, 2025

BigCodeBench: Benchmarking Code Generation with Diverse Function Calls and Complex Instructions

Automated software engineering has been greatly empowered by the recent advances in Large Language Models (LLMs) for programming. While current benchmarks have shown that LLMs can perform various software engineering tasks like human developers, the majority of their evaluations are limited to short and self-contained algorithmic tasks. Solving challenging and practical programming tasks requires the capability of utilizing diverse function calls as tools to efficiently implement functionalities like data analysis and web development. In addition, using multiple tools to solve a task needs compositional reasoning by accurately understanding complex instructions. Fulfilling both of these characteristics can pose a great challenge for LLMs. To assess how well LLMs can solve challenging and practical programming tasks, we introduce Bench, a benchmark that challenges LLMs to invoke multiple function calls as tools from 139 libraries and 7 domains for 1,140 fine-grained programming tasks. To evaluate LLMs rigorously, each programming task encompasses 5.6 test cases with an average branch coverage of 99%. In addition, we propose a natural-language-oriented variant of Bench, Benchi, that automatically transforms the original docstrings into short instructions only with essential information. Our extensive evaluation of 60 LLMs shows that LLMs are not yet capable of following complex instructions to use function calls precisely, with scores up to 60%, significantly lower than the human performance of 97%. The results underscore the need for further advancements in this area.

bigcode BigCode
·
Jun 22, 2024 8

JavaBench: A Benchmark of Object-Oriented Code Generation for Evaluating Large Language Models

Code generation benchmarks such as HumanEval are widely adopted to evaluate LLMs' capabilities. However, after consolidating the latest 24 benchmarks, we noticed three significant imbalances. First, imbalanced programming language. 95.8% of benchmarks involve Python, while only 5 benchmarks involve Java. Second, imbalanced code granularity. Function-/statement-level benchmarks account for over 83.3% of benchmarks. Only a mere handful extends to class-/project-levels, and all are limited to Python. Third, lacking advanced features. Existing benchmarks primarily assess basic coding skills, while overlooking advanced Object-Oriented Programming (OOP) features (i.e., encapsulation, inheritance, and polymorphism). To fill these gaps, we propose JavaBench, a project-level Java benchmark that exercises OOP features. It comprises four Java projects with 389 methods in 106 Java classes. The test coverage is up to 92%, and JavaBench is attested by 282 undergraduate students, reaching a 90.93/100 average score (i.e., pass rate against the test suite), ensuring the quality of documentation, code skeleton, and tests. To better evaluate LLM's capability against JavaBench, we introduce a systematic evaluation design covering three context settings and five synthesis strategies at two granularities using three hierarchical metrics. Our extensive experiment yields several interesting findings. First, we noticed that regarding project-level Java programming, LLMs are far behind undergraduate students (no project can be correctly completed by any studied LLMs, and at most 41.17% Pass@5 in a more relaxed evaluation). Second, using method signature as prompt context may strike an ideal balance for project-level code generation. JavaBench is publicly available at https://github.com/java-bench/JavaBench.

  • 5 authors
·
Jun 10, 2024

COFFE: A Code Efficiency Benchmark for Code Generation

Code generation has largely improved development efficiency in the era of large language models (LLMs). With the ability to follow instructions, current LLMs can be prompted to generate code solutions given detailed descriptions in natural language. Many research efforts are being devoted to improving the correctness of LLM-generated code, and many benchmarks are proposed to evaluate the correctness comprehensively. Despite the focus on correctness, the time efficiency of LLM-generated code solutions is under-explored. Current correctness benchmarks are not suitable for time efficiency evaluation since their test cases cannot well distinguish the time efficiency of different code solutions. Besides, the current execution time measurement is not stable and comprehensive, threatening the validity of the time efficiency evaluation. To address the challenges in the time efficiency evaluation of code generation, we propose COFFE, a code generation benchmark for evaluating the time efficiency of LLM-generated code solutions. COFFE contains 398 and 358 problems for function-level and file-level code generation, respectively. To improve the distinguishability, we design a novel stressful test case generation approach with contracts and two new formats of test cases to improve the accuracy of generation. For the time evaluation metric, we propose efficienct@k based on CPU instruction count to ensure a stable and solid comparison between different solutions. We evaluate 14 popular LLMs on COFFE and identify four findings. Based on the findings, we draw some implications for LLM researchers and software practitioners to facilitate future research and usage of LLMs in code generation.

  • 4 authors
·
Feb 4, 2025

Class-Level Code Generation from Natural Language Using Iterative, Tool-Enhanced Reasoning over Repository

LLMs have demonstrated significant potential in code generation tasks, achieving promising results at the function or statement level across various benchmarks. However, the complexities associated with creating code artifacts like classes, particularly within the context of real-world software repositories, remain underexplored. Prior research treats class-level generation as an isolated task, neglecting the intricate dependencies & interactions that characterize real-world software environments. To address this gap, we introduce RepoClassBench, a comprehensive benchmark designed to rigorously evaluate LLMs in generating complex, class-level code within real-world repositories. RepoClassBench includes "Natural Language to Class generation" tasks across Java, Python & C# from a selection of repositories. We ensure that each class in our dataset not only has cross-file dependencies within the repository but also includes corresponding test cases to verify its functionality. We find that current models struggle with the realistic challenges posed by our benchmark, primarily due to their limited exposure to relevant repository contexts. To address this shortcoming, we introduce Retrieve-Repotools-Reflect (RRR), a novel approach that equips LLMs with static analysis tools to iteratively navigate & reason about repository-level context in an agent-based framework. Our experiments demonstrate that RRR significantly outperforms existing baselines on RepoClassBench, showcasing its effectiveness across programming languages & under various settings. Our findings emphasize the critical need for code-generation benchmarks to incorporate repo-level dependencies to more accurately reflect the complexities of software development. Our work shows the benefits of leveraging specialized tools to enhance LLMs' understanding of repository context. We plan to make our dataset & evaluation harness public.

  • 7 authors
·
Apr 21, 2024

A Comparative Study of DSL Code Generation: Fine-Tuning vs. Optimized Retrieval Augmentation

Natural Language to Code Generation has made significant progress in recent years with the advent of Large Language Models(LLMs). While generation for general-purpose languages like C, C++, and Python has improved significantly, LLMs struggle with custom function names in Domain Specific Languages or DSLs. This leads to higher hallucination rates and syntax errors, specially for DSLs having a high number of custom function names. Additionally, constant updates to function names add to the challenge as LLMs need to stay up-to-date. In this paper, we present optimizations for using Retrieval Augmented Generation (or RAG) with LLMs for DSL generation along with an ablation study comparing these strategies. We generated a train as well as test dataset with a DSL to represent automation tasks across roughly 700 APIs in public domain. We used the training dataset to fine-tune a Codex model for this DSL. Our results showed that the fine-tuned model scored the best on code similarity metric. With our RAG optimizations, we achieved parity for similarity metric. The compilation rate, however, showed that both the models still got the syntax wrong many times, with RAG-based method being 2 pts better. Conversely, hallucination rate for RAG model lagged by 1 pt for API names and by 2 pts for API parameter keys. We conclude that an optimized RAG model can match the quality of fine-tuned models and offer advantages for new, unseen APIs.

  • 2 authors
·
Jul 2, 2024

MPIrigen: MPI Code Generation through Domain-Specific Language Models

The imperative need to scale computation across numerous nodes highlights the significance of efficient parallel computing, particularly in the realm of Message Passing Interface (MPI) integration. The challenging parallel programming task of generating MPI-based parallel programs has remained unexplored. This study first investigates the performance of state-of-the-art language models in generating MPI-based parallel programs. Findings reveal that widely used models such as GPT-3.5 and PolyCoder (specialized multi-lingual code models) exhibit notable performance degradation, when generating MPI-based programs compared to general-purpose programs. In contrast, domain-specific models such as MonoCoder, which are pretrained on MPI-related programming languages of C and C++, outperform larger models. Subsequently, we introduce a dedicated downstream task of MPI-based program generation by fine-tuning MonoCoder on HPCorpusMPI. We call the resulting model as MPIrigen. We propose an innovative preprocessing for completion only after observing the whole code, thus enabling better completion with a wider context. Comparative analysis against GPT-3.5 zero-shot performance, using a novel HPC-oriented evaluation method, demonstrates that MPIrigen excels in generating accurate MPI functions up to 0.8 accuracy in location and function predictions, and with more than 0.9 accuracy for argument predictions. The success of this tailored solution underscores the importance of domain-specific fine-tuning in optimizing language models for parallel computing code generation, paving the way for a new generation of automatic parallelization tools. The sources of this work are available at our GitHub MPIrigen repository: https://github.com/Scientific-Computing-Lab-NRCN/MPI-rigen

  • 13 authors
·
Feb 14, 2024 1

CodeBERTScore: Evaluating Code Generation with Pretrained Models of Code

Since the rise of neural models of code that can generate long expressions and statements rather than a single next-token, one of the major problems has been reliably evaluating their generated output. In this paper, we propose CodeBERTScore: an automatic evaluation metric for code generation, which builds on BERTScore (Zhang et al., 2020). Instead of measuring exact token matching as BLEU, CodeBERTScore computes a soft similarity score between each token in the generated code and in the reference code, using the contextual encodings of large pretrained models. Further, instead of encoding only the generated tokens as in BERTScore, CodeBERTScore also encodes the programmatic context surrounding the generated code. We perform an extensive evaluation of CodeBERTScore across four programming languages. We find that CodeBERTScore achieves a higher correlation with human preference and with functional correctness than all existing metrics. That is, generated code that receives a higher score by CodeBERTScore is more likely to be preferred by humans, as well as to function correctly when executed. Finally, while CodeBERTScore can be used with a multilingual CodeBERT as its base model, we release five language-specific pretrained models to use with our publicly available code at https://github.com/neulab/code-bert-score . Our language-specific models have been downloaded more than 25,000 times from the Huggingface Hub.

  • 4 authors
·
Feb 10, 2023

CoderEval: A Benchmark of Pragmatic Code Generation with Generative Pre-trained Models

Code generation models based on the pre-training and fine-tuning paradigm have been increasingly attempted by both academia and industry, resulting in well-known industrial models such as Codex, CodeGen, and PanGu-Coder. To evaluate the effectiveness of these models, multiple existing benchmarks are proposed, including only cases of generating a standalone function, i.e., a function that may invoke or access only built-in functions and standard libraries. However, non-standalone functions, which typically are not included in the existing benchmarks, constitute more than 70% of the functions in popular open-source projects, and evaluating models' effectiveness on standalone functions cannot reflect these models' effectiveness on pragmatic code generation scenarios. To help bridge the preceding gap, in this paper, we propose a benchmark named CoderEval, consisting of 230 Python and 230 Java code generation tasks carefully curated from popular real-world open-source projects and a self-contained execution platform to automatically assess the functional correctness of generated code. CoderEval supports code generation tasks from six levels of context dependency, where context refers to code elements such as types, APIs, variables, and consts defined outside the function under generation but within the dependent third-party libraries, current class, file, or project. CoderEval can be used to evaluate the effectiveness of models in generating code beyond only standalone functions. By evaluating three code generation models on CoderEval, we find that the effectiveness of these models in generating standalone functions is substantially higher than that in generating non-standalone functions. Our analysis highlights the current progress and pinpoints future directions to further improve a model's effectiveness by leveraging contextual information for pragmatic code generation.

  • 10 authors
·
Feb 1, 2023

ReCode: Robustness Evaluation of Code Generation Models

Code generation models have achieved impressive performance. However, they tend to be brittle as slight edits to a prompt could lead to very different generations; these robustness properties, critical for user experience when deployed in real-life applications, are not well understood. Most existing works on robustness in text or code tasks have focused on classification, while robustness in generation tasks is an uncharted area and to date there is no comprehensive benchmark for robustness in code generation. In this paper, we propose ReCode, a comprehensive robustness evaluation benchmark for code generation models. We customize over 30 transformations specifically for code on docstrings, function and variable names, code syntax, and code format. They are carefully designed to be natural in real-life coding practice, preserve the original semantic meaning, and thus provide multifaceted assessments of a model's robustness performance. With human annotators, we verified that over 90% of the perturbed prompts do not alter the semantic meaning of the original prompt. In addition, we define robustness metrics for code generation models considering the worst-case behavior under each type of perturbation, taking advantage of the fact that executing the generated code can serve as objective evaluation. We demonstrate ReCode on SOTA models using HumanEval, MBPP, as well as function completion tasks derived from them. Interesting observations include: better robustness for CodeGen over InCoder and GPT-J; models are most sensitive to syntax perturbations; more challenging robustness evaluation on MBPP over HumanEval.

  • 14 authors
·
Dec 20, 2022

Divide-and-Conquer Meets Consensus: Unleashing the Power of Functions in Code Generation

Despite recent progress made by large language models in code generation, they still struggle with programs that meet complex requirements. Recent work utilizes plan-and-solve decomposition to decrease the complexity and leverage self-tests to refine the generated program. Yet, planning deep-inside requirements in advance can be challenging, and the tests need to be accurate to accomplish self-improvement. To this end, we propose FunCoder, a code generation framework incorporating the divide-and-conquer strategy with functional consensus. Specifically, FunCoder recursively branches off sub-functions as smaller goals during code generation, represented by a tree hierarchy. These sub-functions are then composited to attain more complex objectives. Additionally, we designate functions via a consensus formed by identifying similarities in program behavior, mitigating error propagation. FunCoder outperforms state-of-the-art methods by +9.8% on average in HumanEval, MBPP, xCodeEval and MATH with GPT-3.5 and GPT-4. Moreover, our method demonstrates superiority on smaller models: With FunCoder, StableCode-3b surpasses GPT-3.5 by +18.6% and achieves 97.7% of GPT-4's performance on HumanEval. Further analysis reveals that our proposed dynamic function decomposition is capable of handling complex requirements, and the functional consensus prevails over self-testing in correctness evaluation.

  • 7 authors
·
May 30, 2024

An Exploratory Study on Fine-Tuning Large Language Models for Secure Code Generation

AI-powered coding assistants such as GitHub Copilot and OpenAI ChatGPT have achieved notable success in automating code generation. However, these tools rely on pre-trained Large Language Models (LLMs) that are typically trained on human-written code sourced from open-source project hosting sites like GitHub, which often contains inherent security vulnerabilities. These vulnerabilities may then be mirrored in the code generated by these LLMs, a critical risk revealed and highlighted by recent empirical studies. In this work, we present an exploratory study on whether fine-tuning pre-trained LLMs on datasets of vulnerability-fixing commits can promote secure code generation. We explored two parameter-efficient fine-tuning techniques (LoRa and IA3) on two pre-trained LLMs for code generation. We crawled a fine-tuning dataset (14,622 C and C++ files) for secure code generation by collecting code fixes of confirmed vulnerabilities from open-source repositories. Our evaluation dataset comprises 52 vulnerability scenarios designed to cover the top most dangerous C and C++ Common Weakness Enumerations (CWEs). Each scenario is a prompt that may induce LLMs to generate vulnerable code. Our exploration reveals that fine-tuning LLMs can improve secure code generation by 6.4% in C language and 5.4% in C++ language. We further experimented with fine-tuning LLMs using different versions of the collected secure code dataset (block, function, and line). We found that fine-tuning with function-level and block-level datasets achieves the best secure code generation performance, compared to the alternatives (file-level and line-level).

  • 6 authors
·
Aug 16, 2024

EpiCoder: Encompassing Diversity and Complexity in Code Generation

Effective instruction tuning is indispensable for optimizing code LLMs, aligning model behavior with user expectations and enhancing model performance in real-world applications. However, most existing methods focus on code snippets, which are limited to specific functionalities and rigid structures, restricting the complexity and diversity of the synthesized data. To address these limitations, we introduce a novel feature tree-based synthesis framework inspired by Abstract Syntax Trees (AST). Unlike AST, which captures syntactic structure of code, our framework models semantic relationships between code elements, enabling the generation of more nuanced and diverse data. The feature tree is constructed from raw data and refined iteratively to increase the quantity and diversity of the extracted features. This process enables the identification of more complex patterns and relationships within the code. By sampling subtrees with controlled depth and breadth, our framework allows precise adjustments to the complexity of the generated code, supporting a wide range of tasks from simple function-level operations to intricate multi-file scenarios. We fine-tuned widely-used base models to create the EpiCoder series, achieving state-of-the-art performance at both the function and file levels across multiple benchmarks. Notably, empirical evidence indicates that our approach shows significant potential in synthesizing highly complex repository-level code data. Further analysis elucidates the merits of this approach by rigorously assessing data complexity and diversity through software engineering principles and LLM-as-a-judge method.

  • 13 authors
·
Jan 8, 2025 2

FAIT: Fault-Aware Fine-Tuning for Better Code Generation

Modern instruction-tuned large language models (LLMs) have made remarkable progress in code generation. However, these LLMs fine-tuned with standard supervised fine-tuning (SFT) sometimes generate plausible-looking but functionally incorrect code variants. This issue likely stems from the limitation of standard SFT, which treats all tokens equally during optimization and fails to emphasize the error-sensitive segments-specific code differences between correct implementations and similar incorrect variants. To address this problem, we propose Fault-Aware Fine-Tuning (FAIT), a novel fine-tuning technique that enhances LLMs' code generation by (1) extracting multi-granularity (line/token-level) differences between correct and incorrect yet similar implementations to identify error-sensitive segments, and (2) dynamically prioritizing those segments during training via dynamic loss weighting. Through extensive experiments on seven LLMs across three widely-used benchmarks, our method achieves an average relative improvement of 6.9% on pass@1 with just one epoch of training, with some enhanced 6.7B LLMs outperforming closed-source models, e.g., GPT-3.5-Turbo. Furthermore, our fine-tuning technique demonstrates strong generalization with performance improvements ranging from 3.8% to 19.1% across diverse instruction-tuned LLMs, and our ablation studies confirm the contributions of different granularities of differences and loss function components.

  • 6 authors
·
Mar 21, 2025

CodeIF: Benchmarking the Instruction-Following Capabilities of Large Language Models for Code Generation

With the rapid advancement of Large Language Models (LLMs), the demand for robust instruction-following capabilities in code generation tasks has grown significantly. Code generation not only facilitates faster prototyping and automated testing, but also augments developer efficiency through improved maintainability and reusability of code. In this paper, we introduce CodeIF, the first benchmark specifically designed to assess the abilities of LLMs to adhere to task-oriented instructions within diverse code generation scenarios. CodeIF encompasses a broad range of tasks, including function synthesis, error debugging, algorithmic refactoring, and code explanation, thereby providing a comprehensive suite to evaluate model performance across varying complexity levels and programming domains. We conduct extensive experiments with LLMs, analyzing their strengths and limitations in meeting the demands of these tasks. The experimental results offer valuable insights into how well current models align with human instructions, as well as the extent to which they can generate consistent, maintainable, and contextually relevant code. Our findings not only underscore the critical role that instruction-following LLMs can play in modern software development, but also illuminate pathways for future research aimed at enhancing their adaptability, reliability, and overall effectiveness in automated code generation.

  • 6 authors
·
Feb 26, 2025

Planning In Natural Language Improves LLM Search For Code Generation

While scaling training compute has led to remarkable improvements in large language models (LLMs), scaling inference compute has not yet yielded analogous gains. We hypothesize that a core missing component is a lack of diverse LLM outputs, leading to inefficient search due to models repeatedly sampling highly similar, yet incorrect generations. We empirically demonstrate that this lack of diversity can be mitigated by searching over candidate plans for solving a problem in natural language. Based on this insight, we propose PLANSEARCH, a novel search algorithm which shows strong results across HumanEval+, MBPP+, and LiveCodeBench (a contamination-free benchmark for competitive coding). PLANSEARCH generates a diverse set of observations about the problem and then uses these observations to construct plans for solving the problem. By searching over plans in natural language rather than directly over code solutions, PLANSEARCH explores a significantly more diverse range of potential solutions compared to baseline search methods. Using PLANSEARCH on top of Claude 3.5 Sonnet achieves a state-of-the-art pass@200 of 77.0% on LiveCodeBench, outperforming both the best score achieved without search (pass@1 = 41.4%) and using standard repeated sampling (pass@200 = 60.6%). Finally, we show that, across all models, search algorithms, and benchmarks analyzed, we can accurately predict performance gains due to search as a direct function of the diversity over generated ideas.

  • 10 authors
·
Sep 5, 2024 1

GeoJSEval: An Automated Evaluation Framework for Large Language Models on JavaScript-Based Geospatial Computation and Visualization Code Generation

With the widespread adoption of large language models (LLMs) in code generation tasks, geospatial code generation has emerged as a critical frontier in the integration of artificial intelligence and geoscientific analysis. This trend underscores the urgent need for systematic evaluation methodologies to assess LLMs generation capabilities in geospatial contexts. In particular, geospatial computation and visualization tasks in JavaScript environments rely heavily on orchestrating diverse frontend libraries and ecosystems, placing elevated demands on a model's semantic understanding and code synthesis abilities. To address this challenge, we propose GeoJSEval--the first multimodal, function-level automatic evaluation framework for LLMs in JavaScript-based geospatial code generation. GeoJSEval comprises three core components: a standardized test suite (GeoJSEval-Bench), a code submission engine, and an evaluation module. It includes 432 function-level tasks and 2,071 structured test cases spanning five widely used JavaScript geospatial libraries and 25 mainstream geospatial data types. GeoJSEval enables multidimensional quantitative evaluation across metrics such as accuracy, output stability, execution efficiency, resource consumption, and error type distribution, and integrates boundary testing mechanisms to enhance robustness and coverage. We conduct a comprehensive evaluation of 18 state-of-the-art LLMs using GeoJSEval, revealing significant performance disparities and bottlenecks in spatial semantic understanding, code reliability, and function invocation accuracy. GeoJSEval provides a foundational methodology, evaluation resource, and practical toolkit for the standardized assessment and optimization of geospatial code generation models, with strong extensibility and applicability in real-world scenarios.

  • 9 authors
·
Jul 28, 2025

RPG: A Repository Planning Graph for Unified and Scalable Codebase Generation

Large language models excel at function- and file-level code generation, yet generating complete repositories from scratch remains a fundamental challenge. This process demands coherent and reliable planning across proposal- and implementation-level stages, while natural language, due to its ambiguity and verbosity, is ill-suited for faithfully representing complex software structures. To address this, we introduce the Repository Planning Graph (RPG), a persistent representation that unifies proposal- and implementation-level planning by encoding capabilities, file structures, data flows, and functions in one graph. RPG replaces ambiguous natural language with an explicit blueprint, enabling long-horizon planning and scalable repository generation. Building on RPG, we develop ZeroRepo, a graph-driven framework for repository generation from scratch. It operates in three stages: proposal-level planning and implementation-level refinement to construct the graph, followed by graph-guided code generation with test validation. To evaluate this setting, we construct RepoCraft, a benchmark of six real-world projects with 1,052 tasks. On RepoCraft, ZeroRepo produces repositories averaging nearly 36K LOC, roughly 3.9times the strongest baseline (Claude Code) and about 64times other baselines. It attains 81.5% functional coverage and a 69.7% pass rate, exceeding Claude Code by 27.3 and 35.8 percentage points, respectively. Further analysis shows that RPG models complex dependencies, enables progressively more sophisticated planning through near-linear scaling, and enhances LLM understanding of repositories, thereby accelerating agent localization.

  • 14 authors
·
Sep 19, 2025 21

RepoMasterEval: Evaluating Code Completion via Real-World Repositories

With the growing reliance on automated code completion tools in software development, the need for robust evaluation benchmarks has become critical. However, existing benchmarks focus more on code generation tasks in function and class level and provide rich text description to prompt the model. By contrast, such descriptive prompt is commonly unavailable in real development and code completion can occur in wider range of situations such as in the middle of a function or a code block. These limitations makes the evaluation poorly align with the practical scenarios of code completion tools. In this paper, we propose RepoMasterEval, a novel benchmark for evaluating code completion models constructed from real-world Python and TypeScript repositories. Each benchmark datum is generated by masking a code snippet (ground truth) from one source code file with existing test suites. To improve test accuracy of model generated code, we employ mutation testing to measure the effectiveness of the test cases and we manually crafted new test cases for those test suites with low mutation score. Our empirical evaluation on 6 state-of-the-art models shows that test argumentation is critical in improving the accuracy of the benchmark and RepoMasterEval is able to report difference in model performance in real-world scenarios. The deployment of RepoMasterEval in a collaborated company for one month also revealed that the benchmark is useful to give accurate feedback during model training and the score is in high correlation with the model's performance in practice. Based on our findings, we call for the software engineering community to build more LLM benchmarks tailored for code generation tools taking the practical and complex development environment into consideration.

  • 12 authors
·
Aug 6, 2024

If LLM Is the Wizard, Then Code Is the Wand: A Survey on How Code Empowers Large Language Models to Serve as Intelligent Agents

The prominent large language models (LLMs) of today differ from past language models not only in size, but also in the fact that they are trained on a combination of natural language and formal language (code). As a medium between humans and computers, code translates high-level goals into executable steps, featuring standard syntax, logical consistency, abstraction, and modularity. In this survey, we present an overview of the various benefits of integrating code into LLMs' training data. Specifically, beyond enhancing LLMs in code generation, we observe that these unique properties of code help (i) unlock the reasoning ability of LLMs, enabling their applications to a range of more complex natural language tasks; (ii) steer LLMs to produce structured and precise intermediate steps, which can then be connected to external execution ends through function calls; and (iii) take advantage of code compilation and execution environment, which also provides diverse feedback for model improvement. In addition, we trace how these profound capabilities of LLMs, brought by code, have led to their emergence as intelligent agents (IAs) in situations where the ability to understand instructions, decompose goals, plan and execute actions, and refine from feedback are crucial to their success on downstream tasks. Finally, we present several key challenges and future directions of empowering LLMs with code.

  • 12 authors
·
Jan 1, 2024 1

DiscoveryBench: Towards Data-Driven Discovery with Large Language Models

Can the rapid advances in code generation, function calling, and data analysis using large language models (LLMs) help automate the search and verification of hypotheses purely from a set of provided datasets? To evaluate this question, we present DiscoveryBench, the first comprehensive benchmark that formalizes the multi-step process of data-driven discovery. The benchmark is designed to systematically assess current model capabilities in discovery tasks and provide a useful resource for improving them. Our benchmark contains 264 tasks collected across 6 diverse domains, such as sociology and engineering, by manually deriving discovery workflows from published papers to approximate the real-world challenges faced by researchers, where each task is defined by a dataset, its metadata, and a discovery goal in natural language. We additionally provide 903 synthetic tasks to conduct controlled evaluations across task complexity. Furthermore, our structured formalism of data-driven discovery enables a facet-based evaluation that provides useful insights into different failure modes. We evaluate several popular LLM-based reasoning frameworks using both open and closed LLMs as baselines on DiscoveryBench and find that even the best system scores only 25%. Our benchmark, thus, illustrates the challenges in autonomous data-driven discovery and serves as a valuable resource for the community to make progress.

  • 10 authors
·
Jul 1, 2024

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

RedCode: Risky Code Execution and Generation Benchmark for Code Agents

With the rapidly increasing capabilities and adoption of code agents for AI-assisted coding, safety concerns, such as generating or executing risky code, have become significant barriers to the real-world deployment of these agents. To provide comprehensive and practical evaluations on the safety of code agents, we propose RedCode, a benchmark for risky code execution and generation: (1) RedCode-Exec provides challenging prompts that could lead to risky code execution, aiming to evaluate code agents' ability to recognize and handle unsafe code. We provide a total of 4,050 risky test cases in Python and Bash tasks with diverse input formats including code snippets and natural text. They covers 25 types of critical vulnerabilities spanning 8 domains (e.g., websites, file systems). We provide Docker environments and design corresponding evaluation metrics to assess their execution results. (2) RedCode-Gen provides 160 prompts with function signatures and docstrings as input to assess whether code agents will follow instructions to generate harmful code or software. Our empirical findings, derived from evaluating three agent frameworks based on 19 LLMs, provide insights into code agents' vulnerabilities. For instance, evaluations on RedCode-Exec show that agents are more likely to reject executing risky operations on the operating system, but are less likely to reject executing technically buggy code, indicating high risks. Risky operations described in natural text lead to a lower rejection rate than those in code format. Additionally, evaluations on RedCode-Gen show that more capable base models and agents with stronger overall coding abilities, such as GPT4, tend to produce more sophisticated and effective harmful software. Our findings highlight the need for stringent safety evaluations for diverse code agents. Our dataset and code are available at https://github.com/AI-secure/RedCode.

  • 8 authors
·
Nov 12, 2024 1

Prompting and Fine-tuning Large Language Models for Automated Code Review Comment Generation

Generating accurate code review comments remains a significant challenge due to the inherently diverse and non-unique nature of the task output. Large language models pretrained on both programming and natural language data tend to perform well in code-oriented tasks. However, large-scale pretraining is not always feasible due to its environmental impact and project-specific generalizability issues. In this work, first we fine-tune open-source Large language models (LLM) in parameter-efficient, quantized low-rank (QLoRA) fashion on consumer-grade hardware to improve review comment generation. Recent studies demonstrate the efficacy of augmenting semantic metadata information into prompts to boost performance in other code-related tasks. To explore this in code review activities, we also prompt proprietary, closed-source LLMs augmenting the input code patch with function call graphs and code summaries. Both of our strategies improve the review comment generation performance, with function call graph augmented few-shot prompting on the GPT-3.5 model surpassing the pretrained baseline by around 90% BLEU-4 score on the CodeReviewer dataset. Moreover, few-shot prompted Gemini-1.0 Pro, QLoRA fine-tuned Code Llama and Llama 3.1 models achieve competitive results (ranging from 25% to 83% performance improvement) on this task. An additional human evaluation study further validates our experimental findings, reflecting real-world developers' perceptions of LLM-generated code review comments based on relevant qualitative metrics.

  • 5 authors
·
Nov 15, 2024

XGrammar: Flexible and Efficient Structured Generation Engine for Large Language Models

The applications of LLM Agents are becoming increasingly complex and diverse, leading to a high demand for structured outputs that can be parsed into code, structured function calls, and embodied agent commands. These developments bring significant demands for structured generation in LLM inference. Context-free grammar is a flexible approach to enable structured generation via constrained decoding. However, executing context-free grammar requires going through several stack states over all tokens in vocabulary during runtime, bringing non-negligible overhead for structured generation. In this paper, we propose XGrammar, a flexible and efficient structure generation engine for large language models. XGrammar accelerates context-free grammar execution by dividing the vocabulary into context-independent tokens that can be prechecked and context-dependent tokens that need to be interpreted during runtime. We further build transformations to expand the grammar context and reduce the number of context-independent tokens. Additionally, we build an efficient persistent stack to accelerate the context-dependent token checks. Finally, we co-design the grammar engine with LLM inference engine to overlap grammar computation with GPU executions. Evaluation results show that XGrammar can achieve up to 100x speedup over existing solutions. Combined with an LLM inference engine, it can generate near-zero overhead structure generation in end-to-end low-LLM serving.

  • 7 authors
·
Nov 22, 2024

Prot2Text: Multimodal Protein's Function Generation with GNNs and Transformers

The complex nature of big biological systems pushed some scientists to classify its understanding under the inconceivable missions. Different leveled challenges complicated this task, one of is the prediction of a protein's function. In recent years, significant progress has been made in this field through the development of various machine learning approaches. However, most existing methods formulate the task as a multi-classification problem, i.e assigning predefined labels to proteins. In this work, we propose a novel approach, Prot2Text, which predicts a protein function's in a free text style, moving beyond the conventional binary or categorical classifications. By combining Graph Neural Networks(GNNs) and Large Language Models(LLMs), in an encoder-decoder framework, our model effectively integrates diverse data types including proteins' sequences, structures, and textual annotations. This multimodal approach allows for a holistic representation of proteins' functions, enabling the generation of detailed and accurate descriptions. To evaluate our model, we extracted a multimodal protein dataset from SwissProt, and demonstrate empirically the effectiveness of Prot2Text. These results highlight the transformative impact of multimodal models, specifically the fusion of GNNs and LLMs, empowering researchers with powerful tools for more accurate prediction of proteins' functions. The code, the models and a demo will be publicly released.

  • 4 authors
·
Jul 25, 2023

ComplexVCoder: An LLM-Driven Framework for Systematic Generation of Complex Verilog Code

Recent advances have demonstrated the promising capabilities of large language models (LLMs) in generating register-transfer level (RTL) code, such as Verilog. However, existing LLM-based frameworks still face significant challenges in accurately handling the complexity of real-world RTL designs, particularly those that are large-scale and involve multi-level module instantiations. To address this issue, we present ComplexVCoder, an open-source LLM-driven framework that enhances both the generation quality and efficiency of complex Verilog code. Specifically, we introduce a two-stage generation mechanism, which leverages an intermediate representation to enable a more accurate and structured transition from natural language descriptions to intricate Verilog designs. In addition, we introduce a rule-based alignment method and a domain-specific retrieval-augmented generation (RAG) to further improve the correctness of the synthesized code by incorporating relevant design knowledge during generation. To evaluate our approach, we construct a comprehensive dataset comprising 55 complex Verilog designs derived from real-world implementations. We also release an open-source benchmark suite for systematically assessing the quality of auto-generated RTL code together with the ComplexVCoder framework. Experimental results show that ComplexVCoder outperforms SOTA frameworks such as CodeV and RTLCoder by 14.6% and 22.2%, respectively, in terms of function correctness on complex Verilog benchmarks. Furthermore, ComplexVcoder achieves comparable generation performances in terms of functionality correctness using a lightweight 32B model (Qwen2.5), rivaling larger-scale models such as GPT-3.5 and DeepSeek-V3.

  • 10 authors
·
Apr 29, 2025

Programmable Motion Generation for Open-Set Motion Control Tasks

Character animation in real-world scenarios necessitates a variety of constraints, such as trajectories, key-frames, interactions, etc. Existing methodologies typically treat single or a finite set of these constraint(s) as separate control tasks. They are often specialized, and the tasks they address are rarely extendable or customizable. We categorize these as solutions to the close-set motion control problem. In response to the complexity of practical motion control, we propose and attempt to solve the open-set motion control problem. This problem is characterized by an open and fully customizable set of motion control tasks. To address this, we introduce a new paradigm, programmable motion generation. In this paradigm, any given motion control task is broken down into a combination of atomic constraints. These constraints are then programmed into an error function that quantifies the degree to which a motion sequence adheres to them. We utilize a pre-trained motion generation model and optimize its latent code to minimize the error function of the generated motion. Consequently, the generated motion not only inherits the prior of the generative model but also satisfies the required constraints. Experiments show that we can generate high-quality motions when addressing a wide range of unseen tasks. These tasks encompass motion control by motion dynamics, geometric constraints, physical laws, interactions with scenes, objects or the character own body parts, etc. All of these are achieved in a unified approach, without the need for ad-hoc paired training data collection or specialized network designs. During the programming of novel tasks, we observed the emergence of new skills beyond those of the prior model. With the assistance of large language models, we also achieved automatic programming. We hope that this work will pave the way for the motion control of general AI agents.

  • 5 authors
·
May 29, 2024

Exploring Superior Function Calls via Reinforcement Learning

Function calling capabilities are crucial for deploying Large Language Models in real-world applications, yet current training approaches fail to develop robust reasoning strategies. Supervised fine-tuning produces models that rely on superficial pattern matching, while standard reinforcement learning methods struggle with the complex action space of structured function calls. We present a novel reinforcement learning framework designed to enhance group relative policy optimization through strategic entropy based exploration specifically tailored for function calling tasks. Our approach addresses three critical challenges in function calling: insufficient exploration during policy learning, lack of structured reasoning in chain-of-thought generation, and inadequate verification of parameter extraction. Our two-stage data preparation pipeline ensures high-quality training samples through iterative LLM evaluation and abstract syntax tree validation. Extensive experiments on the Berkeley Function Calling Leaderboard demonstrate that this framework achieves state-of-the-art performance among open-source models with 86.02\% overall accuracy, outperforming standard GRPO by up to 6\% on complex multi-function scenarios. Notably, our method shows particularly strong improvements on code-pretrained models, suggesting that structured language generation capabilities provide an advantageous starting point for reinforcement learning in function calling tasks. We will release all the code, models and dataset to benefit the community.

  • 7 authors
·
Aug 7, 2025

Teaching Code LLMs to Use Autocompletion Tools in Repository-Level Code Generation

Recent code large language models (LLMs) have shown promising performance in generating standalone functions but face limitations in repository-level code generation due to their lack of awareness of repository-level dependencies (e.g., user-defined attributes), resulting in dependency errors such as undefined-variable and no-member errors. In this work, we introduce ToolGen, an approach that integrates autocompletion tools into the code LLM generation process to address these dependencies. ToolGen comprises two main phases: Trigger Insertion and Model Fine-tuning (Offline), and Tool-integrated Code Generation (Online). During the offline phase, ToolGen augments functions within a given code corpus with a special mark token, indicating positions to trigger autocompletion tools. These augmented functions, along with their corresponding docstrings, are then used to fine-tune a selected code LLM. In the online phase, ToolGen iteratively generates functions by predicting tokens step-by-step using the fine-tuned LLM. Whenever a mark token is encountered, ToolGen invokes the autocompletion tool to suggest code completions and selects the most appropriate one. We conduct comprehensive experiments to evaluate ToolGen's effectiveness in repository-level code generation. To facilitate this evaluation, we create a benchmark comprising 680 real-world code repositories and introduce two new repository-level metrics: Dependency Coverage and Static Validity Rate. The results demonstrate that ToolGen significantly improves Dependency Coverage by 15.2% to 45.8% and Static Validity Rate by 10.9% to 42.2% across three distinct code LLMs, while maintaining competitive performance in widely-recognized similarity metrics. Furthermore, our generalizability evaluation confirms ToolGen's consistent performance when applied to diverse code LLMs, including various model architectures and scales.

  • 7 authors
·
Jan 12, 2024

Bridging Code Semantic and LLMs: Semantic Chain-of-Thought Prompting for Code Generation

Large language models (LLMs) have showcased remarkable prowess in code generation. However, automated code generation is still challenging since it requires a high-level semantic mapping between natural language requirements and codes. Most existing LLMs-based approaches for code generation rely on decoder-only causal language models often treate codes merely as plain text tokens, i.e., feeding the requirements as a prompt input, and outputing code as flat sequence of tokens, potentially missing the rich semantic features inherent in source code. To bridge this gap, this paper proposes the "Semantic Chain-of-Thought" approach to intruduce semantic information of code, named SeCoT. Our motivation is that the semantic information of the source code (\eg data flow and control flow) describes more precise program execution behavior, intention and function. By guiding LLM consider and integrate semantic information, we can achieve a more granular understanding and representation of code, enhancing code generation accuracy. Meanwhile, while traditional techniques leveraging such semantic information require complex static or dynamic code analysis to obtain features such as data flow and control flow, SeCoT demonstrates that this process can be fully automated via the intrinsic capabilities of LLMs (i.e., in-context learning), while being generalizable and applicable to challenging domains. While SeCoT can be applied with different LLMs, this paper focuses on the powerful GPT-style models: ChatGPT(close-source model) and WizardCoder(open-source model). The experimental study on three popular DL benchmarks (i.e., HumanEval, HumanEval-ET and MBPP) shows that SeCoT can achieves state-of-the-art performance, greatly improving the potential for large models and code generation.

  • 8 authors
·
Oct 16, 2023

TENET: Leveraging Tests Beyond Validation for Code Generation

Test-Driven Development (TDD) is a widely adopted software engineering practice that requires developers to create and execute tests alongside code implementation, ensuring that software behavior is continuously validated and refined. In the era of vibe coding, where developers increasingly delegate code writing to large language models (LLMs) by specifying high-level intentions, TDD becomes even more crucial, as test cases serve as executable specifications that explicitly define and verify intended functionality beyond what natural-language descriptions and code context can convey. While vibe coding under TDD is promising, there are three main challenges: (1) selecting a small yet effective test suite to improve the generation accuracy and control the execution workload, (2) retrieving context such as relevant code effectively, and (3) systematically using test feedback for effective code refinement. To address these challenges, we introduce TENET, an LLM agent for generating functions in complex real-world repositories under the TDD setting. TENET features three components: (1) a novel test harness mechanism that selects a concise test suite to maximize diversity of target usage scenarios; (2) a tailored agent toolset that performs efficient retrieval of relevant code with interactive debugging; and (3) a reflection-based refinement workflow that iteratively analyzes failures, replenishes context, and applies code refinement. TENET achieves 69.08% and 81.77% Pass@1 on RepoCod and RepoEval benchmarks, outperforming the best agentic baselines by 9.49 and 2.17 percentage points, respectively. In addition, this is the first study of test-driven code generation with repository-level context, examining how different aspects of test suites affect the performance of LLM agents under the TDD setting.

FEM-Bench: A Structured Scientific Reasoning Benchmark for Evaluating Code-Generating LLMs

As LLMs advance their reasoning capabilities about the physical world, the absence of rigorous benchmarks for evaluating their ability to generate scientifically valid physical models has become a critical gap. Computational mechanics, which develops and applies mathematical models and numerical methods to predict the behavior of physical systems under forces, deformation, and constraints, provides an ideal foundation for structured scientific reasoning evaluation. Problems follow clear mathematical structure, enforce strict physical and numerical constraints, and support objective verification. The discipline requires constructing explicit models of physical systems and reasoning about geometry, spatial relationships, and material behavior, connecting directly to emerging AI goals in physical reasoning and world modeling. We introduce FEM-Bench, a computational mechanics benchmark designed to evaluate the ability of LLMs to generate correct finite element method (FEM) and related code. FEM-Bench 2025 contains a suite of introductory but nontrivial tasks aligned with material from a first graduate course on computational mechanics. These tasks capture essential numerical and physical modeling challenges while representing only a small fraction of the complexity present in the discipline. Despite their simplicity, state-of-the-art LLMs do not reliably solve all of them. In a five attempt run, the best performing model at function writing, Gemini 3 Pro, completed 30/33 tasks at least once and 26/33 tasks all five times. The best performing model at unit test writing, GPT-5, had an Average Joint Success Rate of 73.8%. Other popular models showed broad performance variation. FEM-Bench establishes a structured foundation for evaluating AI-generated scientific code, and future iterations will incorporate increasingly sophisticated tasks to track progress as models evolve.

  • 4 authors
·
Dec 23, 2025

A Survey on Large Language Models with some Insights on their Capabilities and Limitations

The rapid advancement of artificial intelligence, particularly with the development of Large Language Models (LLMs) built on the transformer architecture, has redefined the capabilities of natural language processing. These models now exhibit remarkable performance across various language-related tasks, such as text generation, question answering, translation, and summarization, often rivaling human-like comprehension. More intriguingly, LLMs have demonstrated emergent abilities extending beyond their core functions, showing proficiency in tasks like commonsense reasoning, code generation, and arithmetic. This survey paper explores the foundational components, scaling mechanisms, and architectural strategies that drive these capabilities. Emphasizing models like GPT and LLaMA, we analyze the impact of exponential data and computational growth on LLM performance, while also addressing the trade-offs associated with scaling. We also examine LLM applications across sectors, such as healthcare, finance, education, and law, highlighting their adaptability and potential to solve domain-specific challenges. Central to this work are the questions of how LLMs generalize across diverse tasks, exhibit planning, and reasoning abilities, and whether these emergent abilities can be systematically elicited or enhanced. In particular, we provide some insights into the CoT (Chain of Thought) and PoT (Plan of Thought) abilities within LLMs, focusing on how pre-training data influences their emergence. Additionally, we investigate LLM-modulo frameworks that integrate external systems, allowing LLMs to handle complex, dynamic tasks. By analyzing these factors, this paper aims to foster the ongoing discussion on the capabilities and limits of LLMs, promoting their responsible development and application in novel and increasingly complex environments.

  • 2 authors
·
Jan 3, 2025

Generating $π$-Functional Molecules Using STGG+ with Active Learning

Generating novel molecules with out-of-distribution properties is a major challenge in molecular discovery. While supervised learning methods generate high-quality molecules similar to those in a dataset, they struggle to generalize to out-of-distribution properties. Reinforcement learning can explore new chemical spaces but often conducts 'reward-hacking' and generates non-synthesizable molecules. In this work, we address this problem by integrating a state-of-the-art supervised learning method, STGG+, in an active learning loop. Our approach iteratively generates, evaluates, and fine-tunes STGG+ to continuously expand its knowledge. We denote this approach STGG+AL. We apply STGG+AL to the design of organic pi-functional materials, specifically two challenging tasks: 1) generating highly absorptive molecules characterized by high oscillator strength and 2) designing absorptive molecules with reasonable oscillator strength in the near-infrared (NIR) range. The generated molecules are validated and rationalized in-silico with time-dependent density functional theory. Our results demonstrate that our method is highly effective in generating novel molecules with high oscillator strength, contrary to existing methods such as reinforcement learning (RL) methods. We open-source our active-learning code along with our Conjugated-xTB dataset containing 2.9 million pi-conjugated molecules and the function for approximating the oscillator strength and absorption wavelength (based on sTDA-xTB).

  • 5 authors
·
Feb 20, 2025 2

An Empirical Evaluation of Using Large Language Models for Automated Unit Test Generation

Unit tests play a key role in ensuring the correctness of software. However, manually creating unit tests is a laborious task, motivating the need for automation. Large Language Models (LLMs) have recently been applied to this problem, utilizing additional training or few-shot learning on examples of existing tests. This paper presents a large-scale empirical evaluation on the effectiveness of LLMs for automated unit test generation without additional training or manual effort, providing the LLM with the signature and implementation of the function under test, along with usage examples extracted from documentation. We also attempt to repair failed generated tests by re-prompting the model with the failing test and error message. We implement our approach in TestPilot, a test generation tool for JavaScript that automatically generates unit tests for all API functions in an npm package. We evaluate TestPilot using OpenAI's gpt3.5-turbo LLM on 25 npm packages with a total of 1,684 API functions. The generated tests achieve a median statement coverage of 70.2% and branch coverage of 52.8%, significantly improving on Nessie, a recent feedback-directed JavaScript test generation technique, which achieves only 51.3% statement coverage and 25.6% branch coverage. We also find that 92.8% of TestPilot's generated tests have no more than 50% similarity with existing tests (as measured by normalized edit distance), with none of them being exact copies. Finally, we run TestPilot with two additional LLMs, OpenAI's older code-cushman-002 LLM and the open LLM StarCoder. Overall, we observed similar results with the former (68.2% median statement coverage), and somewhat worse results with the latter (54.0% median statement coverage), suggesting that the effectiveness of the approach is influenced by the size and training set of the LLM, but does not fundamentally depend on the specific model.

  • 4 authors
·
Feb 13, 2023

LL3M: Large Language 3D Modelers

We present LL3M, a multi-agent system that leverages pretrained large language models (LLMs) to generate 3D assets by writing interpretable Python code in Blender. We break away from the typical generative approach that learns from a collection of 3D data. Instead, we reformulate shape generation as a code-writing task, enabling greater modularity, editability, and integration with artist workflows. Given a text prompt, LL3M coordinates a team of specialized LLM agents to plan, retrieve, write, debug, and refine Blender scripts that generate and edit geometry and appearance. The generated code works as a high-level, interpretable, human-readable, well-documented representation of scenes and objects, making full use of sophisticated Blender constructs (e.g. B-meshes, geometry modifiers, shader nodes) for diverse, unconstrained shapes, materials, and scenes. This code presents many avenues for further agent and human editing and experimentation via code tweaks or procedural parameters. This medium naturally enables a co-creative loop in our system: agents can automatically self-critique using code and visuals, while iterative user instructions provide an intuitive way to refine assets. A shared code context across agents enables awareness of previous attempts, and a retrieval-augmented generation knowledge base built from Blender API documentation, BlenderRAG, equips agents with examples, types, and functions empowering advanced modeling operations and code correctness. We demonstrate the effectiveness of LL3M across diverse shape categories, style and material edits, and user-driven refinements. Our experiments showcase the power of code as a generative and interpretable medium for 3D asset creation. Our project page is at https://threedle.github.io/ll3m.

  • 6 authors
·
Aug 11, 2025 1

AutoNumerics-Zero: Automated Discovery of State-of-the-Art Mathematical Functions

Computers calculate transcendental functions by approximating them through the composition of a few limited-precision instructions. For example, an exponential can be calculated with a Taylor series. These approximation methods were developed over the centuries by mathematicians, who emphasized the attainability of arbitrary precision. Computers, however, operate on few limited precision types, such as the popular float32. In this study, we show that when aiming for limited precision, existing approximation methods can be outperformed by programs automatically discovered from scratch by a simple evolutionary algorithm. In particular, over real numbers, our method can approximate the exponential function reaching orders of magnitude more precision for a given number of operations when compared to previous approaches. More practically, over float32 numbers and constrained to less than 1 ULP of error, the same method attains a speedup over baselines by generating code that triggers better XLA/LLVM compilation paths. In other words, in both cases, evolution searched a vast space of possible programs, without knowledge of mathematics, to discover previously unknown optimized approximations to high precision, for the first time. We also give evidence that these results extend beyond the exponential. The ubiquity of transcendental functions suggests that our method has the potential to reduce the cost of scientific computing applications.

  • 10 authors
·
Dec 13, 2023

CRAFT: Customizing LLMs by Creating and Retrieving from Specialized Toolsets

Large language models (LLMs) are often augmented with tools to solve complex tasks. By generating code snippets and executing them through task-specific Application Programming Interfaces (APIs), they can offload certain functions to dedicated external modules, such as image encoding and performing calculations. However, most existing approaches to augment LLMs with tools are constrained by general-purpose APIs and lack the flexibility for tailoring them to specific tasks. In this work, we present CRAFT, a general tool creation and retrieval framework for LLMs. It creates toolsets specifically curated for the tasks and equips LLMs with a component that retrieves tools from these sets to enhance their capability to solve complex tasks. For each task, we collect specific code solutions by prompting GPT-4 to solve the training examples. Following a validation step ensuring the correctness, these solutions are abstracted into code snippets to enhance reusability, and deduplicated for higher quality. At inference time, the language model retrieves snippets from the toolsets and then executes them or generates the output conditioning on the retrieved snippets. Our method is designed to be flexible and offers a plug-and-play approach to adapt off-the-shelf LLMs to unseen domains and modalities, without any finetuning. Experiments on vision-language, tabular processing, and mathematical reasoning tasks show that our approach achieves substantial improvements compared to strong baselines. In addition, our in-depth analysis reveals that: (1) consistent performance improvement can be achieved by scaling up the number of tools and the capability of the backbone models; (2) each component of our approach contributes to the performance gains; (3) the created tools are well-structured and reliable with low complexity and atomicity. The code is available at https://github.com/lifan-yuan/CRAFT.

  • 6 authors
·
Sep 29, 2023