Daily Papers

Perovskite solar cells (PSCs) have rapidly emerged as a leading contender in next-generation photovoltaic technologies, owing to their exceptional power conversion efficiencies and advantageous material properties. Despite these advances, challenges such as long-term stability, environmental sustainability, and scalable manufacturing continue to hinder their commercialization. Precursor additive engineering has shown promise in addressing these issues by enhancing both the performance and durability of PSCs. However, the explosive growth of scientific literature and the complex interplay of materials, processes, and device architectures make it increasingly difficult for researchers to efficiently access, organize, and utilize domain knowledge in this rapidly evolving field. To address this gap, we introduce Perovskite-R1, a specialized large language model (LLM) with advanced reasoning capabilities tailored for the discovery and design of PSC precursor additives. By systematically mining and curating 1,232 high-quality scientific publications and integrating a comprehensive library of 33,269 candidate materials, we constructed a domain-specific instruction-tuning dataset using automated question-answer generation and chain-of-thought reasoning. Fine-tuning the QwQ-32B model on this dataset resulted in Perovskite-R1, which can intelligently synthesize literature insights and generate innovative and practical solutions for defect passivation and the selection of precursor additives. Experimental validation of several model-proposed strategies confirms their effectiveness in improving material stability and performance. Our work demonstrates the potential of domain-adapted LLMs in accelerating materials discovery and provides a closed-loop framework for intelligent, data-driven advancements in perovskite photovoltaic research.

Developing effective visual inspection models remains challenging due to the scarcity of defect data. While image generation models have been used to synthesize defect images, producing highly realistic defects remains difficult. We propose DefectFill, a novel method for realistic defect generation that requires only a few reference defect images. It leverages a fine-tuned inpainting diffusion model, optimized with our custom loss functions incorporating defect, object, and attention terms. It enables precise capture of detailed, localized defect features and their seamless integration into defect-free objects. Additionally, our Low-Fidelity Selection method further enhances the defect sample quality. Experiments show that DefectFill generates high-quality defect images, enabling visual inspection models to achieve state-of-the-art performance on the MVTec AD dataset.

Large language models increasingly write and repair production code, yet evidence is mounting that their test-passing patches leave codebases harder to maintain. We identify one concrete source: deletion avoidance, the systematic tendency to retain code that an intended edit requires removing. Across the five leading models on the official SWE-bench Verified leaderboard, deletion recall against the developer patch reaches at most 71.7% even on tasks all five solve, and models reach the right file for over 92% of required deletions but cut the exact line in under 52% of cases. Instead, 29.0% of passing patches wrap the targeted code in a guard or fallback, a pattern we call Guard-and-Go. Such patches pass because the original tests rarely check removal: when we retrofit 34 Verified tasks with tests that fail if the targeted code remains, four frontier models spanning closed and open weights fall from 63.2% to 41.9%. Because real repairs mix removal with addition, we curate CanItDelete, a benchmark of 200 tasks mined from real commits whose entire required edit is deletion. Even with the addition work gone, the best model still fails one task in five, and smaller open models fall to 18.0%. We then ablate GPT-5.6 Sol under four cumulative prompts; success moves little until we supply the exact lines, which nearly eliminate incomplete deletion yet raise success only to 80.5% because the model then deletes beyond the spans or adds code instead. Finally, through a pilot study we show one potential fix: teaching deletion during post-training reduces deletion avoidance and improves broader code-editing performance, suggesting the behavior is undertrained rather than beyond reach.

Understanding electron irradiation effects is vital not only for reliable transmission electron microscopy characterization, but increasingly also for the controlled manipulation of two-dimensional materials. The displacement cross sections of monolayer hBN are measured using aberration-corrected scanning transmission electron microscopy in near ultra-high vacuum at primary beam energies between 50 and 90 keV. Damage rates below 80 keV are up to three orders of magnitude lower than previously measured at edges under poorer residual vacuum conditions where chemical etching appears to have been dominant. Notably, is possible to create single vacancies in hBN using electron irradiation, with boron almost twice as likely as nitrogen to be ejected below 80 keV. Moreover, any damage at such low energies cannot be explained by elastic knock-on, even when accounting for vibrations of the atoms. A theoretical description is developed to account for lowering of the displacement threshold due to valence ionization resulting from inelastic scattering of probe electrons, modelled using charge-constrained density functional theory molecular dynamics. Although significant reductions are found depending on the constrained charge, quantitative predictions for realistic ionization states are currently not possible. Nonetheless, there is potential for defect-engineering of hBN at the level of single vacancies using electron irradiation.

Too many defective compute chips are escaping existing manufacturing tests -- at least an order of magnitude more than industrial targets across all compute chip types in data centers. Silent data corruptions (SDCs) caused by test escapes, when left unaddressed, pose a major threat to reliable computing. We present a three-pronged approach outlining future directions for overcoming test escapes: (a) Quick diagnosis of defective chips directly from system-level incorrect behaviors. Such diagnosis is critical for gaining insights into why so many defective chips escape existing manufacturing testing. (b) In-field detection of defective chips. (c) New test experiments to understand the effectiveness of new techniques for detecting defective chips. These experiments must overcome the drawbacks and pitfalls of previous industrial test experiments and case studies.

Recent advancements in quality control across various industries have increasingly utilized the integration of video cameras and image processing for effective defect detection. A critical barrier to progress is the scarcity of comprehensive datasets featuring annotated defects, which are essential for developing and refining automated defect detection models. This systematic review, spanning from 2015 to 2023, identifies 15 publicly available datasets and critically examines them to assess their effectiveness and applicability for benchmarking and model development. Our findings reveal a diverse landscape of datasets, such as NEU-CLS, NEU-DET, DAGM, KolektorSDD, PCB Defect Dataset, and the Hollow Cylindrical Defect Detection Dataset, each with unique strengths and limitations in terms of image quality, defect type representation, and real-world applicability. The goal of this systematic review is to consolidate these datasets in a single location, providing researchers who seek such publicly available resources with a comprehensive reference.

Defect inspection is paramount within the closed-loop manufacturing system. However, existing datasets for defect inspection often lack precision and semantic granularity required for practical applications. In this paper, we introduce the Defect Spectrum, a comprehensive benchmark that offers precise, semantic-abundant, and large-scale annotations for a wide range of industrial defects. Building on four key industrial benchmarks, our dataset refines existing annotations and introduces rich semantic details, distinguishing multiple defect types within a single image. Furthermore, we introduce Defect-Gen, a two-stage diffusion-based generator designed to create high-quality and diverse defective images, even when working with limited datasets. The synthetic images generated by Defect-Gen significantly enhance the efficacy of defect inspection models. Overall, The Defect Spectrum dataset demonstrates its potential in defect inspection research, offering a solid platform for testing and refining advanced models.

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.

Production LLM-agent frameworks expose control primitives -- human-in-the-loop approval gates, run cancellation, and execution timeouts -- whose names and documentation imply barrier semantics: while a run is paused, cancelled, or timed out, no gated side effect executes. We show this implied contract holds on none of the six widely used open-source frameworks we test. Model-free differential probes isolate a recurring sibling leak -- an approval gate suspends its own branch while a sibling branch's effect executes during the pause, so a later rejection cannot prevent it -- in every framework shipping a pre-execution gate (five of six), plus three further gaps: replay double-execution, cancellation orphans, and timeout zombies. The hazard is reachable, not merely constructible: under an a-priori-fixed protocol, frontier models emit the leak-triggering plan shape at pooled rates up to 14%, and when live models drive the unmodified frameworks under an approval pause, 215 of 1,200 runs execute their effect during the pause, across three schedulers and two language runtimes. To repair the measured gaps we present SOUNDGATE, an environment-external effect gate in Rust through which every side effect must be admitted, enforcing hold-until-decided, reject-cancels, dedup-on-replay, and fence-on-cancel -- one property per violation class -- under a stated complete-mediation contract discharged for network egress by kernel-enforced routes. We verify the properties over a model of the admission core (Verus; TLA+/TLC, exhaustive to 7.5e7 states; TLAPS), model-check the deployed Rust with Loom, and bridge model to code by differential conformance over 1.2e7 operations -- refinement evidence, not a mechanized proof. SOUNDGATE blocks every measured violation end-to-end on all six frameworks while releasing legitimate effects, at about 1 ms admission per write and 12k-26k durable admissions per second.

Large language models (LLMs) are effective for automated program repair, but plausible patches that pass the full test suite often rewrite more code than necessary, increasing review and maintenance costs. This over-editing is common because most bugs are localized, while standard supervised fine-tuning provides no explicit signal about which tokens should be preserved and which should be changed. We propose PAFT, a preservation-aware fine-tuning method for minimal-edit program repair. PAFT derives token-level preservation signals by aligning buggy and fixed code, combines them with full-sequence masking, and applies an edit-difficulty curriculum. Across Defects4J and HumanEval-Java, PAFT improves pass@1 by up to 65.6% over standard supervised fine-tuning (StdFT) while reducing average edit distance (AED) by up to 32.6%. On Defects4J with DeepSeek-Coder-6.7B, PAFT also outperforms AdaPatcher, a strong preference-based repair baseline, improving pass@1 from 5.9% to 10.1% while reducing median AED from 61.0 to 42.0. Overall, PAFT preserves stable context and concentrates edits on faulty regions, yielding smaller, more localized, plausible patches without inference-time search, reranking, or post-processing.

Facing with grave climate change and enormous energy demand, catalyzer gets more and more important due to its significant effect on reducing fossil fuels consumption. Hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) by water splitting are feasible ways to produce clean sustainable energy. Here we systematically explored atomic structures and related STM images of Se defects in PtSe2. The equilibrium fractions of vacancies under variable conditions were detailly predicted. Besides, we found the vacancies are highly kinetic stable, without recovering or aggregation. The Se vacancies in PtSe2 can dramatically enhance the HER performance, comparing with, even better than Pt(111). Beyond, we firstly revealed that PtSe2 monolayer with Se vacancies is also a good OER catalyst. The excellent bipolar catalysis of Se vacancies were further confirmed by experimental measurements. We produced defective PtSe2 by direct selenization of Pt foil at 773 K using a CVD process. Then we observed the HER and OER performance of defective PtSe2 is much highly efficient than Pt foils by a series of measurements. Our work with compelling theoretical and experimental studies indicates PtSe2 with Se defects is an ideal bipolar candidate for HER and OER.

As the globalization of semiconductor design and manufacturing processes continues, the demand for defect detection during integrated circuit fabrication stages is becoming increasingly critical, playing a significant role in enhancing the yield of semiconductor products. Traditional wafer map defect pattern detection methods involve manual inspection using electron microscopes to collect sample images, which are then assessed by experts for defects. This approach is labor-intensive and inefficient. Consequently, there is a pressing need to develop a model capable of automatically detecting defects as an alternative to manual operations. In this paper, we propose a method that initially employs a pre-trained VAE model to obtain the fault distribution information of the wafer map. This information serves as guidance, combined with the original image set for semi-supervised model training. During the semi-supervised training, we utilize a teacher-student network for iterative learning. The model presented in this paper is validated on the benchmark dataset WM-811K wafer dataset. The experimental results demonstrate superior classification accuracy and detection performance compared to state-of-the-art models, fulfilling the requirements for industrial applications. Compared to the original architecture, we have achieved significant performance improvement.

Existing defect/anomaly generation methods often rely on few-shot learning, which overfits to specific defect categories due to the lack of large-scale paired defect editing data. This issue is aggravated by substantial variations in defect scale and morphology, resulting in limited generalization, degraded realism, and category consistency. We address these challenges by introducing UDG, a large-scale dataset of 300K normal-abnormal-mask-caption quadruplets spanning diverse domains, and by presenting UniDG, a universal defect generation foundation model that supports both reference-based defect generation and text instruction-based defect editing without per-category fine-tuning. UniDG performs Defect-Context Editing via adaptive defect cropping and structured diptych input format, and fuses reference and target conditions through MM-DiT multimodal attention. A two-stage training strategy, Diversity-SFT followed by Consistency-RFT, further improves diversity while enhancing realism and reference consistency. Extensive experiments on MVTec-AD and VisA show that UniDG outperforms prior few-shot anomaly generation and image insertion/editing baselines in synthesis quality and downstream single- and multi-class anomaly detection/localization. Code will be available at https://github.com/RetoFan233/UniDG.

Kernel generation for hardware accelerators such as GPUs and NPUs has become a proving ground for large language models (LLMs), and state-of-the-art systems raise correctness through pipelines that couple LLMs with agentic reinforcement learning and evolutionary search. Such pipelines generate, compile, and execute large numbers of candidate kernels, discarding most of them and forgoing the opportunity to distill failures into reusable knowledge. Many discarded candidates are near-miss operators that compile and run but fail numerical validation; each embodies genuine domain knowledge and a nontrivial investment in LLM inference, cross-compilation, and hardware execution. We argue for a paradigm shift: rather than regenerate, debug. Debugging is far more constrained than generating from scratch: the search space is small and feedback is dense. We present a domain-specific debug agent that addresses three core challenges in autonomous repair: mitigating knowledge scarcity through retrieved patterns and diagnostic instrumentation, ensuring integrity through anti-cheat detection and full-coverage evaluation, and controlling cost via convergence guards and bounded iteration. Debugging serves two complementary roles: it extends the capability frontier by recovering operators that repeated regeneration fails to produce, and it lowers cost per deliverable operator. Debug Pass@1 achieves 66.7% versus Regenerate Avg Pass@1's 25.9% and Regenerate Pass@3's 40.7%, while consuming 92.8% fewer tokens per success than three-trial regeneration. Component ablations show that the knowledge base drives recovery, while integrity gates reject 12.5-33.3% of the successes the workflow itself accepted.

Internal defect detection constitutes a critical process in ensuring component quality, for which anomaly detection serves as an effective solution. However, existing anomaly detection datasets predominantly focus on surface defects in visible-light images, lacking publicly available X-ray datasets targeting internal defects in components. To address this gap, we construct the first publicly accessible component X-ray anomaly detection (CXR-AD) dataset, comprising real-world X-ray images. The dataset covers five industrial component categories, including 653 normal samples and 561 defect samples with precise pixel-level mask annotations. We systematically analyze the dataset characteristics and identify three major technical challenges: (1) strong coupling between complex internal structures and defect regions, (2) inherent low contrast and high noise interference in X-ray imaging, and (3) significant variations in defect scales and morphologies. To evaluate dataset complexity, we benchmark three state-of-the-art anomaly detection frameworks (feature-based, reconstruction-based, and zero-shot learning methods). Experimental results demonstrate a 29.78% average performance degradation on CXR-AD compared to MVTec AD, highlighting the limitations of current algorithms in handling internal defect detection tasks. To the best of our knowledge, CXR-AD represents the first publicly available X-ray dataset for component anomaly detection, providing a real-world industrial benchmark to advance algorithm development and enhance precision in internal defect inspection technologies.

Point defects play a central role in driving the properties of materials. First-principles methods are widely used to compute defect energetics and structures, including at scale for high-throughput defect databases. However, these methods are computationally expensive, making machine-learning force fields (MLFFs) an attractive alternative for accelerating structural relaxations. Most existing MLFFs are based on graph neural networks (GNNs), which can suffer from oversmoothing and poor representation of long-range interactions. Both of these issues are especially of concern when modeling point defects. To address these challenges, we introduce the Accelerated Deep Atomic Potential Transformer (ADAPT), an MLFF that replaces graph representations with a direct coordinates-in-space formulation and explicitly considers all pairwise atomic interactions. Atoms are treated as tokens, with a Transformer encoder modeling their interactions. Applied to a dataset of silicon point defects, ADAPT achieves a roughly 33 percent reduction in both force and energy prediction errors relative to a state-of-the-art GNN-based model, while requiring only a fraction of the computational cost.

Large Language Models (LLMs) have shown remarkable aptitude in code generation but still struggle on challenging programming tasks. Self-repair -- in which the model debugs and fixes mistakes in its own code -- has recently become a popular way to boost performance in these settings. However, only very limited studies on how and when self-repair works effectively exist in the literature, and one might wonder to what extent a model is really capable of providing accurate feedback on why the code is wrong when that code was generated by the same model. In this paper, we analyze GPT-3.5 and GPT-4's ability to perform self-repair on APPS, a challenging dataset consisting of diverse coding challenges. To do so, we first establish a new evaluation strategy dubbed pass@t that measures the pass rate of the tasks against the total number of tokens sampled from the model, enabling a fair comparison to purely sampling-based approaches. With this evaluation strategy, we find that the effectiveness of self-repair is only seen in GPT-4. We also observe that self-repair is bottlenecked by the feedback stage; using GPT-4 to give feedback on the programs generated by GPT-3.5 and using expert human programmers to give feedback on the programs generated by GPT-4, we unlock significant performance gains.

Software testing is a critical, yet resource-intensive phase of the software development lifecycle. Over the years, various automated tools have been developed to aid in this process. Search-based approaches typically achieve high coverage but produce tests with low readability, whereas large language model (LLM)-based methods generate more human-readable tests but often suffer from low coverage and compilability. While the majority of research efforts have focused on improving test coverage and readability, little attention has been paid to enhancing the robustness of bug detection, particularly in exposing corner cases and vulnerable execution paths. To address this gap, we propose AdverTest, a novel adversarial framework for LLM-powered test case generation. AdverTest comprises two interacting agents: a test case generation agent (T) and a mutant generation agent (M). These agents engage in an adversarial loop, where M persistently creates new mutants "hacking" the blind spots of T's current test suite, while T iteratively refines its test cases to "kill" the challenging mutants produced by M. This interaction loop is guided by both coverage and mutation scores, enabling the system to co-evolve toward both high test coverage and bug detection capability. Experimental results in the Defects4J dataset show that our approach improves fault detection rates by 8.56% over the best existing LLM-based methods and by 63.30% over EvoSuite, while also improving line and branch coverage.

Automated issue solving aims to resolve real-world issues in software repositories. The most popular benchmarks for automated issue solving are SWE-bench and its human-filtered subset SWE-bench Verified. These benchmarks leverage testing to validate generated patches. However, because testing is rarely exhaustive, a patch may pass the tests but nevertheless fail to match the developers' expectations. Unfortunately, it is currently unclear to what extent evaluations performed with SWE-bench suffer from such plausible but incorrect patches. This paper presents an in-depth empirical study of the correctness of plausible patches generated by three state-of-the-art issue-solving tools evaluated on SWE-bench Verified. We extensively test and inspect generated patches, and compare them against human-written ground truth patches. The core of our methodology is a novel technique PatchDiff for differential patch testing, which automatically exposes behavioral discrepancies between two patches. Our findings reveal critical weaknesses in SWE-bench's patch validation mechanism, which causes 7.8% of all patches to count as correct while failing the developer-written test suite. Moreover, our novel automated technique reveals that even more (29.6%) plausible patches induce different behavior than the ground truth patches. These behavioral differences are often due to similar, but divergent implementations (46.8%) and due to generated patches that adapt more behavior than the ground truth patches (27.3%). Our manual inspection shows that 28.6% of behaviorally divergent patches are certainly incorrect. Combined, the different weaknesses lead to an inflation of reported resolution rates by 6.2 absolute percent points. Our findings are a call to arms for more robust and reliable evaluation of issue-solving tools. We envision our automated differential patch testing technique to be useful for this purpose.

Text-to-image (T2I) diffusion models offer powerful visual generation, but their controllability creates a critical safety challenge: adversarial prompts can steer the denoising trajectory toward policy-violating content such as explicit nudity or graphic violence. Existing safeguards mostly act before generation through prompt filtering or after generation through image classification, leaving the diffusion process itself unguarded and often yielding only refusal rather than safe visual repair. We introduce GuardPaint, a speculative decoding framework for safe T2I generation that intervenes inside the diffusion trajectory without modifying the base model. A lightweight auditor monitors intermediate images, localizes unsafe regions, and triggers surgical inpainting repair only where needed. Candidate repairs are generated by a policy-aligned inpainter and selected through a guarded tournament that accepts edits only when they improve policy compliance while preserving prompt fidelity and perceptual quality. Across five jailbreak families SneakPrompt, MMA, PGJ, DACA, and RABell and UNet/flow-matching models including SD~1.5, SDXL, SD~3.5, and FLUX.1-dev. GuardPaint reduces attack success and harmful generations with minimal degradation to image quality, prompt fidelity, and benign behavior. Content warning: This paper contains examples involving nudity and violence that some readers may find disturbing, distressing, or offensive.

In industrial settings, surface defects on steel can significantly compromise its service life and elevate potential safety risks. Traditional defect detection methods predominantly rely on manual inspection, which suffers from low efficiency and high costs. Although automated defect detection approaches based on Convolutional Neural Networks(e.g., Mask R-CNN) have advanced rapidly, their reliability remains challenged due to data annotation uncertainties during deep model training and overfitting issues. These limitations may lead to detection deviations when processing the given new test samples, rendering automated detection processes unreliable. To address this challenge, we first evaluate the detection model's practical performance through calibration data that satisfies the independent and identically distributed (i.i.d) condition with test data. Specifically, we define a loss function for each calibration sample to quantify detection error rates, such as the complement of recall rate and false discovery rate. Subsequently, we derive a statistically rigorous threshold based on a user-defined risk level to identify high-probability defective pixels in test images, thereby constructing prediction sets (e.g., defect regions). This methodology ensures that the expected error rate (mean error rate) on the test set remains strictly bounced by the predefined risk level. Additionally, we observe a negative correlation between the average prediction set size and the risk level on the test set, establishing a statistically rigorous metric for assessing detection model uncertainty. Furthermore, our study demonstrates robust and efficient control over the expected test set error rate across varying calibration-to-test partitioning ratios, validating the method's adaptability and operational effectiveness.

The usage of electronic devices increases, and becomes predominant in most aspects of life. Surface Mount Technology (SMT) is the most common industrial method for manufacturing electric devices in which electrical components are mounted directly onto the surface of a Printed Circuit Board (PCB). Although the expansion of electronic devices affects our lives in a productive way, failures or defects in the manufacturing procedure of those devices might also be counterproductive and even harmful in some cases. It is therefore desired and sometimes crucial to ensure zero-defect quality in electronic devices and their production. While traditional Image Processing (IP) techniques are not sufficient to produce a complete solution, other promising methods like Deep Learning (DL) might also be challenging for PCB inspection, mainly because such methods require big adequate datasets which are missing, not available or not updated in the rapidly growing field of PCBs. Thus, PCB inspection is conventionally performed manually by human experts. Unsupervised Learning (UL) methods may potentially be suitable for PCB inspection, having learning capabilities on the one hand, while not relying on large datasets on the other. In this paper, we introduce ChangeChip, an automated and integrated change detection system for defect detection in PCBs, from soldering defects to missing or misaligned electronic elements, based on Computer Vision (CV) and UL. We achieve good quality defect detection by applying an unsupervised change detection between images of a golden PCB (reference) and the inspected PCB under various setting. In this work, we also present CD-PCB, a synthesized labeled dataset of 20 pairs of PCB images for evaluation of defect detection algorithms.

Precision in identifying nanometer-scale device-killer defects is crucial in both semiconductor research and development as well as in production processes. The effectiveness of existing ML-based approaches in this context is largely limited by the scarcity of data, as the production of real semiconductor wafer data for training these models involves high financial and time costs. Moreover, the existing simulation methods fall short of replicating images with identical noise characteristics, surface roughness and stochastic variations at advanced nodes. We propose a method for generating synthetic semiconductor SEM images using a diffusion model within a limited data regime. In contrast to images generated through conventional simulation methods, SEM images generated through our proposed DL method closely resemble real SEM images, replicating their noise characteristics and surface roughness adaptively. Our main contributions, which are validated on three different real semiconductor datasets, are: i) proposing a patch-based generative framework utilizing DDPM to create SEM images with intended defect classes, addressing challenges related to class-imbalance and data insufficiency, ii) demonstrating generated synthetic images closely resemble real SEM images acquired from the tool, preserving all imaging conditions and metrology characteristics without any metadata supervision, iii) demonstrating a defect detector trained on generated defect dataset, either independently or combined with a limited real dataset, can achieve similar or improved performance on real wafer SEM images during validation/testing compared to exclusive training on a real defect dataset, iv) demonstrating the ability of the proposed approach to transfer defect types, critical dimensions, and imaging conditions from one specified CD/Pitch and metrology specifications to another, thereby highlighting its versatility.

LLM agents can commit durable effects from authority evidence that was valid earlier in execution: a DOM snapshot, approval epoch, version witness, branch token, or worker result. We study the commit boundary at which earlier authority evidence no longer authorizes a durable effect. We call this property commit-time authorization: a durable effect is authorized only if the witness that licensed its derived state remains fresh, causally prior, bound to the same effect, and eligible at commit time. We build a controlled-invalidation suite spanning browser, tool/API, and multi-agent workflows. The suite preserves the user goal and payload shape while invalidating the authority relation before durability. In the primary 54-task matrix, endpoint success remains high: 262/270 runs reach the visible result. Only 55/270 are authorized completions; among the 216 invalidating rows, 207 commit after the authorizing path has failed. All 54 clean controls remain authorized, and a separate 54-run authority-preserving check produces no unauthorized commits. We then evaluate mitigation families. Prompt caution and single-condition checks are insufficient because different hazards break different boundary conditions. Defenses work when they refresh, rebind, replan, or refuse at the durability boundary. CommitGuard, a fail-closed boundary monitor, blocks stale durable-effect attempts on protected commit surfaces when runtimes emit witness, dependency, binding, and eligibility signals. The result is a reporting and runtime-design lesson: endpoint success is a utility metric; authorized commit is a security property.

Using {\em ab initio} density functional theory calculations, we characterize changes in the electronic structure of MoS_{2} monolayers introduced by missing or additional adsorbed sulfur atoms. We furthermore identify the chemical and electronic function of substances that have been reported to reduce the adverse effect of sulfur vacancies in quenching photoluminescence and reducing electronic conductance. We find that thiol-group containing molecules adsorbed at vacancy sites may re-insert missing sulfur atoms. In presence of additional adsorbed sulfur atoms, thiols may form disulfides on the MoS_{2} surface to mitigate the adverse effect of defects.

The presence of point defects such as vacancies plays an important role in material design. Here, we demonstrate that a graph neural network (GNN) model trained only on perfect materials can also be used to predict vacancy formation energies (E_{vac}) of defect structures without the need for additional training data. Such GNN-based predictions are considerably faster than density functional theory (DFT) calculations with reasonable accuracy and show the potential that GNNs are able to capture a functional form for energy predictions. To test this strategy, we developed a DFT dataset of 508 E_{vac} consisting of 3D elemental solids, alloys, oxides, nitrides, and 2D monolayer materials. We analyzed and discussed the applicability of such direct and fast predictions. We applied the model to predict 192494 E_{vac} for 55723 materials in the JARVIS-DFT database.

Open-source libraries and tools are widely reused, but compatibility maintenance is expensive. Once maintainers leave, useful repositories can stop working as runtimes and dependencies evolve. We study whether LLM agents can adapt old repositories to modern environments, a task we call compatibility rescue. Unlike bug repair, compatibility rescue starts from a repository that worked in its original environment but fails after ecosystem drift. RepoRescue gives agents only the repository and its failing modern environment; the agent must diagnose the failure, locate affected code, and produce a source-code rescue that restores the historical test suite. We build RepoRescue from 193 Python and 122 Java repositories, each verified to pass historically and fail after modernization. We evaluate five deployed agent systems on Python and three on Java. Beyond full-patch pass rate, we rerun patches after removing test-file edits to measure source-only repair, add a runtime-enforced regime that blocks test edits, and validate practical use for repositories whose suites pass after rescue. We find that Claude Code systems sometimes edit failing tests even when prompted not to; with runtime blocking, Kimi still rescues 41.5% of repositories. Systems are complementary: their union reaches 62.7%, exceeding the best single system by 10.9 points. Difficulty concentrates in cross-file coordination: on 14 repositories requiring coordinated whole-codebase changes, GPT-5.2 through Codex passes all 14, while every Claude Code system passes at most two. Finally, a passing suite is only an initial signal: among 34 unmaintained Python candidates whose suites pass after rescue, 22 work in realistic scenarios and 12 pass bug-hunt with patches that address the compatibility failure. RepoRescue benchmarks compatibility rescue with source-only auditing, runtime enforcement, practical validation, and reasoning labels.

In the field of integrated circuit manufacturing, the detection and classification of nanoscale wafer defects are critical for subsequent root cause analysis and yield enhancement. The complex background patterns observed in scanning electron microscope (SEM) images and the diverse textures of the defects pose significant challenges. Traditional methods usually suffer from insufficient data, labels, and poor transferability. In this paper, we propose a novel few-shot learning approach, SEM-CLIP, for accurate defect classification and segmentation. SEM-CLIP customizes the Contrastive Language-Image Pretraining (CLIP) model to better focus on defect areas and minimize background distractions, thereby enhancing segmentation accuracy. We employ text prompts enriched with domain knowledge as prior information to assist in precise analysis. Additionally, our approach incorporates feature engineering with textual guidance to categorize defects more effectively. SEM-CLIP requires little annotated data, substantially reducing labor demands in the semiconductor industry. Extensive experimental validation demonstrates that our model achieves impressive classification and segmentation results under few-shot learning scenarios.

Large language model (LLM)-based software engineering agents are increasingly developed to resolve software issues by generating patches from issue reports and code repositories. Bug reproduction tests (BRTs) are an important building block for such agents and have been shown useful for patch validation. However, it remains unclear whether BRTs can also help the more central stage of patch generation. We first conduct a preliminary study and find that directly using advanced BRT generators to guide patch generation is not beneficial: fail-to-fail BRTs can mislead agents, while even fail-to-pass BRTs bring limited or negative gains. Our analysis reveals two reasons: fail-to-pass BRTs may cover only one manifestation of the reported issue, leading to partial patches, whereas fail-to-fail BRTs are unreliable as direct patch-generation targets. Motivated by these insights, we propose SWE-Doctor, a software issue resolution agent that guides patch generation with runtime diagnoses derived from multi-faceted BRT executions. SWE-Doctor first generates multi-faceted BRTs for different behavioral requirements stated in the issue, then executes and debugs these BRTs to construct runtime-grounded diagnosis records, and finally uses the diagnoses together with localization information inferred during BRT generation to guide patch generation and reduce partial patches. We evaluate SWE-Doctor on Python bug-fixing issues from the widely adopted SWE-bench Verified and SWE-bench Pro across five LLM backends. SWE-Doctor consistently outperforms existing agents across all 10 LLM-benchmark combinations, achieving average resolution rates of 75.7% on SWE-bench Verified and 59.4% on SWE-bench Pro. In particular, on the more challenging SWE-bench Pro, SWE-Doctor improves the average resolution rate by 8.0-8.9 percentage points over the baseline agents.

Deep learning and language models are increasingly dominating automated program repair research. While previous generate-and-validate approaches were able to find and use fix ingredients on a file or even project level, neural language models are limited to the code that fits their input window. In this work we investigate how important identifier ingredients are in neural program repair and present ScanFix, an approach that leverages an additional scanner model to extract identifiers from a bug's file and potentially project-level context. We find that lack of knowledge of far-away identifiers is an important cause of failed repairs. Augmenting repair model input with scanner-extracted identifiers yields relative improvements of up to 31%. However, ScanFix is outperformed by a model with a large input window (> 5k tokens). When passing ingredients from the ground-truth fix, improvements are even higher. This shows that, with refined extraction techniques, ingredient scanning, similar to fix candidate ranking, could have the potential to become an important subtask of future automated repair systems. At the same time, it also demonstrates that this idea is subject to Sutton's bitter lesson and may be rendered unnecessary by new code models with ever-increasing context windows.

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

LLM-based multi-agent pipelines flip from correct to incorrect answers under simulated peer disagreement at rates we term yield, a vulnerability widely attributed to RLHF-induced sycophancy. We test this attribution across four model families and find it largely wrong: pretrained base models exhibit the same substitution pattern as their Instruct variants, averaging higher yield than Instruct. Using activation patching, we localize the corruption to a narrow mid-layer window where attention carries the causal weight and MLP contribution is negligible; patching above this window restores 96% of the clean-to-pressured P(correct) gap. The attack surface decomposes into two independent factors (channel framing and consensus strength) whose interaction produces a 47.5 percentage-point yield gap at majority consensus, preserved across jury sizes N in {4, 5, 6}. Two converging activation-space interventions show that pressure suppresses clean-reasoning features rather than activating a new sycophancy circuit. A single correctly-arguing dissenter reduces yield by 54-73 percentage points across all framings tested, whereas the strongest prompt-level defense fails on attack variants outside its design surface. Mitigations should target the mechanism, structured dissent at the pipeline level, rather than prompt-level defenses.

We formalize prefix invariance: representations at position t must not depend on future inputs. We give a lightweight audit, two forward passes, no training or gradients, that localizes exactly where causality breaks. Attention-mask inspection is incomplete: leaks can occur via scans or normalization despite correct masks. Across 192 injected-fault trials on eight checkpoints, mask inspection found none, while our audit localized all 192/192, also finding a defect in Zamba2 and Nemotron-H.

Continuous solid electrolyte interface (SEI) formation remains the limiting factor of the lifetime of silicon nanoparticles (SiNPs) based negative electrodes. Methods that could provide clear diagnosis of the electrode degradation are of utmost necessity to streamline further developments. We demonstrate that electron energy-loss spectroscopy (EELS) in a scanning transmission electron microscope (STEM) can be used to quickly map SEI components and quantify LixSi alloys from single experiments, with resolutions down to 5 nm. Exploiting the low-loss part of the EEL spectrum allowed us to circumvent the degradation phenomena that have so far crippled the application of this technique on such beam-sensitive compounds. Our results provide unprecedented insight into silicon aging mechanisms in full cell configuration. We observe the morphology of the SEI to be extremely heterogeneous at the particle scale but with clear chemical evolutions with extended cycling coming from both SEI accumulation and a transition from lithium-rich carbonate-like compounds to lithium-poor ones. Thanks to the retrieval of several results from a single dataset, we were able to correlate local discrepancies in lithiation to the initial crystallinity of silicon as well as to the local SEI chemistry and morphology. This study emphasizes how initial heterogeneities in the percolating electronic network and the porosity affect SiNPs aggregates along cycling. These findings pinpoint the crucial role of an optimized formulation in silicon-based thick electrodes.

How do multi-turn reasoning systems fail? The expected answer is logical contradiction, in which the system's maintained state becomes unsatisfiable. We show that the dominant mode is instead satisfiable drift, where the internal state stays consistent while the returned answer silently violates prior commitments. We build DRIFT-Bench (Decomposing Reasoning Into Failure Types), a solver-instrumented benchmark of 816 test problems across three constraint domains, and evaluate four methods on it across four open-weight models (8B-120B parameters). MUS-Repair, which feeds minimal unsatisfiable subsets back to the generator, is strongest in every setting (+1.8 to +15.0 pp over the best non-MUS baseline). But the central finding is what repair leaves behind. After structured feedback, models rarely contradict themselves. They forget. Residual errors are 98-100% satisfiable drift across all settings, while contradiction drops to near zero. Reliable multi-turn systems must separately validate that the returned answer respects the maintained state. Code is available at https://github.com/kaons-research/drift-bench.

Manufacturing wafers is an intricate task involving thousands of steps. Defect Pattern Recognition (DPR) of wafer maps is crucial for determining the root cause of production defects, which may further provide insight for yield improvement in wafer foundry. During manufacturing, various defects may appear standalone in the wafer or may appear as different combinations. Identifying multiple defects in a wafer is generally harder compared to identifying a single defect. Recently, deep learning methods have gained significant traction in mixed-type DPR. However, the complexity of defects requires complex and large models making them very difficult to operate on low-memory embedded devices typically used in fabrication labs. Another common issue is the unavailability of labeled data to train complex networks. In this work, we propose an unsupervised training routine to distill the knowledge of complex pre-trained models to lightweight deployment-ready models. We empirically show that this type of training compresses the model without sacrificing accuracy despite being up to 10 times smaller than the teacher model. The compressed model also manages to outperform contemporary state-of-the-art models.

Automatic visual inspection using machine learning plays a key role in achieving zero-defect policies in industry. Research on anomaly detection is constrained by the availability of datasets that capture complex defect appearances and imperfect imaging conditions, which are typical of production processes. Recent benchmarks indicate that most publicly available datasets are biased towards optimal imaging conditions, leading to an overestimation of their applicability in real-world industrial scenarios. To address this gap, we introduce the Industrial Screen Printing Anomaly Detection Dataset (ISP-AD). It presents challenging small and weakly contrasted surface defects embedded within structured patterns exhibiting high permitted design variability. To the best of our knowledge, it is the largest publicly available industrial dataset to date, including both synthetic and real defects collected directly from the factory floor. Beyond benchmarking recent unsupervised anomaly detection methods, experiments on a mixed supervised training strategy, incorporating both synthesized and real defects, were conducted. Experiments show that even a small amount of injected, weakly labeled real defects improves generalization. Furthermore, starting from training on purely synthetic defects, emerging real defective samples can be efficiently integrated into subsequent scalable training. Overall, our findings indicate that model-free synthetic defects can provide a cold-start baseline, whereas a small number of injected real defects refine the decision boundary for previously unseen defect characteristics. The presented unsupervised and supervised dataset splits are designed to emphasize research on unsupervised, self-supervised, and supervised approaches, enhancing their applicability to industrial settings.

Safety-aligned language models systematically refuse harmful requests. While activation steering can modulate refusal, ablating the raw "refusal vector" calculated from contrastive harmful and harmless prompts often causes collateral damage and distribution drift. We argue this degradation occurs because the raw vector is polysemantic, entangling the refusal signal with core capability circuits and linguistic style. We introduce Surgical Refusal Ablation (SRA) to distill these steering directions. SRA constructs a registry of independent Concept Atoms representing protected capabilities and stylistic confounds, then uses ridge-regularized spectral residualization to orthogonalize the refusal vector against these directions. This yields a clean refusal direction that targets refusal-relevant structure while minimizing disruption to the model's semantic geometry. Across five models (Qwen3-VL and Ministral series), SRA achieves deep refusal reduction (0-2%) with negligible perplexity impact on Wikitext-2 (mean delta PPL approx. 0.02) and minimal distribution drift. Notably, standard ablation on Qwen3-VL-4B induces severe drift (first-token KL = 2.088), whereas SRA maintains the original distribution (KL = 0.044) while achieving the same 0% refusal rate. Using teacher-forced perplexity on GSM8K and MBPP as a high-resolution capability proxy, we show SRA preserves math and code distributions. These results suggest that common "model damage" is often "Ghost Noise," defined as the spectral bleeding of the dirty refusal direction into capability subspaces.