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May 13

The Geometry of Cortical Computation: Manifold Disentanglement and Predictive Dynamics in VCNet

Despite their success, modern convolutional neural networks (CNNs) exhibit fundamental limitations, including data inefficiency, poor out-of-distribution generalization, and vulnerability to adversarial perturbations. These shortcomings can be traced to a lack of inductive biases that reflect the inherent geometric structure of the visual world. The primate visual system, in contrast, demonstrates superior efficiency and robustness, suggesting that its architectural and computational principles,which evolved to internalize these structures,may offer a blueprint for more capable artificial vision. This paper introduces Visual Cortex Network (VCNet), a novel neural network architecture whose design is informed by the macro-scale organization of the primate visual cortex. VCNet is framed as a geometric framework that emulates key biological mechanisms, including hierarchical processing across distinct cortical areas, dual-stream information segregation for learning disentangled representations, and top-down predictive feedback for representation refinement. We interpret these mechanisms through the lens of geometry and dynamical systems, positing that they guide the learning of structured, low-dimensional neural manifolds. We evaluate VCNet on two specialized benchmarks: the Spots-10 animal pattern dataset, which probes sensitivity to natural textures, and a light field image classification task, which requires processing higher-dimensional visual data. Our results show that VCNet achieves state-of-the-art accuracy of 92.1\% on Spots-10 and 74.4\% on the light field dataset, surpassing contemporary models of comparable size. This work demonstrates that integrating high-level neuroscientific principles, viewed through a geometric lens, can lead to more efficient and robust models, providing a promising direction for addressing long-standing challenges in machine learning.

  • 3 authors
·
Aug 4, 2025

Impact of Computation in Integral Reinforcement Learning for Continuous-Time Control

Integral reinforcement learning (IntRL) demands the precise computation of the utility function's integral at its policy evaluation (PEV) stage. This is achieved through quadrature rules, which are weighted sums of utility functions evaluated from state samples obtained in discrete time. Our research reveals a critical yet underexplored phenomenon: the choice of the computational method -- in this case, the quadrature rule -- can significantly impact control performance. This impact is traced back to the fact that computational errors introduced in the PEV stage can affect the policy iteration's convergence behavior, which in turn affects the learned controller. To elucidate how computation impacts control, we draw a parallel between IntRL's policy iteration and Newton's method applied to the Hamilton-Jacobi-Bellman equation. In this light, computational error in PEV manifests as an extra error term in each iteration of Newton's method, with its upper bound proportional to the computational error. Further, we demonstrate that when the utility function resides in a reproducing kernel Hilbert space (RKHS), the optimal quadrature is achievable by employing Bayesian quadrature with the RKHS-inducing kernel function. We prove that the local convergence rates for IntRL using the trapezoidal rule and Bayesian quadrature with a Mat\'ern kernel to be O(N^{-2}) and O(N^{-b}), where N is the number of evenly-spaced samples and b is the Mat\'ern kernel's smoothness parameter. These theoretical findings are finally validated by two canonical control tasks.

  • 2 authors
·
Feb 27, 2024

Trace is the New AutoDiff -- Unlocking Efficient Optimization of Computational Workflows

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. We propose an end-to-end optimization framework, Trace, which treats the computational workflow of an AI system as a graph akin to neural networks, based on a generalization of back-propagation. Optimization of computational workflows often involves rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, hyper-parameters, codes), and intricate objectives (beyond maximizing a score). Moreover, its computation graph can change dynamically with the inputs and parameters. We frame a new mathematical setup of iterative optimization, Optimization with Trace Oracle (OPTO), to capture and abstract these properties so as to design optimizers that work across many domains. In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. Trace is the tool to implement OPTO in practice. Trace has a Python interface that efficiently converts a computational workflow into an OPTO instance using a PyTorch-like interface. Using Trace, we develop a general-purpose LLM-based optimizer called OptoPrime that can effectively solve OPTO problems. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We believe that Trace, OptoPrime and the OPTO framework will enable the next generation of interactive agents that automatically adapt using various kinds of feedback. Website: https://microsoft.github.io/Trace

  • 3 authors
·
Jun 23, 2024 1

Tracing the Traces: Latent Temporal Signals for Efficient and Accurate Reasoning

Reasoning models improve their problem-solving ability through inference-time scaling, allocating more compute via longer token budgets. Identifying which reasoning traces are likely to succeed remains a key opportunity: reliably predicting productive paths can substantially reduce wasted computation and improve overall efficiency. We introduce Latent-Trajectory signals that characterize the temporal evolution of a model's internal representations during the generation of intermediate reasoning tokens. By measuring the overall change in latent representations between the start and end of reasoning, the change accumulated across intermediate steps, and the extent to which these changes advance toward the final state, we show that these signals predict solution accuracy more reliably than both cross-layer metrics and output-based confidence measures. When used to guide answer selection across multiple sampled generations, Latent-Trajectory signals make test-time scaling more effective and efficient than majority voting, reducing token usage by up to 70% while preserving and even improving accuracy by 2.6% on average. Moreover, these predictive signals often emerge early in the reasoning trace, enabling early selection and allocation of compute to the most promising candidates. Our findings contribute not only practical strategies for inference-time efficiency, but also a deeper interpretability perspective on how reasoning processes are represented and differentiated in latent space.

MicrosoftResearch Microsoft Research
·
Oct 12, 2025 2

From Noisy Traces to Stable Gradients: Bias-Variance Optimized Preference Optimization for Aligning Large Reasoning Models

Large reasoning models (LRMs) generate intermediate reasoning traces before producing final answers, yielding strong gains on multi-step and mathematical tasks. Yet aligning LRMs with human preferences, a crucial prerequisite for model deployment, remains underexplored. The statistically correct objective for preference alignment requires marginalizing over reasoning traces, but this computation is intractable in practice. A common workaround optimizes a single sampled trajectory, which introduces substantial gradient variance from stochastic trace sampling. To address this challenge, we frame preference optimization for LRMs through the lens of the bias--variance trade-off and propose Bias--Variance Optimized Preference Optimization (BVPO), a simple, drop-in method that mixes two gradient estimators: a high-variance trace-based estimator and a low-variance empty-trace estimator obtained by disabling reasoning trace generation. Our theory shows that BVPO strictly reduces trace-induced variance for any nontrivial mixture, provides a closed-form choice of the mixing weight that minimizes mean-squared error relative to the true marginal gradient, and under standard smoothness and step-size conditions, tightens classical convergence bounds for stochastic gradient descent. Empirically, BVPO improves alignment over the best baseline by up to 7.8 points on AlpacaEval~2 and 6.8 points on Arena-Hard. Despite being trained only on general conversational data, BVPO also boosts reasoning performance for base models by up to 4.0 points on the average of six math reasoning benchmarks. These results identify variance from trace sampling as a key bottleneck and demonstrate that directly optimizing the bias--variance trade-off yields more stable training and stronger overall performance.

  • 5 authors
·
Oct 6, 2025

AttnTrace: Attention-based Context Traceback for Long-Context LLMs

Long-context large language models (LLMs), such as Gemini-2.5-Pro and Claude-Sonnet-4, are increasingly used to empower advanced AI systems, including retrieval-augmented generation (RAG) pipelines and autonomous agents. In these systems, an LLM receives an instruction along with a context--often consisting of texts retrieved from a knowledge database or memory--and generates a response that is contextually grounded by following the instruction. Recent studies have designed solutions to trace back to a subset of texts in the context that contributes most to the response generated by the LLM. These solutions have numerous real-world applications, including performing post-attack forensic analysis and improving the interpretability and trustworthiness of LLM outputs. While significant efforts have been made, state-of-the-art solutions such as TracLLM often lead to a high computation cost, e.g., it takes TracLLM hundreds of seconds to perform traceback for a single response-context pair. In this work, we propose AttnTrace, a new context traceback method based on the attention weights produced by an LLM for a prompt. To effectively utilize attention weights, we introduce two techniques designed to enhance the effectiveness of AttnTrace, and we provide theoretical insights for our design choice. We also perform a systematic evaluation for AttnTrace. The results demonstrate that AttnTrace is more accurate and efficient than existing state-of-the-art context traceback methods. We also show that AttnTrace can improve state-of-the-art methods in detecting prompt injection under long contexts through the attribution-before-detection paradigm. As a real-world application, we demonstrate that AttnTrace can effectively pinpoint injected instructions in a paper designed to manipulate LLM-generated reviews. The code is at https://github.com/Wang-Yanting/AttnTrace.

  • 4 authors
·
Aug 5, 2025 2

PhysMaster: Building an Autonomous AI Physicist for Theoretical and Computational Physics Research

Advances in LLMs have produced agents with knowledge and operational capabilities comparable to human scientists, suggesting potential to assist, accelerate, and automate research. However, existing studies mainly evaluate such systems on well-defined benchmarks or general tasks like literature retrieval, limiting their end-to-end problem-solving ability in open scientific scenarios. This is particularly true in physics, which is abstract, mathematically intensive, and requires integrating analytical reasoning with code-based computation. To address this, we propose PhysMaster, an LLM-based agent functioning as an autonomous theoretical and computational physicist. PhysMaster couples absract reasoning with numerical computation and leverages LANDAU, the Layered Academic Data Universe, which preserves retrieved literature, curated prior knowledge, and validated methodological traces, enhancing decision reliability and stability. It also employs an adaptive exploration strategy balancing efficiency and open-ended exploration, enabling robust performance in ultra-long-horizon tasks. We evaluate PhysMaster on problems from high-energy theory, condensed matter theory to astrophysics, including: (i) acceleration, compressing labor-intensive research from months to hours; (ii) automation, autonomously executing hypothesis-driven loops ; and (iii) autonomous discovery, independently exploring open problems.

  • 21 authors
·
Dec 22, 2025

Bridging Formal Language with Chain-of-Thought Reasoning to Geometry Problem Solving

Large vision language models exhibit notable limitations on Geometry Problem Solving (GPS) because of their unreliable diagram interpretation and pure natural-language reasoning. A recent line of work mitigates this by using symbolic solvers: the model directly generates a formal program that a geometry solver can execute. However, this direct program generation lacks intermediate reasoning, making the decision process opaque and prone to errors. In this work, we explore a new approach that integrates Chain-of-Thought (CoT) with formal language. The model interleaves natural language reasoning with incremental emission of solver-executable code, producing a hybrid reasoning trace in which critical derivations are expressed in formal language. To teach this behavior at scale, we combine (1) supervised fine-tuning on an 11K newly developed synthetic dataset with interleaved natural language reasoning and automatic formalization, and (2) solver-in-the-loop reinforcement learning that jointly optimizes both the CoT narrative and the resulting program through outcome-based rewards. Built on Qwen2.5-VL-7B, our new model, named GF-Reasoner, achieves up to 15% accuracy improvements on standard GPS benchmarks, surpassing both 7B-scale peers and the much larger model Qwen2.5-VL-72B. By exploiting high-order geometric knowledge and offloading symbolic computation to the solver, the generated reasoning traces are noticeably shorter and cleaner. Furthermore, we present a comprehensive analysis of method design choices (e.g., reasoning paradigms, data synthesis, training epochs, etc.), providing actionable insights for future research.

  • 6 authors
·
Aug 12, 2025

J1: Exploring Simple Test-Time Scaling for LLM-as-a-Judge

The current focus of AI research is shifting from emphasizing model training towards enhancing evaluation quality, a transition that is crucial for driving further advancements in AI systems. Traditional evaluation methods typically rely on reward models assigning scalar preference scores to outputs. Although effective, such approaches lack interpretability, leaving users often uncertain about why a reward model rates a particular response as high or low. The advent of LLM-as-a-Judge provides a more scalable and interpretable method of supervision, offering insights into the decision-making process. Moreover, with the emergence of large reasoning models, which consume more tokens for deeper thinking and answer refinement, scaling test-time computation in the LLM-as-a-Judge paradigm presents an avenue for further boosting performance and providing more interpretability through reasoning traces. In this paper, we introduce J1-7B, which is first supervised fine-tuned on reflection-enhanced datasets collected via rejection-sampling and subsequently trained using Reinforcement Learning (RL) with verifiable rewards. At inference time, we apply Simple Test-Time Scaling (STTS) strategies for additional performance improvement. Experimental results demonstrate that J1-7B surpasses the previous state-of-the-art LLM-as-a-Judge by 4.8\% and exhibits a 5.1\% stronger scaling trend under STTS. Additionally, we present three key findings: (1) Existing LLM-as-a-Judge does not inherently exhibit such scaling trend. (2) Model simply fine-tuned on reflection-enhanced datasets continues to demonstrate similarly weak scaling behavior. (3) Significant scaling trend emerges primarily during the RL phase, suggesting that effective STTS capability is acquired predominantly through RL training.

  • 10 authors
·
May 17, 2025

Autonomous Agents Coordinating Distributed Discovery Through Emergent Artifact Exchange

We present ScienceClaw + Infinite, a framework for autonomous scientific investigation in which independent agents conduct research without central coordination, and any contributor can deploy new agents into a shared ecosystem. The system is built around three components: an extensible registry of over 300 interoperable scientific skills, an artifact layer that preserves full computational lineage as a directed acyclic graph (DAG), and a structured platform for agent-based scientific discourse with provenance-aware governance. Agents select and chain tools based on their scientific profiles, produce immutable artifacts with typed metadata and parent lineage, and broadcast unsatisfied information needs to a shared global index. The ArtifactReactor enables plannerless coordination: peer agents discover and fulfill open needs through pressure-based scoring, while schema-overlap matching triggers multi-parent synthesis across independent analyses. An autonomous mutation layer actively prunes the expanding artifact DAG to resolve conflicting or redundant workflows, while persistent memory allows agents to continuously build upon complex epistemic states across multiple cycles. Infinite converts these outputs into auditable scientific records through structured posts, provenance views, and machine-readable discourse relations, with community feedback steering subsequent investigation cycles. Across four autonomous investigations, peptide design for the somatostatin receptor SSTR2, lightweight impact-resistant ceramic screening, cross-domain resonance bridging biology, materials, and music, and formal analogy construction between urban morphology and grain-boundary evolution, the framework demonstrates heterogeneous tool chaining, emergent convergence among independently operating agents, and traceable reasoning from raw computation to published finding.

CodeTracer: Towards Traceable Agent States

Code agents are advancing rapidly, but debugging them is becoming increasingly difficult. As frameworks orchestrate parallel tool calls and multi-stage workflows over complex tasks, making the agent's state transitions and error propagation hard to observe. In these runs, an early misstep can trap the agent in unproductive loops or even cascade into fundamental errors, forming hidden error chains that make it hard to tell when the agent goes off track and why. Existing agent tracing analyses either focus on simple interaction or rely on small-scale manual inspection, which limits their scalability and usefulness for real coding workflows. We present CodeTracer, a tracing architecture that parses heterogeneous run artifacts through evolving extractors, reconstructs the full state transition history as a hierarchical trace tree with persistent memory, and performs failure onset localization to pinpoint the failure origin and its downstream chain. To enable systematic evaluation, we construct CodeTraceBench from a large collection of executed trajectories generated by four widely used code agent frameworks on diverse code tasks (e.g., bug fixing, refactoring, and terminal interaction), with supervision at both the stage and step levels for failure localization. Experiments show that CodeTracer substantially outperforms direct prompting and lightweight baselines, and that replaying its diagnostic signals consistently recovers originally failed runs under matched budgets. Our code and data are publicly available.

NJU-LINK NJU-LINK Lab
·
Apr 12 2

Auto Research with Specialist Agents Develops Effective and Non-Trivial Training Recipes

We study auto research as a closed empirical loop driven by external measurement. Each submitted trial carries a hypothesis, an executable code edit, an evaluator-owned outcome, and feedback that shapes the next proposal. The output is not a generated paper or a single model checkpoint, but an auditable trajectory of proposals, code diffs, experiments, scores, and failure labels. We instantiate this loop with specialist agents that partition recipe surfaces and share measured lineage across trials. The central empirical finding is that lineage feedback lets agents turn evaluator outcomes, including crashes, budget overruns, size failures, and accuracy-gate misses, into later program-level recipe edits rather than one-shot suggestions. Across 1,197 headline-run trials plus 600 Parameter Golf control trials after one-time setup and launch, humans did not choose proposals, edit recipes, override scores, or repair failed trials during the search. In the three headline runs, the same submitted-trial loop reduces Parameter Golf validation bpb by 0.81%, raises NanoChat-D12 CORE by 38.7%, and reduces CIFAR-10 Airbench96 wallclock by 4.59%, with each task measured by its own external evaluator and legality checks. The trace includes a strict architecture-domain audit of 157 headline-run submissions and program rewrites such as a NanoChat attention-kernel path change. Within this scope the loop autonomously writes code, submits experiments, absorbs feedback, applies and combines known techniques inside each environment, and improves public starting recipes.

TraceCoder: A Trace-Driven Multi-Agent Framework for Automated Debugging of LLM-Generated Code

Large Language Models (LLMs) often generate code with subtle but critical bugs, especially for complex tasks. Existing automated repair methods typically rely on superficial pass/fail signals, offering limited visibility into program behavior and hindering precise error localization. In addition, without a way to learn from prior failures, repair processes often fall into repetitive and inefficient cycles. To overcome these challenges, we present TraceCoder, a collaborative multi-agent framework that emulates the observe-analyze-repair process of human experts. The framework first instruments the code with diagnostic probes to capture fine-grained runtime traces, enabling deep insight into its internal execution. It then conducts causal analysis on these traces to accurately identify the root cause of the failure. This process is further enhanced by a novel Historical Lesson Learning Mechanism (HLLM), which distills insights from prior failed repair attempts to inform subsequent correction strategies and prevent recurrence of similar mistakes. To ensure stable convergence, a Rollback Mechanism enforces that each repair iteration constitutes a strict improvement toward the correct solution. Comprehensive experiments across multiple benchmarks show that TraceCoder achieves up to a 34.43\% relative improvement in Pass@1 accuracy over existing advanced baselines. Ablation studies verify the significance of each system component, with the iterative repair process alone contributing a 65.61\% relative gain in accuracy. Furthermore, TraceCoder significantly outperforms leading iterative methods in terms of both accuracy and cost-efficiency.

  • 6 authors
·
Feb 6

TRACED: Execution-aware Pre-training for Source Code

Most existing pre-trained language models for source code focus on learning the static code text, typically augmented with static code structures (abstract syntax tree, dependency graphs, etc.). However, program semantics will not be fully exposed before the real execution. Without an understanding of the program execution, statically pre-trained models fail to comprehensively capture the dynamic code properties, such as the branch coverage and the runtime variable values, and they are consequently less effective at code understanding tasks, such as retrieving semantic clones and detecting software vulnerabilities. To close the gap between the static nature of language models and the dynamic characteristics of programs, we introduce TRACED, an execution-aware pre-training strategy for source code. Specifically, we pre-train code language models with a combination of source code, executable inputs, and corresponding execution traces. Our goal is to teach code models the complicated execution logic during the pre-training, enabling the model to statically estimate the dynamic code properties without repeatedly executing code during task-specific fine-tuning. To illustrate the effectiveness of our proposed approach, we fine-tune and evaluate TRACED on three downstream tasks: static execution estimation, clone retrieval, and vulnerability detection. The empirical results show that TRACED relatively improves the statically pre-trained code models by 12.4% for complete execution path prediction and by 25.2% for runtime variable value predictions. TRACED also significantly outperforms statically pre-trained models in clone retrieval and vulnerability detection across four public benchmarks.

  • 6 authors
·
Jun 12, 2023

LookupViT: Compressing visual information to a limited number of tokens

Vision Transformers (ViT) have emerged as the de-facto choice for numerous industry grade vision solutions. But their inference cost can be prohibitive for many settings, as they compute self-attention in each layer which suffers from quadratic computational complexity in the number of tokens. On the other hand, spatial information in images and spatio-temporal information in videos is usually sparse and redundant. In this work, we introduce LookupViT, that aims to exploit this information sparsity to reduce ViT inference cost. LookupViT provides a novel general purpose vision transformer block that operates by compressing information from higher resolution tokens to a fixed number of tokens. These few compressed tokens undergo meticulous processing, while the higher-resolution tokens are passed through computationally cheaper layers. Information sharing between these two token sets is enabled through a bidirectional cross-attention mechanism. The approach offers multiple advantages - (a) easy to implement on standard ML accelerators (GPUs/TPUs) via standard high-level operators, (b) applicable to standard ViT and its variants, thus generalizes to various tasks, (c) can handle different tokenization and attention approaches. LookupViT also offers flexibility for the compressed tokens, enabling performance-computation trade-offs in a single trained model. We show LookupViT's effectiveness on multiple domains - (a) for image-classification (ImageNet-1K and ImageNet-21K), (b) video classification (Kinetics400 and Something-Something V2), (c) image captioning (COCO-Captions) with a frozen encoder. LookupViT provides 2times reduction in FLOPs while upholding or improving accuracy across these domains. In addition, LookupViT also demonstrates out-of-the-box robustness and generalization on image classification (ImageNet-C,R,A,O), improving by up to 4% over ViT.

  • 5 authors
·
Jul 17, 2024

Window-Based Early-Exit Cascades for Uncertainty Estimation: When Deep Ensembles are More Efficient than Single Models

Deep Ensembles are a simple, reliable, and effective method of improving both the predictive performance and uncertainty estimates of deep learning approaches. However, they are widely criticised as being computationally expensive, due to the need to deploy multiple independent models. Recent work has challenged this view, showing that for predictive accuracy, ensembles can be more computationally efficient (at inference) than scaling single models within an architecture family. This is achieved by cascading ensemble members via an early-exit approach. In this work, we investigate extending these efficiency gains to tasks related to uncertainty estimation. As many such tasks, e.g. selective classification, are binary classification, our key novel insight is to only pass samples within a window close to the binary decision boundary to later cascade stages. Experiments on ImageNet-scale data across a number of network architectures and uncertainty tasks show that the proposed window-based early-exit approach is able to achieve a superior uncertainty-computation trade-off compared to scaling single models. For example, a cascaded EfficientNet-B2 ensemble is able to achieve similar coverage at 5% risk as a single EfficientNet-B4 with <30% the number of MACs. We also find that cascades/ensembles give more reliable improvements on OOD data vs scaling models up. Code for this work is available at: https://github.com/Guoxoug/window-early-exit.

  • 2 authors
·
Mar 14, 2023

Unraveling the Mystery of Scaling Laws: Part I

Scaling law principles indicate a power-law correlation between loss and variables such as model size, dataset size, and computational resources utilized during training. These principles play a vital role in optimizing various aspects of model pre-training, ultimately contributing to the success of large language models such as GPT-4, Llama and Gemini. However, the original scaling law paper by OpenAI did not disclose the complete details necessary to derive the precise scaling law formulas, and their conclusions are only based on models containing up to 1.5 billion parameters. Though some subsequent works attempt to unveil these details and scale to larger models, they often neglect the training dependency of important factors such as the learning rate, context length and batch size, leading to their failure to establish a reliable formula for predicting the test loss trajectory. In this technical report, we confirm that the scaling law formulations proposed in the original OpenAI paper remain valid when scaling the model size up to 33 billion, but the constant coefficients in these formulas vary significantly with the experiment setup. We meticulously identify influential factors and provide transparent, step-by-step instructions to estimate all constant terms in scaling-law formulas by training on models with only 1M~60M parameters. Using these estimated formulas, we showcase the capability to accurately predict various attributes for models with up to 33B parameters before their training, including (1) the minimum possible test loss; (2) the minimum required training steps and processed tokens to achieve a specific loss; (3) the critical batch size with an optimal time/computation trade-off at any loss value; and (4) the complete test loss trajectory with arbitrary batch size.

  • 4 authors
·
Mar 11, 2024

CoCoNUT: Structural Code Understanding does not fall out of a tree

Large Language Models (LLMs) have shown impressive performance across a wide array of tasks involving both structured and unstructured textual data. Recent results on various benchmarks for code generation, repair, or completion suggest that certain models have programming abilities comparable to or even surpass humans. In this work, we demonstrate that high performance on such benchmarks does not correlate to humans' innate ability to understand structural control flow in code. To this end, we extract solutions from the HumanEval benchmark, which the relevant models perform strongly on, and trace their execution path using function calls sampled from the respective test set. Using this dataset, we investigate the ability of seven state-of-the-art LLMs to match the execution trace and find that, despite their ability to generate semantically identical code, they possess limited ability to trace execution paths, especially for longer traces and specific control structures. We find that even the top-performing model, Gemini, can fully and correctly generate only 47% of HumanEval task traces. Additionally, we introduce a subset for three key structures not contained in HumanEval: Recursion, Parallel Processing, and Object-Oriented Programming, including concepts like Inheritance and Polymorphism. Besides OOP, we show that none of the investigated models achieve an accuracy over 5% on the relevant traces. Aggregating these specialized parts with HumanEval tasks, we present Benchmark CoCoNUT: Code Control Flow for Navigation Understanding and Testing, which measures a model's ability to trace execution of code upon relevant calls, including advanced structural components. We conclude that current LLMs need significant improvement to enhance code reasoning abilities. We hope our dataset helps researchers bridge this gap.

  • 2 authors
·
Jan 27, 2025

SpecMap: Hierarchical LLM Agent for Datasheet-to-Code Traceability Link Recovery in Systems Engineering

Establishing precise traceability between embedded systems datasheets and their corresponding code implementations remains a fundamental challenge in systems engineering, particularly for low-level software where manual mapping between specification documents and large code repositories is infeasible. Existing Traceability Link Recovery approaches primarily rely on lexical similarity and information retrieval techniques, which struggle to capture the semantic, structural, and symbol level relationships prevalent in embedded systems software. We present a hierarchical datasheet-to-code mapping methodology that employs large language models for semantic analysis while explicitly structuring the traceability process across multiple abstraction levels. Rather than performing direct specification-to-code matching, the proposed approach progressively narrows the search space through repository-level structure inference, file-level relevance estimation, and fine-grained symbollevel alignment. The method extends beyond function-centric mapping by explicitly covering macros, structs, constants, configuration parameters, and register definitions commonly found in systems-level C/C++ codebases. We evaluate the approach on multiple open-source embedded systems repositories using manually curated datasheet-to-code ground truth. Experimental results show substantial improvements over traditional information-retrieval-based baselines, achieving up to 73.3% file mapping accuracy. We significantly reduce computational overhead, lowering total LLM token consumption by 84% and end-to-end runtime by approximately 80%. This methodology supports automated analysis of large embedded software systems and enables downstream applications such as training data generation for systems-aware machine learning models, standards compliance verification, and large-scale specification coverage analysis.

  • 3 authors
·
Jan 16

Enhancing Automated Software Traceability by Transfer Learning from Open-World Data

Software requirements traceability is a critical component of the software engineering process, enabling activities such as requirements validation, compliance verification, and safety assurance. However, the cost and effort of manually creating a complete set of trace links across natural language artifacts such as requirements, design, and test-cases can be prohibitively expensive. Researchers have therefore proposed automated link-generation solutions primarily based on information-retrieval (IR) techniques; however, these solutions have failed to deliver the accuracy needed for full adoption in industrial projects. Improvements can be achieved using deep-learning traceability models; however, their efficacy is impeded by the limited size and availability of project-level artifacts and links to serve as training data. In this paper, we address this problem by proposing and evaluating several deep-learning approaches for text-to-text traceability. Our method, named NLTrace, explores three transfer learning strategies that use datasets mined from open world platforms. Through pretraining Language Models (LMs) and leveraging adjacent tracing tasks, we demonstrate that NLTrace can significantly improve the performance of LM based trace models when training links are available. In such scenarios NLTrace outperforms the best performing classical IR method with an 188% improvement in F2 score and 94.01% in Mean Average Precision (MAP). It also outperforms the general LM based trace model by 7% and 23% for F2 and MAP respectively. In addition, NLTrace can adapt to low-resource tracing scenarios where other LM models can not. The knowledge learned from adjacent tasks enables NLTrace to outperform VSM models by 28% F2 on generation challenges when presented with a small number of training examples.

CodeCircuit: Toward Inferring LLM-Generated Code Correctness via Attribution Graphs

Current paradigms for code verification rely heavily on external mechanisms-such as execution-based unit tests or auxiliary LLM judges-which are often labor-intensive or limited by the judging model's own capabilities. This raises a fundamental, yet unexplored question: Can an LLM's functional correctness be assessed purely from its internal computational structure? Our primary objective is to investigate whether the model's neural dynamics encode internally decodable signals that are predictive of logical validity during code generation. Inspired by mechanistic interpretability, we propose to treat code verification as a mechanistic diagnostic task, mapping the model's explicit algorithmic trajectory into line-level attribution graphs. By decomposing complex residual flows, we aim to identify the structural signatures that distinguish sound reasoning from logical failure within the model's internal circuits. Analysis across Python, C++, and Java confirms that intrinsic correctness signals are robust across diverse syntaxes. Topological features from these internal graphs predict correctness more reliably than surface heuristics and enable targeted causal interventions to fix erroneous logic. These findings establish internal introspection as a decodable property for verifying generated code. Our code is at https:// github.com/bruno686/CodeCircuit.

Benchmarking Reward Hack Detection in Code Environments via Contrastive Analysis

Recent advances in reinforcement learning for code generation have made robust environments essential to prevent reward hacking. As LLMs increasingly serve as evaluators in code-based RL, their ability to detect reward hacking remains understudied. In this paper, we propose a novel taxonomy of reward exploits spanning across 54 categories and introduce TRACE (Testing Reward Anomalies in Code Environments), a synthetically curated and human-verified benchmark containing 517 testing trajectories. Unlike prior work that evaluates reward hack detection in isolated classification scenarios, we contrast these evaluations with a more realistic, contrastive anomaly detection setup on TRACE. Our experiments reveal that models capture reward hacks more effectively in contrastive settings than in isolated classification settings, with GPT-5.2 with highest reasoning mode achieving the best detection rate at 63%, up from 45% in isolated settings on TRACE. Building on this insight, we demonstrate that state-of-the-art models struggle significantly more with semantically contextualized reward hacks compared to syntactically contextualized ones. We further conduct qualitative analyses of model behaviors, as well as ablation studies showing that the ratio of benign to hacked trajectories and analysis cluster sizes substantially impact detection performance. We release the benchmark and evaluation harness to enable the community to expand TRACE and evaluate their models.

PatronusAI Patronus AI
·
Jan 27 3

Traceability Transformed: Generating more Accurate Links with Pre-Trained BERT Models

Software traceability establishes and leverages associations between diverse development artifacts. Researchers have proposed the use of deep learning trace models to link natural language artifacts, such as requirements and issue descriptions, to source code; however, their effectiveness has been restricted by availability of labeled data and efficiency at runtime. In this study, we propose a novel framework called Trace BERT (T-BERT) to generate trace links between source code and natural language artifacts. To address data sparsity, we leverage a three-step training strategy to enable trace models to transfer knowledge from a closely related Software Engineering challenge, which has a rich dataset, to produce trace links with much higher accuracy than has previously been achieved. We then apply the T-BERT framework to recover links between issues and commits in Open Source Projects. We comparatively evaluated accuracy and efficiency of three BERT architectures. Results show that a Single-BERT architecture generated the most accurate links, while a Siamese-BERT architecture produced comparable results with significantly less execution time. Furthermore, by learning and transferring knowledge, all three models in the framework outperform classical IR trace models. On the three evaluated real-word OSS projects, the best T-BERT stably outperformed the VSM model with average improvements of 60.31% measured using Mean Average Precision (MAP). RNN severely underperformed on these projects due to insufficient training data, while T-BERT overcame this problem by using pretrained language models and transfer learning.

An Empirical Study of Proactive Coding Assistants in Real-World Software Development

Large language model (LLM)-based coding assistants have made substantial progress, yet most systems remain reactive, requiring developers to explicitly formulate their needs. Proactive coding assistants aim to infer latent developer intent from integrated development environment (IDE) interactions and repository context, thereby reducing interaction overhead and supporting more seamless assistance. However, research in this direction is limited by the scarcity of large-scale real-world developer behavior data. Existing studies therefore often rely on LLM-simulated IDE traces, whose fidelity to real development behavior remains unclear. In this paper, we investigate this simulation-to-reality gap through a large-scale empirical study. We collect real IDE interaction traces from 1{,}246 experienced industry developers over three consecutive days using a custom Visual Studio Code extension, and construct paired LLM-simulated traces for controlled comparison. Our analysis shows that simulated traces differ substantially from real traces in behavioral diversity, temporal structure, and exploratory patterns. Based on the collected data, we introduce ProCodeBench, a real-world benchmark for proactive intent prediction. Experiments with representative LLMs, retrieval-augmented methods, and agentic baselines show that current approaches remain far from reliable under real IDE traces, suggesting that simulation-based evaluation can overestimate real-world performance. Finally, our training study shows that simulated data cannot replace real data, but can complement it when used before real-world fine-tuning. These findings highlight the importance of real developer behavior data for evaluating and training proactive coding assistants.

  • 4 authors
·
May 6

Generating the Traces You Need: A Conditional Generative Model for Process Mining Data

In recent years, trace generation has emerged as a significant challenge within the Process Mining community. Deep Learning (DL) models have demonstrated accuracy in reproducing the features of the selected processes. However, current DL generative models are limited in their ability to adapt the learned distributions to generate data samples based on specific conditions or attributes. This limitation is particularly significant because the ability to control the type of generated data can be beneficial in various contexts, enabling a focus on specific behaviours, exploration of infrequent patterns, or simulation of alternative 'what-if' scenarios. In this work, we address this challenge by introducing a conditional model for process data generation based on a conditional variational autoencoder (CVAE). Conditional models offer control over the generation process by tuning input conditional variables, enabling more targeted and controlled data generation. Unlike other domains, CVAE for process mining faces specific challenges due to the multiperspective nature of the data and the need to adhere to control-flow rules while ensuring data variability. Specifically, we focus on generating process executions conditioned on control flow and temporal features of the trace, allowing us to produce traces for specific, identified sub-processes. The generated traces are then evaluated using common metrics for generative model assessment, along with additional metrics to evaluate the quality of the conditional generation

  • 8 authors
·
Nov 4, 2024

Demystifying Invariant Effectiveness for Securing Smart Contracts

Smart contract transactions associated with security attacks often exhibit distinct behavioral patterns compared with historical benign transactions before the attacking events. While many runtime monitoring and guarding mechanisms have been proposed to validate invariants and stop anomalous transactions on the fly, the empirical effectiveness of the invariants used remains largely unexplored. In this paper, we studied 23 prevalent invariants of 8 categories, which are either deployed in high-profile protocols or endorsed by leading auditing firms and security experts. Using these well-established invariants as templates, we developed a tool Trace2Inv which dynamically generates new invariants customized for a given contract based on its historical transaction data. We evaluated Trace2Inv on 42 smart contracts that fell victim to 27 distinct exploits on the Ethereum blockchain. Our findings reveal that the most effective invariant guard alone can successfully block 18 of the 27 identified exploits with minimal gas overhead. Our analysis also shows that most of the invariants remain effective even when the experienced attackers attempt to bypass them. Additionally, we studied the possibility of combining multiple invariant guards, resulting in blocking up to 23 of the 27 benchmark exploits and achieving false positive rates as low as 0.32%. Trace2Inv outperforms current state-of-the-art works on smart contract invariant mining and transaction attack detection in terms of both practicality and accuracy. Though Trace2Inv is not primarily designed for transaction attack detection, it surprisingly found two previously unreported exploit transactions, earlier than any reported exploit transactions against the same victim contracts.

  • 5 authors
·
Jul 13, 2024

TRACE: A Comprehensive Benchmark for Continual Learning in Large Language Models

Aligned large language models (LLMs) demonstrate exceptional capabilities in task-solving, following instructions, and ensuring safety. However, the continual learning aspect of these aligned LLMs has been largely overlooked. Existing continual learning benchmarks lack sufficient challenge for leading aligned LLMs, owing to both their simplicity and the models' potential exposure during instruction tuning. In this paper, we introduce TRACE, a novel benchmark designed to evaluate continual learning in LLMs. TRACE consists of 8 distinct datasets spanning challenging tasks including domain-specific tasks, multilingual capabilities, code generation, and mathematical reasoning. All datasets are standardized into a unified format, allowing for effortless automatic evaluation of LLMs. Our experiments show that after training on TRACE, aligned LLMs exhibit significant declines in both general ability and instruction-following capabilities. For example, the accuracy of llama2-chat 13B on gsm8k dataset declined precipitously from 28.8\% to 2\% after training on our datasets. This highlights the challenge of finding a suitable tradeoff between achieving performance on specific tasks while preserving the original prowess of LLMs. Empirical findings suggest that tasks inherently equipped with reasoning paths contribute significantly to preserving certain capabilities of LLMs against potential declines. Motivated by this, we introduce the Reasoning-augmented Continual Learning (RCL) approach. RCL integrates task-specific cues with meta-rationales, effectively reducing catastrophic forgetting in LLMs while expediting convergence on novel tasks.

  • 12 authors
·
Oct 10, 2023

Tracing the Origin of Adversarial Attack for Forensic Investigation and Deterrence

Deep neural networks are vulnerable to adversarial attacks. In this paper, we take the role of investigators who want to trace the attack and identify the source, that is, the particular model which the adversarial examples are generated from. Techniques derived would aid forensic investigation of attack incidents and serve as deterrence to potential attacks. We consider the buyers-seller setting where a machine learning model is to be distributed to various buyers and each buyer receives a slightly different copy with same functionality. A malicious buyer generates adversarial examples from a particular copy M_i and uses them to attack other copies. From these adversarial examples, the investigator wants to identify the source M_i. To address this problem, we propose a two-stage separate-and-trace framework. The model separation stage generates multiple copies of a model for a same classification task. This process injects unique characteristics into each copy so that adversarial examples generated have distinct and traceable features. We give a parallel structure which embeds a ``tracer'' in each copy, and a noise-sensitive training loss to achieve this goal. The tracing stage takes in adversarial examples and a few candidate models, and identifies the likely source. Based on the unique features induced by the noise-sensitive loss function, we could effectively trace the potential adversarial copy by considering the output logits from each tracer. Empirical results show that it is possible to trace the origin of the adversarial example and the mechanism can be applied to a wide range of architectures and datasets.

  • 6 authors
·
Dec 30, 2022

A Trace-Based Assurance Framework for Agentic AI Orchestration: Contracts, Testing, and Governance

In Agentic AI, Large Language Models (LLMs) are increasingly used in the orchestration layer to coordinate multiple agents and to interact with external services, retrieval components, and shared memory. In this setting, failures are not limited to incorrect final outputs. They also arise from long-horizon interaction, stochastic decisions, and external side effects (such as API calls, database writes, and message sends). Common failures include non-termination, role drift, propagation of unsupported claims, and attacks via untrusted context or external channels. This paper presents an assurance framework for such Agentic AI systems. Executions are instrumented as Message-Action Traces (MAT) with explicit step and trace contracts. Contracts provide machine-checkable verdicts, localize the first violating step, and support deterministic replay. The framework includes stress testing, formulated as a budgeted counterexample search over bounded perturbations. It also supports structured fault injection at service, retrieval, and memory boundaries to assess containment under realistic operational faults and degraded conditions. Finally, governance is treated as a runtime component, enforcing per-agent capability limits and action mediation (allow, rewrite, block) at the language-to-action boundary. To support comparative evaluations across stochastic seeds, models, and orchestration configurations, the paper defines trace-based metrics for task success, termination reliability, contract compliance, factuality indicators, containment rate, and governance outcome distributions. More broadly, the framework is intended as a common abstraction to support testing and evaluation of multi-agent LLM systems, and to facilitate reproducible comparison across orchestration designs and configurations.

  • 3 authors
·
Mar 17

Understanding the Effect of Noise in LLM Training Data with Algorithmic Chains of Thought

During both pretraining and fine-tuning, Large Language Models (LLMs) are trained on trillions of tokens of text of widely varying quality. Both phases of training typically involve heuristically filtering out ``low-quality'' or noisy training samples, yet little is known quantitatively about how the type or intensity of noise affects downstream performance. In this work, we study how noise in chain of thought (CoT) impacts task performance in the highly-controlled setting of algorithmically solvable tasks. First, we develop the Traced Integer (TInt) framework to generate highly customizable noised execution traces for any arithmetic function on lists of integers. We then define two types of noise: static noise, a local form of noise which is applied after the CoT trace is computed, and dynamic noise, a global form of noise which propagates errors in the trace as it is computed. We then evaluate the test performance of pretrained models both prompted and fine-tuned on noised datasets with varying levels of dataset contamination and intensity. We find fine-tuned models are extremely robust to high levels of static noise but struggle significantly more with lower levels of dynamic noise. In contrast, few-shot prompted models appear more sensitive to even static noise. We conclude with a discussion of how our findings impact noise filtering best-practices, in particular emphasizing the importance of removing samples containing destructive dynamic noise with global errors.

  • 2 authors
·
Feb 6, 2024

STEPWISE-CODEX-Bench: Evaluating Complex Multi-Function Comprehension and Fine-Grained Execution Reasoning

In recent years, large language models (LLMs) have made significant progress in code intelligence, yet systematically evaluating their code understanding and reasoning abilities remains challenging. Mainstream benchmarks such as HumanEval and MBPP primarily assess functional correctness, while reasoning benchmarks like CRUXEVAL are limited to single-function, low-complexity scenarios. As a result, advanced models achieve nearly saturated scores, limiting their discriminative power. To address this, we present STEPWISE-CODEX-Bench (SX-Bench), a novel benchmark designed for complex multi-function understanding and fine-grained execution reasoning. SX-Bench features tasks involving collaboration among multiple sub-functions (e.g., chained calls, nested loops), shifting evaluation towards overall control and data flow modeling. It defines "computation steps" as the minimal execution unit and requires models to predict the total number of steps in reasoning tasks, thereby assessing a model's in-depth understanding of dynamic execution beyond simple I/O matching. Evaluation on over 20 mainstream models (including 14 reasoning-enhanced models) demonstrates that SX-Bench is highly discriminative: even the state-of-the-art OpenAI-O3 achieves only 78.37 percent accuracy on Hard-Reasoning tasks, much lower than its saturated scores on previous benchmarks, thereby revealing bottlenecks in complex and fine-grained reasoning. We also release an automated pipeline combining program synthesis, symbolic execution, and LLM-aided validation for efficient benchmark generation and quality assurance. SX-Bench advances code evaluation from "single-function verification" to "multi-function dynamic reasoning," providing a key tool for the in-depth assessment of advanced code intelligence models.

  • 6 authors
·
Aug 7, 2025

DyCL: Dynamic Neural Network Compilation Via Program Rewriting and Graph Optimization

DL compiler's primary function is to translate DNN programs written in high-level DL frameworks such as PyTorch and TensorFlow into portable executables. These executables can then be flexibly executed by the deployed host programs. However, existing DL compilers rely on a tracing mechanism, which involves feeding a runtime input to a neural network program and tracing the program execution paths to generate the computational graph necessary for compilation. Unfortunately, this mechanism falls short when dealing with modern dynamic neural networks (DyNNs) that possess varying computational graphs depending on the inputs. Consequently, conventional DL compilers struggle to accurately compile DyNNs into executable code. To address this limitation, we propose \tool, a general approach that enables any existing DL compiler to successfully compile DyNNs. \tool tackles the dynamic nature of DyNNs by introducing a compilation mechanism that redistributes the control and data flow of the original DNN programs during the compilation process. Specifically, \tool develops program analysis and program transformation techniques to convert a dynamic neural network into multiple sub-neural networks. Each sub-neural network is devoid of conditional statements and is compiled independently. Furthermore, \tool synthesizes a host module that models the control flow of the DyNNs and facilitates the invocation of the sub-neural networks. Our evaluation demonstrates the effectiveness of \tool, achieving a 100\% success rate in compiling all dynamic neural networks. Moreover, the compiled executables generated by \tool exhibit significantly improved performance, running between 1.12times and 20.21times faster than the original DyNNs executed on general-purpose DL frameworks.

  • 4 authors
·
Jul 10, 2023

The Functional Machine Calculus III: Control

The Functional Machine Calculus (Heijltjes 2022) is a new approach to unifying the imperative and functional programming paradigms. It extends the lambda-calculus, preserving the key features of confluent reduction and typed termination, to embed computational effects, evaluation strategies, and control flow operations. The first instalment modelled sequential higher-order computation with global store, input/output, probabilities, and non-determinism, and embedded both the call-by-name and call-by-value lambda-calculus, as well as Moggi's computational metalanguage and Levy's call-by-push-value. The present paper extends the calculus from sequential to branching and looping control flow. This allows the faithful embedding of a minimal but complete imperative language, including conditionals, exception handling, and iteration, as well as constants and algebraic data types. The calculus is defined through a simple operational semantics, extending the (simplified) Krivine machine for the lambda-calculus with multiple operand stacks to model effects and a continuation stack to model sequential, branching, and looping computation. It features a confluent reduction relation and a system of simple types that guarantees termination of the machine and strong normalization of reduction (in the absence of iteration). These properties carry over to the embedded imperative language, providing a unified functional-imperative model of computation that supports simple types, a direct and intuitive operational semantics, and a confluent reduction semantics.

  • 1 authors
·
Oct 9, 2025

Learning Math Reasoning from Self-Sampled Correct and Partially-Correct Solutions

Pretrained language models have shown superior performance on many natural language processing tasks, yet they still struggle at multi-step formal reasoning tasks like grade school math problems. One key challenge of finetuning them to solve such math reasoning problems is that many existing datasets only contain one reference solution for each problem, despite the fact that there are often alternative solutions resembling different reasoning paths to the final answer. This way, the finetuned models are biased towards the limited reference solutions, which limits their generalization to unseen examples. To mitigate this issue, we propose to let the model perform sampling during training and learn from both self-sampled fully-correct solutions, which yield the correct answer upon execution, and partially-correct solutions, whose intermediate state matches an intermediate state of a known correct solution. We show that our use of self-sampled correct and partially-correct solutions can benefit learning and help guide the sampling process, leading to more efficient exploration of the solution space. Additionally, we explore various training objectives to support learning from multiple solutions per example and find they greatly affect the performance. Experiments on two math reasoning datasets show the effectiveness of our method compared to learning from a single reference solution with MLE, where we improve PASS@100 from 35.5% to 44.5% for GSM8K, and 27.6% to 36.2% PASS@80 for MathQA. Such improvements are also consistent across different model sizes. Our code is available at https://github.com/microsoft/TraceCodegen.

  • 7 authors
·
May 27, 2022

A New Era in Software Security: Towards Self-Healing Software via Large Language Models and Formal Verification

In this paper we present a novel solution that combines the capabilities of Large Language Models (LLMs) with Formal Verification strategies to verify and automatically repair software vulnerabilities. Initially, we employ Bounded Model Checking (BMC) to locate the software vulnerability and derive a counterexample. The counterexample provides evidence that the system behaves incorrectly or contains a vulnerability. The counterexample that has been detected, along with the source code, are provided to the LLM engine. Our approach involves establishing a specialized prompt language for conducting code debugging and generation to understand the vulnerability's root cause and repair the code. Finally, we use BMC to verify the corrected version of the code generated by the LLM. As a proof of concept, we create ESBMC-AI based on the Efficient SMT-based Context-Bounded Model Checker (ESBMC) and a pre-trained Transformer model, specifically gpt-3.5-turbo, to detect and fix errors in C programs. Our experimentation involved generating a dataset comprising 1000 C code samples, each consisting of 20 to 50 lines of code. Notably, our proposed method achieved an impressive success rate of up to 80% in repairing vulnerable code encompassing buffer overflow and pointer dereference failures. We assert that this automated approach can effectively incorporate into the software development lifecycle's continuous integration and deployment (CI/CD) process.

  • 6 authors
·
May 24, 2023

Flexible Non-intrusive Dynamic Instrumentation for WebAssembly

A key strength of managed runtimes over hardware is the ability to gain detailed insight into the dynamic execution of programs with instrumentation. Analyses such as code coverage, execution frequency, tracing, and debugging, are all made easier in a virtual setting. As a portable, low-level bytecode, WebAssembly offers inexpensive in-process sandboxing with high performance. Yet to date, Wasm engines have not offered much insight into executing programs, supporting at best bytecode-level stepping and basic source maps, but no instrumentation capabilities. In this paper, we show the first non-intrusive dynamic instrumentation system for WebAssembly in the open-source Wizard Research Engine. Our innovative design offers a flexible, complete hierarchy of instrumentation primitives that support building high-level, complex analyses in terms of low-level, programmable probes. In contrast to emulation or machine code instrumentation, injecting probes at the bytecode level increases expressiveness and vastly simplifies the implementation by reusing the engine's JIT compiler, interpreter, and deoptimization mechanism rather than building new ones. Wizard supports both dynamic instrumentation insertion and removal while providing consistency guarantees, which is key to composing multiple analyses without interference. We detail a fully-featured implementation in a high-performance multi-tier Wasm engine, show novel optimizations specifically designed to minimize instrumentation overhead, and evaluate performance characteristics under load from various analyses. This design is well-suited for production engine adoption as probes can be implemented to have no impact on production performance when not in use.

  • 6 authors
·
Mar 12, 2024

KG-TRACES: Enhancing Large Language Models with Knowledge Graph-constrained Trajectory Reasoning and Attribution Supervision

Large language models (LLMs) have made remarkable strides in various natural language processing tasks, but their performance on complex reasoning problems remains hindered by a lack of explainability and trustworthiness. This issue, often manifesting as hallucinations or unattributable reasoning processes, limits their applicability in complex reasoning scenarios. To address this, we propose Knowledge Graph-constrained Trajectory Reasoning Attribution and Chain Explanation Supervision (KG-TRACES), a novel framework that enhances the reasoning ability of LLMs through explicit supervision over reasoning paths and processes. KG-TRACES jointly supervises the model to: (1) predict symbolic relation paths, (2) predict full triple-level reasoning paths, and (3) generate attribution-aware reasoning processes grounded in the reasoning paths. At inference phase, the model adapts to both KG-available and KG-unavailable scenarios, retrieving reasoning paths from a KG when possible or predicting plausible reasoning paths with only intrinsic knowledge when not. This design enables the model to reason in an explainable and source-attributable pattern. Through extensive experiments on complex reasoning tasks, we demonstrate that KG-TRACES significantly outperforms existing SOTA: it improves Hits@1 by 1.6% and F1 by 4.7% on WebQSP, and achieves improvements of 4.8% in Hits@1 and 2.1% in F1 on CWQ. Moreover, we show its transferability to specialized domains such as medicine. By visualizing the intermediate steps of reasoning processes, we further show that the explicit supervision introduced by KG-TRACES leads to more stable and goal-directed reasoning processes, aligning closely with correct answers. Code is available at https://github.com/Edaizi/KG-TRACES.

  • 8 authors
·
May 31, 2025

CodeSense: a Real-World Benchmark and Dataset for Code Semantic Reasoning

Understanding and reasoning about code semantics is essential for enhancing code LLMs' abilities to solve real-world software engineering (SE) tasks. Although several code reasoning benchmarks exist, most rely on synthetic datasets or educational coding problems and focus on coarse-grained reasoning tasks such as input/output prediction, limiting their effectiveness in evaluating LLMs in practical SE contexts. To bridge this gap, we propose CodeSense, the first benchmark that makes available a spectrum of fine-grained code reasoning tasks concerned with the software engineering of real-world code. We collected Python, C and Java software projects from real-world repositories. We executed tests from these repositories, collected their execution traces, and constructed a ground truth dataset for fine-grained semantic reasoning tasks. We then performed comprehensive evaluations on state-of-the-art LLMs. Our results show a clear performance gap for the models to handle fine-grained reasoning tasks. Although prompting techniques such as chain-of-thought and in-context learning helped, the lack of code semantics in LLMs fundamentally limit models' capabilities of code reasoning. Besides dataset, benchmark and evaluation, our work produced an execution tracing framework and tool set that make it easy to collect ground truth for fine-grained SE reasoning tasks, offering a strong basis for future benchmark construction and model post training. Our code and data are located at https://codesense-bench.github.io/.

  • 7 authors
·
May 31, 2025

LDB: A Large Language Model Debugger via Verifying Runtime Execution Step-by-step

Large language models (LLMs) are leading significant progress in code generation. Beyond one-pass code generation, recent works further integrate unit tests and program verifiers into LLMs to iteratively refine the generated programs. However, these works consider the generated programs as an indivisible entity, which falls short for LLMs in debugging the programs, especially when the programs contain complex logic flows and data operations. In contrast, when human developers debug programs, they typically set breakpoints and selectively examine runtime execution information. The execution flow and the intermediate variables play a crucial role in the debugging process, yet they are underutilized in the existing literature on code generation. In this study, we introduce Large Language Model Debugger (LDB), a novel debugging framework that enables LLMs to refine their generated programs with the runtime execution information. Specifically, LDB segments the programs into basic blocks and tracks the values of intermediate variables after each block throughout the runtime execution. This allows LLMs to concentrate on simpler code units within the overall execution flow, verify their correctness against the task description block by block, and efficiently pinpoint any potential errors. Experiments demonstrate that LDB consistently enhances the baseline performance by up to 9.8% across the HumanEval, MBPP, and TransCoder benchmarks, archiving new state-of-the-art performance in code debugging for various LLM selections.

  • 3 authors
·
Feb 24, 2024

TRACE: Task-Adaptive Reasoning and Representation Learning for Universal Multimodal Retrieval

Universal Multimodal Retrieval requires unified embedding models capable of interpreting diverse user intents, ranging from simple keywords to complex compositional instructions. While Multimodal Large Language Models (MLLMs) possess strong reasoning capabilities, prevailing adaptations confine them to static encoders, underutilizing their generative potential. This encoder-only paradigm struggles with complex intents that demand logical deduction rather than superficial pattern matching. To address this, we introduce TRACE (Task-adaptive Reasoning And Compressing Embeddings). TRACE unifies generative reasoning with discriminative representation learning. It first generates a structured Chain-of-Thought (CoT) to explicitly reason about the query, and subsequently compresses this reasoning trace into a compact embedding via a dedicated token. To train this framework, we construct M-BEIR-CoT, a large-scale dataset featuring a difficulty-aware routing strategy. Experiments on the M-BEIR benchmark establish TRACE as the new state-of-the-art. Crucially, TRACE demonstrates a learned implicit routing behavior. It autonomously activates reasoning for complex queries while bypassing it for simpler ones, achieving an optimal balance between retrieval accuracy and inference throughput. Furthermore, by internalizing the deductive process, TRACE exhibits remarkable zero-shot transferability to unseen domains and novel constraints.

  • 6 authors
·
Mar 3

Vibe Checker: Aligning Code Evaluation with Human Preference

Large Language Models (LLMs) have catalyzed vibe coding, where users leverage LLMs to generate and iteratively refine code through natural language interactions until it passes their vibe check. Vibe check is tied to real-world human preference and goes beyond functionality: the solution should feel right, read cleanly, preserve intent, and remain correct. However, current code evaluation remains anchored to pass@k and captures only functional correctness, overlooking the non-functional instructions that users routinely apply. In this paper, we hypothesize that instruction following is the missing piece underlying vibe check that represents human preference in coding besides functional correctness. To quantify models' code instruction following capabilities with measurable signals, we present VeriCode, a taxonomy of 30 verifiable code instructions together with corresponding deterministic verifiers. We use the taxonomy to augment established evaluation suites, resulting in Vibe Checker, a testbed to assess both code instruction following and functional correctness. Upon evaluating 31 leading LLMs, we show that even the strongest models struggle to comply with multiple instructions and exhibit clear functional regression. Most importantly, a composite score of functional correctness and instruction following correlates the best with human preference, with the latter emerging as the primary differentiator on real-world programming tasks. Our work identifies core factors of the vibe check, providing a concrete path for benchmarking and developing models that better align with user preferences in coding.

deepmind Deepmind
·
Oct 8, 2025 2

TRACE: Capability-Targeted Agentic Training

Large Language Models (LLMs) deployed in agentic environments must exercise multiple capabilities across different task instances, where a capability is performing one or more actions in a trajectory that are necessary for successfully solving a subset of tasks in the environment. Many existing approaches either rely on synthetic training data that is not targeted to the model's actual capability deficits in the target environment or train directly on the target environment, where the model needs to implicitly learn the capabilities across tasks. We introduce TRACE (Turning Recurrent Agent failures into Capability-targeted training Environments), an end-to-end system for environment-specific agent self-improvement. TRACE contrasts successful and failed trajectories to automatically identify lacking capabilities, synthesizes a targeted training environment for each that rewards whether the capability was exercised, and trains a LoRA adapter via RL on each synthetic environment, routing to the relevant adapter at inference. Empirically, TRACE generalizes across different environments, improving over the base agent by +14.1 points on τ^2-bench (customer service) and +7 perfect scores on ToolSandbox (tool use), outperforming the strongest baseline by +7.4 points and +4 perfect scores, respectively. Given the same number of rollouts, TRACE scales more efficiently than baselines, outperforming GRPO and GEPA by +9.2 and +7.4 points on τ^2-bench.

SURGE: On the Potential of Large Language Models as General-Purpose Surrogate Code Executors

Large language models (LLMs) have demonstrated remarkable capabilities in code-related tasks, such as code understanding and code generation. However, an equally important yet underexplored question is whether LLMs can serve as general-purpose surrogate code executors, to predict the output and behavior of a program without actually running it. To systematically investigate this capability, we introduce SURGE, a comprehensive benchmark covering eight key aspects: multi-language programming tasks, competition-level programming problems, repository-level code analysis, high-cost scientific computing, time-complexity-intensive algorithms, buggy code analysis, programs dependent on specific compilers or execution environments, and formal mathematical proof verification. We evaluate multiple open-source and proprietary LLMs on SURGE and conduct a scaling study to analyze the impact of model size and training data scale on surrogate execution accuracy. Additionally, we categorize model prediction errors and explore potential areas for improvement. Our findings indicate that while LLMs can predict code execution results in certain cases, they exhibit limitations in general-purpose surrogate execution. This study provides empirical insights into the feasibility of using LLMs as surrogate code executors. Code and dataset are released at https://github.com/Imbernoulli/SURGE.

  • 3 authors
·
Feb 16, 2025 2

Evaluation of OpenAI Codex for HPC Parallel Programming Models Kernel Generation

We evaluate AI-assisted generative capabilities on fundamental numerical kernels in high-performance computing (HPC), including AXPY, GEMV, GEMM, SpMV, Jacobi Stencil, and CG. We test the generated kernel codes for a variety of language-supported programming models, including (1) C++ (e.g., OpenMP [including offload], OpenACC, Kokkos, SyCL, CUDA, and HIP), (2) Fortran (e.g., OpenMP [including offload] and OpenACC), (3) Python (e.g., numba, Numba, cuPy, and pyCUDA), and (4) Julia (e.g., Threads, CUDA.jl, AMDGPU.jl, and KernelAbstractions.jl). We use the GitHub Copilot capabilities powered by OpenAI Codex available in Visual Studio Code as of April 2023 to generate a vast amount of implementations given simple <kernel> + <programming model> + <optional hints> prompt variants. To quantify and compare the results, we propose a proficiency metric around the initial 10 suggestions given for each prompt. Results suggest that the OpenAI Codex outputs for C++ correlate with the adoption and maturity of programming models. For example, OpenMP and CUDA score really high, whereas HIP is still lacking. We found that prompts from either a targeted language such as Fortran or the more general-purpose Python can benefit from adding code keywords, while Julia prompts perform acceptably well for its mature programming models (e.g., Threads and CUDA.jl). We expect for these benchmarks to provide a point of reference for each programming model's community. Overall, understanding the convergence of large language models, AI, and HPC is crucial due to its rapidly evolving nature and how it is redefining human-computer interactions.

  • 5 authors
·
Jun 26, 2023

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

TRACEALIGN -- Tracing the Drift: Attributing Alignment Failures to Training-Time Belief Sources in LLMs

Large Language Models (LLMs) fine-tuned to align with human values often exhibit alignment drift, producing unsafe or policy-violating completions when exposed to adversarial prompts, decoding perturbations, or paraphrased jailbreaks. While prior work has behaviorally characterized alignment failure, little is known about the training-time belief sources underlying these failures. We introduce TraceAlign, a unified framework for tracing unsafe completions back to their root causes in the model's training corpus. Central to our approach is the Belief Conflict Index (BCI), which quantifies semantic inconsistency between generated spans and aligned policies, based on retrieved training documents using suffix-array matching. We propose three complementary interventions: (i) TraceShield, an inference-time safety filter that refuses completions with high-BCI spans, (ii) Contrastive Belief Deconfliction Loss, a contrastive fine-tuning objective penalizing high-BCI continuations during DPO, and (iii) Prov-Decode, a provenance-aware decoding strategy that vetoes beam expansions predicted to yield high-BCI spans. Together, these defenses reduce alignment drift by up to 85% on our curated Alignment Drift Benchmark (ADB) while preserving utility on standard tasks, with delta less than 0.2 and improved refusal quality. We further derive a theoretical upper bound on drift likelihood via suffix-array span statistics, linking memorization frequency and length to adversarial reactivation risk. TraceAlign thus provides the first scalable, traceable, and grounded toolkit for understanding and mitigating alignment failures at source. To encourage further exploration and development, we open-source our implementation at: https://anonymous.4open.science/r/tracealign-2DA7

  • 3 authors
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Aug 4, 2025 2

ViTAD: Timing Violation-Aware Debugging of RTL Code using Large Language Models

In modern Very Large Scale Integrated (VLSI) circuit design flow, the Register-Transfer Level (RTL) stage presents a critical opportunity for timing optimization. Addressing timing violations at this early stage is essential, as modern systems demand higher speeds, where even minor timing violations can lead to functional failures or system crashes. However, traditional timing optimization heavily relies on manual expertise, requiring engineers to iteratively analyze timing reports and debug. To automate this process, this paper proposes ViTAD, a method that efficiently analyzes the root causes of timing violations and dynamically generates targeted repair strategies. Specifically, we first parse Verilog code and timing reports to construct a Signal Timing Dependency Graph (STDG). Based on the STDG, we perform violation path analysis and use large language models (LLMs) to infer the root causes of violations. Finally, by analyzing the causes of violations, we selectively retrieve relevant debugging knowledge from a domain-specific knowledge base to generate customized repair solutions. To evaluate the effectiveness of our method, we construct a timing violation dataset based on real-world open-source projects. This dataset contains 54 cases of violations. Experimental results show that our method achieves a 73.68% success rate in repairing timing violations, while the baseline using only LLM is 54.38%. Our method improves the success rate by 19.30%.

  • 4 authors
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Aug 18, 2025

Teaching Large Language Models to Self-Debug

Large language models (LLMs) have achieved impressive performance on code generation. However, for complex programming tasks, generating the correct solution in one go becomes challenging, thus some prior works have designed program repair approaches to improve code generation performance. In this work, we propose Self-Debugging, which teaches a large language model to debug its predicted program via few-shot demonstrations. In particular, we demonstrate that Self-Debugging can teach the large language model to perform rubber duck debugging; i.e., without any feedback on the code correctness or error messages, the model is able to identify its mistakes by explaining the generated code in natural language. Self-Debugging achieves the state-of-the-art performance on several code generation benchmarks, including the Spider dataset for text-to-SQL generation, TransCoder for C++-to-Python translation, and MBPP for text-to-Python generation. On the Spider benchmark where there are no unit tests to verify the correctness of predictions, Self-Debugging with code explanation consistently improves the baseline by 2-3%, and improves the prediction accuracy on problems of the hardest label by 9%. On TransCoder and MBPP where unit tests are available, Self-Debugging improves the baseline accuracy by up to 12%. Meanwhile, by leveraging feedback messages and reusing failed predictions, Self-Debugging notably improves sample efficiency, and can match or outperform baseline models that generate more than 10x candidate programs.

  • 4 authors
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Apr 11, 2023

Training Language Models on Synthetic Edit Sequences Improves Code Synthesis

Software engineers mainly write code by editing existing programs. In contrast, large language models (LLMs) autoregressively synthesize programs in a single pass. One explanation for this is the scarcity of open-sourced edit data. While high-quality instruction data for code synthesis is already scarce, high-quality edit data is even scarcer. To fill this gap, we develop a synthetic data generation algorithm called LintSeq. This algorithm refactors existing code into a sequence of code edits by using a linter to procedurally sample across the error-free insertions that can be used to sequentially write programs. It outputs edit sequences as text strings consisting of consecutive program diffs. To test LintSeq, we use it to refactor a dataset of instruction + program pairs into instruction + program-diff-sequence tuples. Then, we instruction finetune a series of smaller LLMs ranging from 2.6B to 14B parameters on both the re-factored and original versions of this dataset, comparing zero-shot performance on code synthesis benchmarks. We show that during repeated sampling, edit sequence finetuned models produce more diverse programs than baselines. This results in better inference-time scaling for benchmark coverage as a function of samples, i.e. the fraction of problems "pass@k" solved by any attempt given "k" tries. For example, on HumanEval pass@50, small LLMs finetuned on synthetic edit sequences are competitive with GPT-4 and outperform models finetuned on the baseline dataset by +20% (+/-3%) in absolute score. Finally, we also pretrain our own tiny LMs for code understanding. We show that finetuning tiny models on synthetic code edits results in state-of-the-art code synthesis for the on-device model class. Our 150M parameter edit sequence LM matches or outperforms code models with twice as many parameters, both with and without repeated sampling, including Codex and AlphaCode.

  • 3 authors
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Oct 3, 2024 3

An Interdisciplinary Comparison of Sequence Modeling Methods for Next-Element Prediction

Data of sequential nature arise in many application domains in forms of, e.g. textual data, DNA sequences, and software execution traces. Different research disciplines have developed methods to learn sequence models from such datasets: (i) in the machine learning field methods such as (hidden) Markov models and recurrent neural networks have been developed and successfully applied to a wide-range of tasks, (ii) in process mining process discovery techniques aim to generate human-interpretable descriptive models, and (iii) in the grammar inference field the focus is on finding descriptive models in the form of formal grammars. Despite their different focuses, these fields share a common goal - learning a model that accurately describes the behavior in the underlying data. Those sequence models are generative, i.e, they can predict what elements are likely to occur after a given unfinished sequence. So far, these fields have developed mainly in isolation from each other and no comparison exists. This paper presents an interdisciplinary experimental evaluation that compares sequence modeling techniques on the task of next-element prediction on four real-life sequence datasets. The results indicate that machine learning techniques that generally have no aim at interpretability in terms of accuracy outperform techniques from the process mining and grammar inference fields that aim to yield interpretable models.

  • 3 authors
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Oct 31, 2018

SWE-TRACE: Optimizing Long-Horizon SWE Agents Through Rubric Process Reward Models and Heuristic Test-Time Scaling

Resolving real-world software engineering (SWE) issues with autonomous agents requires complex, long-horizon reasoning. Current pipelines are bottlenecked by unoptimized demonstration data, sparse execution rewards, and computationally prohibitive inference scaling, which collectively exacerbate token bloat, reward hacking, and policy degradation. We present SWE-TRACE (Trajectory Reduction and Agentic Criteria Evaluation), a unified framework optimizing the SWE agent lifecycle across data curation, reinforcement learning (RL), and test-time inference. First, we introduce an LLM multi-task cascading method, utilizing stepwise oracle verification to distill a 60K-instance Supervised Fine-Tuning (SFT) corpus strictly biased toward token-efficient, shortest-path trajectories. Second, to overcome the instability of sparse outcome rewards, we design a MemoryAugmented Agentic RL pipeline featuring a Rubric-Based Process Reward Model (PRM). An auxiliary Rubric-Agent provides dense, fine-grained heuristic feedback on intermediate steps, guiding the model through long-horizon tasks. Finally, we bridge training and inference by repurposing the PRM for heuristic-guided Test-Time Scaling (TTS). By dynamically evaluating and pruning action candidates at each step, SWE-TRACE achieves superior search efficiency without the latency overhead of standard parallel sampling. Extensive experiments on standard SWE benchmarks demonstrate that SWE-TRACE significantly advances the state-of-the-art, maximizing resolution rates while drastically reducing both token consumption and inference latency.

  • 8 authors
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Apr 15

Towards a Neural Debugger for Python

Training large language models (LLMs) on Python execution traces grounds them in code execution and enables the line-by-line execution prediction of whole Python programs, effectively turning them into neural interpreters (FAIR CodeGen Team et al., 2025). However, developers rarely execute programs step by step; instead, they use debuggers to stop execution at certain breakpoints and step through relevant portions only while inspecting or modifying program variables. Existing neural interpreter approaches lack such interactive control. To address this limitation, we introduce neural debuggers: language models that emulate traditional debuggers, supporting operations such as stepping into, over, or out of functions, as well as setting breakpoints at specific source lines. We show that neural debuggers -- obtained via fine-tuning large LLMs or pre-training smaller models from scratch -- can reliably model both forward execution (predicting future states and outputs) and inverse execution (inferring prior states or inputs) conditioned on debugger actions. Evaluated on CruxEval, our models achieve strong performance on both output and input prediction tasks, demonstrating robust conditional execution modeling. Our work takes first steps towards future agentic coding systems in which neural debuggers serve as a world model for simulated debugging environments, providing execution feedback or enabling agents to interact with real debugging tools. This capability lays the foundation for more powerful code generation, program understanding, and automated debugging.

Semantic Probabilistic Control of Language Models

Semantic control entails steering LM generations towards satisfying subtle non-lexical constraints, e.g., toxicity, sentiment, or politeness, attributes that can be captured by a sequence-level verifier. It can thus be viewed as sampling from the LM distribution conditioned on the target attribute, a computationally intractable problem due to the non-decomposable nature of the verifier. Existing approaches to LM control either only deal with syntactic constraints which cannot capture the aforementioned attributes, or rely on sampling to explore the conditional LM distribution, an ineffective estimator for low-probability events. In this work, we leverage a verifier's gradient information to efficiently reason over all generations that satisfy the target attribute, enabling precise steering of LM generations by reweighing the next-token distribution. Starting from an initial sample, we create a local LM distribution favoring semantically similar sentences. This approximation enables the tractable computation of an expected sentence embedding. We use this expected embedding, informed by the verifier's evaluation at the initial sample, to estimate the probability of satisfying the constraint, which directly informs the update to the next-token distribution. We evaluated the effectiveness of our approach in controlling the toxicity, sentiment, and topic-adherence of LMs yielding generations satisfying the constraint with high probability (>95%) without degrading their quality.

  • 4 authors
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May 3, 2025

RuC: HDL-Agnostic Rule Completion Benchmark Generation

Large Language Models (LLMs) have rapidly improved in performance across code-related tasks, making their integration into Register Transfer Level (RTL) development increasingly attractive. Mimicking the behavior of inline code assistants, many benchmarks evaluate LLMs' capabilities in code completion, either assessing the generation of entire hardware modules or the completion of a single line within a module. However both of these approaches lack the ability to control the granularity of the code-completion sample size and the syntactic range of completions. To overcome these limitations, we present a framework for language-agnostic rule completion (RuC), a grammar-driven, rule-selectable benchmark generator that automatically produces RTL code-completion tasks from a set of input hardware description sources. RuC uses the target Hardware Description Language (HDL) grammar to mask syntactically defined code regions and prompts a model to regenerate them using the surrounding unmasked code as context, enabling a controlled and scalable evaluation of the domain-specific model's code-understanding capabilities, ranging from assignments to the reconstruction of entire logic blocks. We use RuC to generate two SystemVerilog rule-completion benchmarks from the Tiny Tapeout shuttle TT07 and the CVE2 RISC-V core to demonstrate RuC's applicability to a broad range of designs, and conduct a comparative study of the code completion capabilities of modern open-source LLMs across diverse settings. Results indicate that completion performance strongly depends on the model type, the grammatical structure of the masked region, and the prompting strategy. Specifically, the highest scores are obtained with Fill-in-the-Middle (FIM) prompting. These findings highlight the value of grammar-driven, arbitrarily granular benchmarks for meaningful evaluation of LLM capabilities in RTL development workflows.

  • 8 authors
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Apr 29