SciWalker: Synthesizing Scientific Coding Problems with Operator Graphs and Execution Feedback

Existing multi-agent Large Language Model (LLM) frameworks for code generation typically use execution feedback and improve iteratively using Input/Output (I/O) test cases. However, this does not work for scientific workflows, where I/O test cases do not exist, and generating them requires solving the very problem at hand. To address this, we introduce MOSAIC, a training-free multi-agent framework for scientific code generation without I/O supervision. Instead of execution feedback, MOSAIC employs a student-teacher knowledge distillation framework that grounds generation through domain-specific examples and structured problem decomposition. To further mitigate hallucinations across chained subproblems, we introduce a Consolidated Context Window (CCW) for maintaining consistent reasoning across agents. Experiments on the SciCode benchmark show that MOSAIC improves accuracy, executability, and numerical precision over existing approaches while relying on lightweight models.

Large language models (LLMs) excel at general-purpose code generation, yet how well they handle scientific code remains an open question. Existing datasets and benchmarks are limited in scale, domain coverage, or executable verification, leaving the true gap between current LLMs and reliable scientific code generators inadequately assessed. To address these limitations, we present SciCodePile, the largest scientific code corpus to date, constructed from 37,737 public repositories and collectively comprising 128GB of code that spans multiple computational science disciplines. From this corpus, we further curate an executable benchmark of 200 tasks, each equipped with a sandboxed execution environment and an automated test harness for functional verification. We evaluate 15 LLMs from both open-source and closed-source families on three tasks: prefix-to-suffix completion, fill-in-the-middle infilling, and executable code generation. Results show that scientific code generation remains highly challenging: The best CodeBLEU reaches only 38.13 and 38.37 on the two completion tasks, while the strongest model achieves just 12.30% Pass@1 on the executable benchmark, underscoring how far current models remain from reliable scientific code generation. To demonstrate the training utility of SciCodePile, we further show that continued pretraining on our corpus improves CodeBLEU by $\times$2.84 on scientific code completion, and instruction tuning on our data improves Pass@1 by $\times$4.79 on the executable benchmark. All code and data are available at https://huggingface.co/SciCodePile.

Many real-world coding challenges are open-ended and admit no known optimal solution. Yet, recent progress in LLM coding has focused on well-defined tasks such as feature implementation, bug fixing, and competitive programming. Open-ended coding remains a weak spot for LLMs, largely because open-ended training problems are scarce and expensive to construct. Our goal is to synthesize open-ended coding problems at scale to train stronger LLM coders. We introduce FrontierSmith, an automated system for iteratively evolving open-ended problems from existing closed-ended coding tasks. Starting from competitive programming problems, FrontierSmith generates candidate open-ended variants by changing the problems'goals, restricting outputs, and generalizing inputs. It then uses a quantitative idea divergence metric to select problems that elicit genuinely diverse approaches from different solvers. Agents then generate test cases and verifiers for the surviving candidates. On two open-ended coding benchmarks, training on our synthesized data yields substantial gains over the base models: Qwen3.5-9B improves by +8.82 score on FrontierCS and +306.36 (Elo-rating-based performance) on ALE-bench; Qwen3.5-27B improves by +12.12 and +309.12, respectively. The synthesized problems also make agents take more turns and use more tokens, similar to human-curated ones, suggesting that closed-ended seeds can be a practical starting point for long-horizon coding data.