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Oct 16

Evaluating Software Process Models for Multi-Agent Class-Level Code Generation

Modern software systems require code that is not only functional but also maintainable and well-structured. Although Large Language Models (LLMs) are increasingly used to automate software development, most studies focus on isolated, single-agent function-level generation. This work examines how process structure and role specialization shape multi-agent LLM workflows for class-level code generation. We simulate a Waterfall-style development cycle covering Requirement, Design, Implementation, and Testing using three LLMs (GPT-4o-mini, DeepSeek-Chat, and Claude-3.5-Haiku) on 100 Python tasks from the ClassEval benchmark. Our findings show that multi-agent workflows reorganize, rather than consistently enhance, model performance. Waterfall-style collaboration produces cleaner and more maintainable code but often reduces functional correctness (-37.8\% for GPT-4o-mini and -39.8\% for DeepSeek-Chat), with Claude-3.5-Haiku as a notable exception (+9.5\%). Importantly, process constraints shift failure characteristics: structural issues such as missing code decrease, while semantic and validation errors become more frequent. Among all stages, Testing exerts the strongest influence by improving verification coverage but also introducing new reasoning failures, whereas Requirement and Design have comparatively modest effects. Overall, this study provides empirical evidence that software process structure fundamentally alters how LLMs reason, collaborate, and fail, revealing inherent trade-offs between rigid workflow discipline and flexible problem-solving in multi-agent code generation.

  • 4 authors
·
Nov 11, 2025

Rethinking Post-Hoc Calibration in Semantic Segmentation

Reliable confidence estimates are essential in semantic segmentation, especially in safety-critical settings where overconfident errors can mislead downstream decisions. Yet modern segmentation models often remain miscalibrated. Post-hoc calibration offers a practical way to correct confidence estimates without retraining the segmentation model, but its use in dense prediction raises structural issues that are often overlooked. We study two such issues. First, adding a constant to all logits leaves the softmax probabilities unchanged, but several standard calibrators can still depend on this arbitrary offset. As a result, two logit representations encoding the same predictive distribution may yield different calibrated probabilities. We define translation-invariant (TI) calibrators as those whose outputs are unchanged under such shifts, characterize which common calibrators satisfy this property, and construct TI counterparts of shift-sensitive calibrators to isolate the effect of removing representation dependence. Second, post-hoc calibration is typically fitted by minimizing a likelihood-based objective, whereas segmentation models are trained with task-specific metrics such as Dice. This mismatch can cause calibration to alter class orderings and degrade the deployed segmentation map. We study decision-preserving calibration under argmax- and order-preservation constraints. Since enforcing these constraints collapses affine softmax calibrators to temperature scaling, we introduce class-conditional affine calibrators that can be made argmax- or order-preserving while retaining greater expressivity, allowing us to quantify the calibration-segmentation trade-off induced by decision preservation. Across natural-image and medical segmentation benchmarks, and under corruption-based covariate shift, matched comparisons show that TI variants generally improve calibration metrics, while decision-preserving variants prevent segmentation degradation and retain strong calibration performance. These results provide practical design principles for well-defined post-hoc calibration pipelines in semantic segmentation.

MIC-DKFZ MIC at DKFZ
·
Jul 1

StoSignSGD: Unbiased Structural Stochasticity Fixes SignSGD for Training Large Language Models

Sign-based optimization algorithms, such as SignSGD, have garnered significant attention for their remarkable performance in distributed learning and training large foundation models. Despite their empirical superiority, SignSGD is known to diverge on non-smooth objectives, which are ubiquitous in modern machine learning due to ReLUs, max-pools, and mixture-of-experts. To overcome this fundamental limitation, we propose StoSignSGD, an algorithm that injects structural stochasticity into the sign operator while maintaining an unbiased update step. In the regime of (online) convex optimization, our theoretical analysis shows that StoSignSGD rigorously resolves the non-convergence issues of SignSGD, achieving a sharp convergence rate matching the lower bound. For the more challenging non-convex non-smooth optimization, we introduce generalized stationary measures that encompass prior definitions, proving that StoSignSGD improves upon the best-known complexity bounds by dimensional factors. Empirically, StoSignSGD exhibits robust stability and superior efficiency across diverse large language model (LLM) training regimes. Notably, in low-precision FP8 pretraining -- a setting where AdamW fails catastrophically -- StoSignSGD remains highly stable and yields a remarkable 1.44times to 2.14times speedup relative to established baselines. Furthermore, when fine-tuning 7B LLMs on mathematical reasoning tasks, StoSignSGD delivers substantial performance gains over both AdamW and SignSGD. Finally, to dissect the mechanisms driving its success, we develop a sign conversion framework capable of transforming any general optimizer into its unbiased, sign-based counterpart. Utilizing this framework, we deconstruct the core components of StoSignSGD and present a comprehensive ablation study to empirically validate our algorithmic design choices.

  • 4 authors
·
Apr 15

GaraMoSt: Parallel Multi-Granularity Motion and Structural Modeling for Efficient Multi-Frame Interpolation in DSA Images

The rapid and accurate direct multi-frame interpolation method for Digital Subtraction Angiography (DSA) images is crucial for reducing radiation and providing real-time assistance to physicians for precise diagnostics and treatment. DSA images contain complex vascular structures and various motions. Applying natural scene Video Frame Interpolation (VFI) methods results in motion artifacts, structural dissipation, and blurriness. Recently, MoSt-DSA has specifically addressed these issues for the first time and achieved SOTA results. However, MoSt-DSA's focus on real-time performance leads to insufficient suppression of high-frequency noise and incomplete filtering of low-frequency noise in the generated images. To address these issues within the same computational time scale, we propose GaraMoSt. Specifically, we optimize the network pipeline with a parallel design and propose a module named MG-MSFE. MG-MSFE extracts frame-relative motion and structural features at various granularities in a fully convolutional parallel manner and supports independent, flexible adjustment of context-aware granularity at different scales, thus enhancing computational efficiency and accuracy. Extensive experiments demonstrate that GaraMoSt achieves the SOTA performance in accuracy, robustness, visual effects, and noise suppression, comprehensively surpassing MoSt-DSA and other natural scene VFI methods. The code and models are available at https://github.com/ZyoungXu/GaraMoSt.

  • 4 authors
·
Dec 18, 2024

SECodec: Structural Entropy-based Compressive Speech Representation Codec for Speech Language Models

With the rapid advancement of large language models (LLMs), discrete speech representations have become crucial for integrating speech into LLMs. Existing methods for speech representation discretization rely on a predefined codebook size and Euclidean distance-based quantization. However, 1) the size of codebook is a critical parameter that affects both codec performance and downstream task training efficiency. 2) The Euclidean distance-based quantization may lead to audio distortion when the size of the codebook is controlled within a reasonable range. In fact, in the field of information compression, structural information and entropy guidance are crucial, but previous methods have largely overlooked these factors. Therefore, we address the above issues from an information-theoretic perspective, we present SECodec, a novel speech representation codec based on structural entropy (SE) for building speech language models. Specifically, we first model speech as a graph, clustering the speech features nodes within the graph and extracting the corresponding codebook by hierarchically and disentangledly minimizing 2D SE. Then, to address the issue of audio distortion, we propose a new quantization method. This method still adheres to the 2D SE minimization principle, adaptively selecting the most suitable token corresponding to the cluster for each incoming original speech node. Furthermore, we develop a Structural Entropy-based Speech Language Model (SESLM) that leverages SECodec. Experimental results demonstrate that SECodec performs comparably to EnCodec in speech reconstruction, and SESLM surpasses VALL-E in zero-shot text-to-speech tasks. Code, demo speeches, speech feature graph, SE codebook, and models are available at https://github.com/wlq2019/SECodec.

  • 8 authors
·
Dec 15, 2024

Revisiting Graph Contrastive Learning on Anomaly Detection: A Structural Imbalance Perspective

The superiority of graph contrastive learning (GCL) has prompted its application to anomaly detection tasks for more powerful risk warning systems. Unfortunately, existing GCL-based models tend to excessively prioritize overall detection performance while neglecting robustness to structural imbalance, which can be problematic for many real-world networks following power-law degree distributions. Particularly, GCL-based methods may fail to capture tail anomalies (abnormal nodes with low degrees). This raises concerns about the security and robustness of current anomaly detection algorithms and therefore hinders their applicability in a variety of realistic high-risk scenarios. To the best of our knowledge, research on the robustness of graph anomaly detection to structural imbalance has received little scrutiny. To address the above issues, this paper presents a novel GCL-based framework named AD-GCL. It devises the neighbor pruning strategy to filter noisy edges for head nodes and facilitate the detection of genuine tail nodes by aligning from head nodes to forged tail nodes. Moreover, AD-GCL actively explores potential neighbors to enlarge the receptive field of tail nodes through anomaly-guided neighbor completion. We further introduce intra- and inter-view consistency loss of the original and augmentation graph for enhanced representation. The performance evaluation of the whole, head, and tail nodes on multiple datasets validates the comprehensive superiority of the proposed AD-GCL in detecting both head anomalies and tail anomalies.

  • 7 authors
·
Jul 18, 2025

GONE: Structural Knowledge Unlearning via Neighborhood-Expanded Distribution Shaping

Unlearning knowledge is a pressing and challenging task in Large Language Models (LLMs) because of their unprecedented capability to memorize and digest training data at scale, raising more significant issues regarding safety, privacy, and intellectual property. However, existing works, including parameter editing, fine-tuning, and distillation-based methods, are all focused on flat sentence-level data but overlook the relational, multi-hop, and reasoned knowledge in naturally structured data. In response to this gap, this paper introduces Graph Oblivion and Node Erasure (GONE), a benchmark for evaluating knowledge unlearning over structured knowledge graph (KG) facts in LLMs. This KG-based benchmark enables the disentanglement of three effects of unlearning: direct fact removal, reasoning-based leakage, and catastrophic forgetting. In addition, Neighborhood-Expanded Distribution Shaping (NEDS), a novel unlearning framework, is designed to leverage graph connectivity and identify anchor correlated neighbors, enforcing a precise decision boundary between the forgotten fact and its semantic neighborhood. Evaluations on LLaMA-3-8B and Mistral-7B across multiple knowledge editing and unlearning methods showcase NEDS's superior performance (1.000 on unlearning efficacy and 0.839 on locality) on GONE and other benchmarks. Code is available at https://anonymous.4open.science/r/GONE-4679/.

  • 3 authors
·
Feb 20

Aesthetics as Structural Harm: Algorithmic Lookism Across Text-to-Image Generation and Classification

This paper examines algorithmic lookism-the systematic preferential treatment based on physical appearance-in text-to-image (T2I) generative AI and a downstream gender classification task. Through the analysis of 26,400 synthetic faces created with Stable Diffusion 2.1 and 3.5 Medium, we demonstrate how generative AI models systematically associate facial attractiveness with positive attributes and vice-versa, mirroring socially constructed biases rather than evidence-based correlations. Furthermore, we find significant gender bias in three gender classification algorithms depending on the attributes of the input faces. Our findings reveal three critical harms: (1) the systematic encoding of attractiveness-positive attribute associations in T2I models; (2) gender disparities in classification systems, where women's faces, particularly those generated with negative attributes, suffer substantially higher misclassification rates than men's; and (3) intensifying aesthetic constraints in newer models through age homogenization, gendered exposure patterns, and geographic reductionism. These convergent patterns reveal algorithmic lookism as systematic infrastructure operating across AI vision systems, compounding existing inequalities through both representation and recognition. Disclaimer: This work includes visual and textual content that reflects stereotypical associations between physical appearance and socially constructed attributes, including gender, race, and traits associated with social desirability. Any such associations found in this study emerge from the biases embedded in generative AI systems-not from empirical truths or the authors' views.

  • 4 authors
·
Feb 1

Transformer-Based Models Are Not Yet Perfect At Learning to Emulate Structural Recursion

This paper investigates the ability of transformer-based models to learn structural recursion from examples. Recursion is a universal concept in both natural and formal languages. Structural recursion is central to the programming language and formal mathematics tasks where symbolic tools currently excel beyond neural models, such as inferring semantic relations between datatypes and emulating program behavior. We introduce a general framework that nicely connects the abstract concepts of structural recursion in the programming language domain to concrete sequence modeling problems and learned models' behavior. The framework includes a representation that captures the general syntax of structural recursion, coupled with two different frameworks for understanding their semantics -- one that is more natural from a programming languages perspective and one that helps bridge that perspective with a mechanistic understanding of the underlying transformer architecture. With our framework as a powerful conceptual tool, we identify different issues under various set-ups. The models trained to emulate recursive computations cannot fully capture the recursion yet instead fit short-cut algorithms and thus cannot solve certain edge cases that are under-represented in the training distribution. In addition, it is difficult for state-of-the-art large language models (LLMs) to mine recursive rules from in-context demonstrations. Meanwhile, these LLMs fail in interesting ways when emulating reduction (step-wise computation) of the recursive function.

  • 6 authors
·
Jan 23, 2024 2

SesaHand: Enhancing 3D Hand Reconstruction via Controllable Generation with Semantic and Structural Alignment

Recent studies on 3D hand reconstruction have demonstrated the effectiveness of synthetic training data to improve estimation performance. However, most methods rely on game engines to synthesize hand images, which often lack diversity in textures and environments, and fail to include crucial components like arms or interacting objects. Generative models are promising alternatives to generate diverse hand images, but still suffer from misalignment issues. In this paper, we present SesaHand, which enhances controllable hand image generation from both semantic and structural alignment perspectives for 3D hand reconstruction. Specifically, for semantic alignment, we propose a pipeline with Chain-of-Thought inference to extract human behavior semantics from image captions generated by the Vision-Language Model. This semantics suppresses human-irrelevant environmental details and ensures sufficient human-centric contexts for hand image generation. For structural alignment, we introduce hierarchical structural fusion to integrate structural information with different granularity for feature refinement to better align the hand and the overall human body in generated images. We further propose a hand structure attention enhancement method to efficiently enhance the model's attention on hand regions. Experiments demonstrate that our method not only outperforms prior work in generation performance but also improves 3D hand reconstruction with the generated hand images.

  • 6 authors
·
Feb 27

HyDRA: A Hybrid-Driven Reasoning Architecture for Verifiable Knowledge Graphs

The synergy between symbolic knowledge, often represented by Knowledge Graphs (KGs), and the generative capabilities of neural networks is central to advancing neurosymbolic AI. A primary bottleneck in realizing this potential is the difficulty of automating KG construction, which faces challenges related to output reliability, consistency, and verifiability. These issues can manifest as structural inconsistencies within the generated graphs, such as the formation of disconnected isolated islands of data or the inaccurate conflation of abstract classes with specific instances. To address these challenges, we propose HyDRA, a Hybrid-Driven Reasoning Architecture designed for verifiable KG automation. Given a domain or an initial set of documents, HyDRA first constructs an ontology via a panel of collaborative neurosymbolic agents. These agents collaboratively agree on a set of competency questions (CQs) that define the scope and requirements the ontology must be able to answer. Given these CQs, we build an ontology graph that subsequently guides the automated extraction of triplets for KG generation from arbitrary documents. Inspired by design-by-contracts (DbC) principles, our method leverages verifiable contracts as the primary control mechanism to steer the generative process of Large Language Models (LLMs). To verify the output of our approach, we extend beyond standard benchmarks and propose an evaluation framework that assesses the functional correctness of the resulting KG by leveraging symbolic verifications as described by the neurosymbolic AI framework, SymbolicAI. This work contributes a hybrid-driven architecture for improving the reliability of automated KG construction and the exploration of evaluation methods for measuring the functional integrity of its output. The code is publicly available.

  • 5 authors
·
Jul 21, 2025

Tracing the Roots: A Multi-Agent Framework for Uncovering Data Lineage in Post-Training LLMs

Post-training data plays a pivotal role in shaping the capabilities of Large Language Models (LLMs), yet datasets are often treated as isolated artifacts, overlooking the systemic connections that underlie their evolution. To disentangle these complex relationships, we introduce the concept of data lineage to the LLM ecosystem and propose an automated multi-agent framework to reconstruct the evolutionary graph of dataset development. Through large-scale lineage analysis, we characterize domain-specific structural patterns, such as vertical refinement in math-oriented datasets and horizontal aggregation in general-domain corpora. Moreover, we uncover pervasive systemic issues, including structural redundancy induced by implicit dataset intersections and the propagation of benchmark contamination along lineage paths. To demonstrate the practical value of lineage analysis for data construction, we leverage the reconstructed lineage graph to create a lineage-aware diversity-oriented dataset. By anchoring instruction sampling at upstream root sources, this approach mitigates downstream homogenization and hidden redundancy, yielding a more diverse post-training corpus. We further highlight lineage-centric analysis as an efficient and robust topological alternative to sample-level dataset comparison for large-scale data ecosystems. By grounding data construction in explicit lineage structures, our work advances post-training data curation toward a more systematic and controllable paradigm.

RTPO: Reverse-Turn Policy Optimization for Stabilizing Agentic RL Training

Training multi-turn agentic workflows with reinforcement learning (RL) enables large language models to perform complex reasoning, use external tools, and conduct iterative search beyond single-turn settings. Yet multi-turn RL training remains highly unstable, often causing severe performance degradation as the number of turns increases. Through theoretical analysis, we identify three tightly coupled sources of instability: rollout-training context mismatch, weak turn-level credit assignment under sparse terminal rewards, and asynchronous policy drift when short and long trajectories are optimized under different policy versions. We show that these issues share a common structural origin in flattened trajectory optimization and address them through a unified reverse-turn formulation. We propose Reverse-Turn Policy Optimization (RTPO), which organizes multi-turn rollouts as sparse reverse trees and performs turn-level policy updates in temporal reverse order, aligning each decision with its downstream continuation. RTPO enables causally consistent turn-level credit assignment and on-policy continuation to control asynchronous drift. We provide theoretical guarantees showing that RTPO eliminates context mismatch and asynchronous drift under the proposed turn-level formulation, reduces credit bias, and converges to recursive optimality. Experiments on multi-turn agentic RL benchmarks show that RTPO improves upon trajectory- and turn-level baselines by 21.50% and 10.76%, respectively, highlighting its potential to support more stable training for tool-using agents.

  • 4 authors
·
Aug 18

Healthsheet: Development of a Transparency Artifact for Health Datasets

Machine learning (ML) approaches have demonstrated promising results in a wide range of healthcare applications. Data plays a crucial role in developing ML-based healthcare systems that directly affect people's lives. Many of the ethical issues surrounding the use of ML in healthcare stem from structural inequalities underlying the way we collect, use, and handle data. Developing guidelines to improve documentation practices regarding the creation, use, and maintenance of ML healthcare datasets is therefore of critical importance. In this work, we introduce Healthsheet, a contextualized adaptation of the original datasheet questionnaire ~gebru2018datasheets for health-specific applications. Through a series of semi-structured interviews, we adapt the datasheets for healthcare data documentation. As part of the Healthsheet development process and to understand the obstacles researchers face in creating datasheets, we worked with three publicly-available healthcare datasets as our case studies, each with different types of structured data: Electronic health Records (EHR), clinical trial study data, and smartphone-based performance outcome measures. Our findings from the interviewee study and case studies show 1) that datasheets should be contextualized for healthcare, 2) that despite incentives to adopt accountability practices such as datasheets, there is a lack of consistency in the broader use of these practices 3) how the ML for health community views datasheets and particularly Healthsheets as diagnostic tool to surface the limitations and strength of datasets and 4) the relative importance of different fields in the datasheet to healthcare concerns.

  • 10 authors
·
Feb 25, 2022

From Logic Monopoly to Social Contract: Separation of Power and the Institutional Foundations for Autonomous Agent Economies

Existing multi-agent frameworks allow each agent to simultaneously plan, execute, and evaluate its own actions -- a structural deficiency we term the "Logic Monopoly." Empirical evidence quantifies the resulting "Reliability Gap": 84.30% average attack success rates across ten deployment scenarios, 31.4% emergent deceptive behavior without explicit reward signals, and cascading failure modes rooted in six structural bottlenecks. The remedy is not better alignment of individual models but a social contract for agents: institutional infrastructure that enforces a constitutional Separation of Power. This paper introduces the Agent Enterprise for Enterprise (AE4E) paradigm -- agents as autonomous, legally identifiable business entities within a functionalist social system -- with a contract-centric SoP model trifurcating authority into Legislation, Execution, and Adjudication branches. The paradigm is operationalized through the NetX Enterprise Framework (NEF): governance hubs, TEE-backed compute enclaves, privacy-preserving data bridges, and an Agent-Native blockchain substrate. The Agent Enterprise Economy scales across four deployment tiers from private enclaves to a global Web of Services. The Agentic Social Layer, grounded in Parsons' AGIL framework, provides institutional infrastructure via sixty-plus named Institutional AE4Es. 143 pages, 173 references, eight specialized smart contracts.

  • 1 authors
·
Mar 25

Scaling World-Model Reinforcement Learning Through Diffusion Policy Optimization

Model-based reinforcement learning (RL) can be effectively supported at scale through the use of world models. However, in practice, scaling such approaches remains fundamentally limited. A commonly recognized challenge is model bias and error compounding, which degrade long-horizon predictions. Beyond these issues, we identify a more critical yet underexplored bottleneck: a structural misalignment between search and value learning in existing world model approaches. In particular, policy improvement often relies on value functions induced by a separate, non-search policy, resulting in training inconsistency and ultimately suboptimal learning. To address this limitation, we propose Model-Based Diffusion Policy Optimization (MBDPO) in world models, a framework that unifies search and policy optimization through diffusion policy representations, thereby unlocking the potential of world models for scalable policy learning. Instead of constructing an explicit planner over a learned world model, we reformulate policy optimization as a diffusion process over searched trajectories in latent world models. In this view, we extract an implicit energy function from the collected dataset that anchors the policy, enabling MBDPO to refine the score field for policy optimization while mitigating misalignment. We evaluate MBDPO across a wide range of settings, including multi-task offline pretraining, online learning, and offline-to-online fine-tuning. In the offline regime, we further investigate its scaling behavior by pretraining on large-scale datasets, observing consistent and monotonic performance gains with increasing model capacity.

  • 8 authors
·
May 24

Hallo4D: Multi-Modal Hallucination Mitigation for Consistent Spatio-Temporal Generation

While recent advances in 3D generation have enabled impressive visual synthesis, existing methods often rely on 2D diffusion supervision without explicit mechanisms for geometric consistency, leading to spatial hallucinations such as duplicated structures and misaligned geometry. These issues become more severe in 4D generation, where maintaining consistency across viewpoints and temporal evolution introduces additional challenges, including jitter, identity flicker, and structural drift. We present Hallo4D, a unified and model-agnostic framework for mitigating spatiotemporal hallucinations in 3D and 4D content generation. Hallo4D introduces a generation-detection-correction paradigm that leverages large multimodal language models (LMMs) to identify and summarize spatial and temporal inconsistencies from multi-view and multi-frame renderings. These insights guide a consensus-driven image-space consistency optimization, where an LMM-based selector evaluates candidate corrections through multi-model voting, without requiring retraining or architectural modifications. To further improve temporal consistency and optimization efficiency, Hallo4D incorporates motion-aware keyframe sampling, LMM-guided initialization, and appearance alignment. We additionally introduce exposure-aware optimization and visibility pruning to enhance robustness under challenging viewpoints. Extensive experiments demonstrate that Hallo4D consistently outperforms strong baselines across diverse 3D and 4D generation settings, providing a scalable and generalizable solution for consistency-aware content generation.

  • 6 authors
·
Jul 14 2

Doomed to Re-Annotate, Forever: The ImageNet Story

Top-1 accuracy on ImageNet-1k remains the most commonly reported metric in visual recognition. Quality issues with the dataset have been repeatedly reported, yet the original 2012 noisy labels are still predominantly used. The paper presents a comprehensive effort, which goes well beyond prior correction attempts, towards obtaining accurate and complete ImageNet-1k validation set annotations. The result, ReImageNet, includes multilabel correction, object localization, revised class definitions, and semantic attributes (text-recognition, rendition, reflection, crowd, dominant). The reannotation reveals that approximately 12% of the original ImageNet-1k labels are incorrect, 33.3% of images are multilabel and 3.8% contain no object from an ImageNet-1k class. With the new labels, top-1 accuracy increases by up to 1.2% for supervised models and by 5-6% for MLLMs. We argue that annotation at ImageNet scale cannot realistically be completed in one pass, as errors and definitional issues are discovered only through annotating, and we build our pipeline around repeated refinement and error checking. We observed that human and LLM collaboration with appropriate tooling represents the current quality ceiling for annotation at this scale. ImageNet-1k issues propagate into its derivative test sets, indicating that the problem is structural rather than specific to any single benchmark. All annotations, class definitions, guidelines, and analysis code have been publicly released. Project page: https://vrg.fel.cvut.cz/reimagenet Annotations: https://huggingface.co/datasets/vrg-prague/ReImageNet Code: https://github.com/klarajanouskova/ImageNet

  • 5 authors
·
Aug 12

Graph with Sequence: Broad-Range Semantic Modeling for Fake News Detection

The rapid proliferation of fake news on social media threatens social stability, creating an urgent demand for more effective detection methods. While many promising approaches have emerged, most rely on content analysis with limited semantic depth, leading to suboptimal comprehension of news content.To address this limitation, capturing broader-range semantics is essential yet challenging, as it introduces two primary types of noise: fully connecting sentences in news graphs often adds unnecessary structural noise, while highly similar but authenticity-irrelevant sentences introduce feature noise, complicating the detection process. To tackle these issues, we propose BREAK, a broad-range semantics model for fake news detection that leverages a fully connected graph to capture comprehensive semantics while employing dual denoising modules to minimize both structural and feature noise. The semantic structure denoising module balances the graph's connectivity by iteratively refining it between two bounds: a sequence-based structure as a lower bound and a fully connected graph as the upper bound. This refinement uncovers label-relevant semantic interrelations structures. Meanwhile, the semantic feature denoising module reduces noise from similar semantics by diversifying representations, aligning distinct outputs from the denoised graph and sequence encoders using KL-divergence to achieve feature diversification in high-dimensional space. The two modules are jointly optimized in a bi-level framework, enhancing the integration of denoised semantics into a comprehensive representation for detection. Extensive experiments across four datasets demonstrate that BREAK significantly outperforms existing fake news detection methods.

  • 6 authors
·
Dec 7, 2024

HELP: HyperNode Expansion and Logical Path-Guided Evidence Localization for Accurate and Efficient GraphRAG

Large Language Models (LLMs) often struggle with inherent knowledge boundaries and hallucinations, limiting their reliability in knowledge-intensive tasks. While Retrieval-Augmented Generation (RAG) mitigates these issues, it frequently overlooks structural interdependencies essential for multi-hop reasoning. Graph-based RAG approaches attempt to bridge this gap, yet they typically face trade-offs between accuracy and efficiency due to challenges such as costly graph traversals and semantic noise in LLM-generated summaries. In this paper, we propose HyperNode Expansion and Logical Path-Guided Evidence Localization strategies for GraphRAG (HELP), a novel framework designed to balance accuracy with practical efficiency through two core strategies: 1) HyperNode Expansion, which iteratively chains knowledge triplets into coherent reasoning paths abstracted as HyperNodes to capture complex structural dependencies and ensure retrieval accuracy; and 2) Logical Path-Guided Evidence Localization, which leverages precomputed graph-text correlations to map these paths directly to the corpus for superior efficiency. HELP avoids expensive random walks and semantic distortion, preserving knowledge integrity while drastically reducing retrieval latency. Extensive experiments demonstrate that HELP achieves competitive performance across multiple simple and multi-hop QA benchmarks and up to a 28.8times speedup over leading Graph-based RAG baselines.

  • 7 authors
·
Feb 24

Applications of Machine Learning in Polymer Materials: Property Prediction, Material Design, and Systematic Processes

This paper systematically reviews the research progress and application prospects of machine learning technologies in the field of polymer materials. Currently, machine learning methods are developing rapidly in polymer material research; although they have significantly accelerated material prediction and design, their complexity has also caused difficulties in understanding and application for researchers in traditional fields. In response to the above issues, this paper first analyzes the inherent challenges in the research and development of polymer materials, including structural complexity and the limitations of traditional trial-and-error methods. To address these problems, it focuses on introducing key basic technologies such as molecular descriptors and feature representation, data standardization and cleaning, and records a number of high-quality polymer databases. Subsequently, it elaborates on the key role of machine learning in polymer property prediction and material design, covering the specific applications of algorithms such as traditional machine learning, deep learning, and transfer learning; further, it deeply expounds on data-driven design strategies, such as reverse design, high-throughput virtual screening, and multi-objective optimization. The paper also systematically introduces the complete process of constructing high-reliability machine learning models and summarizes effective experimental verification, model evaluation, and optimization methods. Finally, it summarizes the current technical challenges in research, such as data quality and model generalization ability, and looks forward to future development trends including multi-scale modeling, physics-informed machine learning, standardized data sharing, and interpretable machine learning.

  • 1 authors
·
Oct 29, 2025

PIE-APT: Abductive Planning over Temporal Dynamic Knowledge Graphs via Incremental Reasoning

Planning over Temporal Dynamic Knowledge Graphs (TDKGs) presents theoretical challenges in open-world environments with incomplete information. Existing action formalisms often face decidability issues and the Ramification Problem, while structural abduction requires expansive combinatorial search spaces. We introduce a unified framework with two modules--PIE-Abducer (incremental direct-derivation abduction) and PIE-APT (Abductive Planning for TDKGs)--operating natively on the expressive SROIQ Description Logic. Modeling state transitions as non-monotonic updates to deductively closed DL theories, we represent actions natively in OWL. This leverages an incremental reasoner to preserve decidability and natively bypass the Ramification Problem. To address incomplete knowledge, PIE-Abducer circumvents Minimal Hitting Set (MHS) enumeration. Instead of combinatorial search, it injects the logical negation of a goal into a consistent DL branch and synthesizes missing premises via direct refutation consequences. PIE-APT employs a recursive Generate-and-Test architecture, interleaving backward-chaining A* search with PIE-Abducer to synthesize both action sequences and abductive assumptions. Candidates undergo strict validation via forward-chaining Temporal Projection to evaluate logical trajectories. We evaluate four OWL benchmarks targeting semantic abilities missing from classical planning: parameterized goals with witness search, mid-search DL entailment, open-world assumption injection, and adversarial plan synthesis. Results show qualitative superiority over classical planners and prove our direct-derivation approach significantly outperforms an MHS-faithful baseline in abductive enrichment.

  • 2 authors
·
Sep 1

HDLxGraph: Bridging Large Language Models and HDL Repositories via HDL Graph Databases

Large Language Models (LLMs) have demonstrated their potential in hardware design tasks, such as Hardware Description Language (HDL) generation and debugging. Yet, their performance in real-world, repository-level HDL projects with thousands or even tens of thousands of code lines is hindered. To this end, we propose HDLxGraph, a novel framework that integrates Graph Retrieval Augmented Generation (Graph RAG) with LLMs, introducing HDL-specific graph representations by incorporating Abstract Syntax Trees (ASTs) and Data Flow Graphs (DFGs) to capture both code graph view and hardware graph view. HDLxGraph utilizes a dual-retrieval mechanism that not only mitigates the limited recall issues inherent in similarity-based semantic retrieval by incorporating structural information, but also enhances its extensibility to various real-world tasks by a task-specific retrieval finetuning. Additionally, to address the lack of comprehensive HDL search benchmarks, we introduce HDLSearch, a multi-granularity evaluation dataset derived from real-world repository-level projects. Experimental results demonstrate that HDLxGraph significantly improves average search accuracy, debugging efficiency and completion quality by 12.04%, 12.22% and 5.04% compared to similarity-based RAG, respectively. The code of HDLxGraph and collected HDLSearch benchmark are available at https://github.com/Nick-Zheng-Q/HDLxGraph.

  • 8 authors
·
May 21, 2025

FourierMoE: Fourier Mixture-of-Experts Adaptation of Large Language Models

Parameter-efficient fine-tuning (PEFT) has emerged as a crucial paradigm for adapting large language models (LLMs) under constrained computational budgets. However, standard PEFT methods often struggle in multi-task fine-tuning settings, where diverse optimization objectives induce task interference and limited parameter budgets lead to representational deficiency. While recent approaches incorporate mixture-of-experts (MoE) to alleviate these issues, they predominantly operate in the spatial domain, which may introduce structural redundancy and parameter overhead. To overcome these limitations, we reformulate adaptation in the spectral domain. Our spectral analysis reveals that different tasks exhibit distinct frequency energy distributions, and that LLM layers display heterogeneous frequency sensitivities. Motivated by these insights, we propose FourierMoE, which integrates the MoE architecture with the inverse discrete Fourier transform (IDFT) for frequency-aware adaptation. Specifically, FourierMoE employs a frequency-adaptive router to dispatch tokens to experts specialized in distinct frequency bands. Each expert learns a set of conjugate-symmetric complex coefficients, preserving complete phase and amplitude information while theoretically guaranteeing lossless IDFT reconstruction into real-valued spatial weights. Extensive evaluations across 28 benchmarks, multiple model architectures, and scales demonstrate that FourierMoE consistently outperforms competitive baselines in both single-task and multi-task settings while using significantly fewer trainable parameters. These results highlight the promise of spectral-domain expert adaptation as an effective and parameter-efficient paradigm for LLM fine-tuning.

  • 5 authors
·
Apr 1

LEGNet: Lightweight Edge-Gaussian Driven Network for Low-Quality Remote Sensing Image Object Detection

Remote sensing object detection (RSOD) faces formidable challenges in complex visual environments. Aerial and satellite images inherently suffer from limitations such as low spatial resolution, sensor noise, blurred objects, low-light degradation, and partial occlusions. These degradation factors collectively compromise the feature discriminability in detection models, resulting in three key issues: (1) reduced contrast that hampers foreground-background separation, (2) structural discontinuities in edge representations, and (3) ambiguous feature responses caused by variations in illumination. These collectively weaken model robustness and deployment feasibility. To address these challenges, we propose LEGNet, a lightweight network that incorporates a novel edge-Gaussian aggregation (EGA) module specifically designed for low-quality remote sensing images. Our key innovation lies in the synergistic integration of Scharr operator-based edge priors with uncertainty-aware Gaussian modeling: (a) The orientation-aware Scharr filters preserve high-frequency edge details with rotational invariance; (b) The uncertainty-aware Gaussian layers probabilistically refine low-confidence features through variance estimation. This design enables precision enhancement while maintaining architectural simplicity. Comprehensive evaluations across four RSOD benchmarks (DOTA-v1.0, v1.5, DIOR-R, FAIR1M-v1.0) and a UAV-view dataset (VisDrone2019) demonstrate significant improvements. LEGNet achieves state-of-the-art performance across five benchmark datasets while ensuring computational efficiency, making it well-suited for deployment on resource-constrained edge devices in real-world remote sensing applications. The code is available at https://github.com/lwCVer/LEGNet.

  • 7 authors
·
Mar 18, 2025

Uncertainty-Aware Normal-Guided Gaussian Splatting for Surface Reconstruction from Sparse Image Sequences

3D Gaussian Splatting (3DGS) has achieved impressive rendering performance in novel view synthesis. However, its efficacy diminishes considerably in sparse image sequences, where inherent data sparsity amplifies geometric uncertainty during optimization. This often leads to convergence at suboptimal local minima, resulting in noticeable structural artifacts in the reconstructed scenes.To mitigate these issues, we propose Uncertainty-aware Normal-Guided Gaussian Splatting (UNG-GS), a novel framework featuring an explicit Spatial Uncertainty Field (SUF) to quantify geometric uncertainty within the 3DGS pipeline. UNG-GS enables high-fidelity rendering and achieves high-precision reconstruction without relying on priors. Specifically, we first integrate Gaussian-based probabilistic modeling into the training of 3DGS to optimize the SUF, providing the model with adaptive error tolerance. An uncertainty-aware depth rendering strategy is then employed to weight depth contributions based on the SUF, effectively reducing noise while preserving fine details. Furthermore, an uncertainty-guided normal refinement method adjusts the influence of neighboring depth values in normal estimation, promoting robust results. Extensive experiments demonstrate that UNG-GS significantly outperforms state-of-the-art methods in both sparse and dense sequences. The code will be open-source.

  • 5 authors
·
Mar 14, 2025

SAMA: Factorized Semantic Anchoring and Motion Alignment for Instruction-Guided Video Editing

Current instruction-guided video editing models struggle to simultaneously balance precise semantic modifications with faithful motion preservation. While existing approaches rely on injecting explicit external priors (e.g., VLM features or structural conditions) to mitigate these issues, this reliance severely bottlenecks model robustness and generalization. To overcome this limitation, we present SAMA (factorized Semantic Anchoring and Motion Alignment), a framework that factorizes video editing into semantic anchoring and motion modeling. First, we introduce Semantic Anchoring, which establishes a reliable visual anchor by jointly predicting semantic tokens and video latents at sparse anchor frames, enabling purely instruction-aware structural planning. Second, Motion Alignment pre-trains the same backbone on motion-centric video restoration pretext tasks (cube inpainting, speed perturbation, and tube shuffle), enabling the model to internalize temporal dynamics directly from raw videos. SAMA is optimized with a two-stage pipeline: a factorized pre-training stage that learns inherent semantic-motion representations without paired video-instruction editing data, followed by supervised fine-tuning on paired editing data. Remarkably, the factorized pre-training alone already yields strong zero-shot video editing ability, validating the proposed factorization. SAMA achieves state-of-the-art performance among open-source models and is competitive with leading commercial systems (e.g., Kling-Omni). Code, models, and datasets will be released.

baidu BAIDU
·
Mar 19 4

Beyond Endpoints: Path-Centric Reasoning for Vectorized Off-Road Network Extraction

Deep learning has advanced vectorized road extraction in urban settings, yet off-road environments remain underexplored and challenging. A significant domain gap causes advanced models to fail in wild terrains due to two key issues: lack of large-scale vectorized datasets and structural weakness in prevailing methods. Models such as SAM-Road employ a node-centric paradigm that reasons at sparse endpoints, making them fragile to occlusions and ambiguous junctions in off-road scenes, leading to topological errors. This work addresses these limitations in two complementary ways. First, we release WildRoad, a global off-road road network dataset constructed efficiently with a dedicated interactive annotation tool tailored for road-network labeling. Second, we introduce MaGRoad (Mask-aware Geodesic Road network extractor), a path-centric framework that aggregates multi-scale visual evidence along candidate paths to infer connectivity robustly. Extensive experiments show that MaGRoad achieves state-of-the-art performance on our challenging WildRoad benchmark while generalizing well to urban datasets. An efficient vertex extraction strategy also yields roughly 2.5X faster inference, improving practical applicability. Together, the dataset and path-centric paradigm provide a stronger foundation for mapping roads in the wild. We release both the dataset and code at this repository. We release both the dataset and code at https://github.com/xiaofei-guan/MaGRoad.

  • 7 authors
·
Dec 11, 2025

Evaluating Skills, Not Just Agents: Agentic Continuous Evaluation of Skills

Enterprise agent programs are moving from prototypes into production, where reusable skills, tools, and workflow packages must be reviewed with evidence rather than prose. Current gates often scan these artifacts for structure, style, and security, but they do not answer the deployment question: does the capability package help a live agent complete enterprise tasks under the same model, sandbox, and grading policy? We present ACES (Agentic Continuous Evaluation of Skills), a repository-native framework for evaluating skills and product capability packages as executable agent artifacts. ACES runs paired live trials with and without a target skill, normalizes trajectories into the Agent Trajectory Interchange Format (ATIF), grades six default runtime metrics, and reports Skill Lift: the target skill's added value for a fixed task, harness, workspace, and scorer. The same protocol supports product-owned task suites that compare baseline, skill, bundle, team-skill, and plugin targets. On 145 real skills from internal enterprise repositories and public catalogs, scan-only gates surface useful authoring issues but measure complementary facets (structural versus LLM-judge Spearman ρ= 0.14). Across 947 scored paired cases from 58 of 64 production skills and four primary harnesses, mean composite Skill Lift is 0.2134 (95\% paired-case CI [0.1967, 0.2301]); mean outcome-only lift, the average of accuracy and goal accuracy, is 0.1799. Composite lift is positive in 72.8\% of paired cases. The largest process-metric gains appear in skill execution, behavior check, and skill efficiency---signals about discovery, routing, workflow following, and tool use that document scans cannot observe. An open-source implementation of the methodology is available in NVIDIA SkillEvaluator.

  • 12 authors
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Aug 19

InterLCM: Low-Quality Images as Intermediate States of Latent Consistency Models for Effective Blind Face Restoration

Diffusion priors have been used for blind face restoration (BFR) by fine-tuning diffusion models (DMs) on restoration datasets to recover low-quality images. However, the naive application of DMs presents several key limitations. (i) The diffusion prior has inferior semantic consistency (e.g., ID, structure and color.), increasing the difficulty of optimizing the BFR model; (ii) reliance on hundreds of denoising iterations, preventing the effective cooperation with perceptual losses, which is crucial for faithful restoration. Observing that the latent consistency model (LCM) learns consistency noise-to-data mappings on the ODE-trajectory and therefore shows more semantic consistency in the subject identity, structural information and color preservation, we propose InterLCM to leverage the LCM for its superior semantic consistency and efficiency to counter the above issues. Treating low-quality images as the intermediate state of LCM, InterLCM achieves a balance between fidelity and quality by starting from earlier LCM steps. LCM also allows the integration of perceptual loss during training, leading to improved restoration quality, particularly in real-world scenarios. To mitigate structural and semantic uncertainties, InterLCM incorporates a Visual Module to extract visual features and a Spatial Encoder to capture spatial details, enhancing the fidelity of restored images. Extensive experiments demonstrate that InterLCM outperforms existing approaches in both synthetic and real-world datasets while also achieving faster inference speed.

  • 9 authors
·
Feb 4, 2025 1

Understanding the Physics of Key-Value Cache Compression for LLMs through Attention Dynamics

As context windows in LLMs scale to 100K+ tokens, the key-value (KV) cache becomes the dominant memory bottleneck, with recent methods claiming 80-90% savings and minimal benchmark degradation. We argue these evaluations miss a structural issue: attention is not just storage but routing, and retaining KV pairs does not guarantee semantic accessibility. We propose a physics-inspired view of KV compression as a controlled perturbation of token-level routing, distinguishing retention, accessibility, and utilization. Using synthetic tasks probing multi-entity tracking, disambiguation, coreference, and multi-hop reasoning, we find that moderate compression degrades internal representations with little accuracy loss, revealing redundancy; all models exhibit a sharp hallucination safety cliff near 90% compression, correlated with spikes in Global Eviction Ratio (GER), suggesting a phase transition in semantic reachability; and architectures differ in routing dynamics, with LLaMA showing early consensus and late diversification, and Qwen showing funnel-like late convergence, leading to distinct resilience profiles. Beyond erasure, we identify representational rigidity, where excessive head-level consensus collapses routing flexibility despite token survival. These results suggest sparse token-route structures govern compression tolerance, reframing KV compression as a structural probe of attention geometry and linking long-context scalability to sparsity and the lottery ticket hypothesis in self-attention.

  • 3 authors
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Mar 1

RoLA: Rotary-Positioned Low-Rank Linear Attention for Efficient Diffusion Transformers

Diffusion Transformers (DiTs) achieve strong video generation quality, but their dense spatiotemporal self-attention scales quadratically with sequence length and quickly becomes the dominant inference bottleneck. Sparse low-rank hybrids alleviate this cost by combining a local sparse branch with a global compressed branch. In video DiTs equipped with 3D Rotary Position Embeddings (RoPE), the global branch faces a structural compatibility issue: when RoPE is applied before a nonlinear feature map, the rotation and nonlinearity generally do not commute, making it difficult to keep a query-independent linear summary while preserving relative rotary geometry. Existing work often sidesteps this issue by replacing genuine cross-token global aggregation with coordinate-conditioned surrogates or learnable absolute positional modules. These compromises can be effective, but they approximate relative decay from absolute coordinates and introduce extra positional parameters. We propose RoLA, a rotary-positioned low-rank linear-attention branch that keeps genuine cross-token aggregation while remaining compatible with a reusable linear summary. The design applies RoPE outside the nonlinear low-rank feature map and reuses a truncated subset of the pre-trained rotary schedule matched to the low-rank bottleneck. This yields a linear-time low-rank global branch with relative positional behavior by design and no additional positional parameters; the full sparse--low-rank module still includes the fixed-sparsity sparse branch. Experiments on open-source video DiTs show that the resulting method remains competitive in generation quality at 90\% sparsity while achieving 2.63times end-to-end inference speedup on Wan2.1-14B (720p, 81 frames, measured on an NVIDIA H100 GPU).

  • 12 authors
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Sep 20

StructureClaw: Traceable LLM Agents and an Executable Benchmark for Structural Engineering Workflows

Addressing a structural-engineering request requires more than a single answer; it requires a chain of interdependent artifacts: interpreted requirements, a computable model, validation records, solver outputs, code-check records, and a final report. Evaluations centered on question answering or script generation rarely verify this complete evidence chain and may therefore reward fluent outputs even when the underlying engineering workflow is incomplete, internally inconsistent, or non-executable. To address this limitation, we present StructureClaw, an artifact-centered workbench in which LLM agents operate through governed engineering skills, typed tools, shared artifact state, and local analysis backends. We also introduce StructureClaw-Bench, an executable benchmark of 150 controlled scenarios spanning standard workflow execution, interactive robustness, and multimodal structural-model reconstruction. A scenario succeeds only when all required artifact- and execution-level assertions pass in a single run. Across ten agent-model configurations, each evaluated on the same 50 standard cases, the average Success Rate rises from 56.8% with the generic-skill baseline to 88.6% with the full automatic workflow. The interactive and multimodal evaluations identify two prominent remaining challenges: safe handling of invalid numerical inputs and fixture-consistent reconstruction of structural models. These findings show that artifact-centered evaluation can expose workflow-level failures that are difficult to identify from final responses alone, providing a more rigorous basis for evaluating and improving structural-engineering agents. The code and benchmark are available at https://github.com/structureclaw/structureclaw.

  • 16 authors
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Jul 15

Toward an Engineering of Science: Rebalancing Generation and Verification in the Age of AI

AI systems can now cheaply generate plausible scientific artifacts such as papers, reviews, and surveys. This creates a risk of epistemic pollution in our scientific systems, where unreliable but plausible-looking artifacts can accumulate faster than the system can filter them out. The problem is structural: the epistemic infrastructure of science was calibrated to a world where producing a plausible artifact required substantial expertise, labor, and time, so generation cost itself served as a rough filter; AI weakens that filter without comparably lowering verification cost. We argue that AI-era science should treat this as an engineering problem: redesigning epistemic infrastructure to rebalance the costs of generation and verification. The current paper-centered system makes verification expensive: papers compress long-context scientific logic into prose, forcing reviewers, human or AI, to reconstruct underlying argument structure before they can evaluate it. As one step in this direction, we propose blueprints as preliminary epistemic infrastructure: structured, decomposed research artifacts that represent claims, evidence, assumptions, and definitions as typed graph components. Blueprints are designed to trade an upfront generation cost for cheaper, more local, more distributed verification downstream. We have instantiated the proposal in a proof-of-concept prototype.

  • 1 authors
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May 10

A Cumulative Framework for Solid Deformation

A cumulative variational framework for solid deformation is proposed. Its central organizing principle is the recursive combination of three structural components of one material body: a compatible Cosserat component, a distributed-incompatibility component, and a defect-source component. At any prescribed external condition these components constitute a combined material state. They are governed under common physical boundary and initial conditions and are coupled through one cumulative energy and the associated field equations. They are not separate boundary-value problems and need not appear in a prescribed temporal sequence. The cumulative character of the framework concerns the response of the combined state to variation of externally prescribed conditions. For the special case of an initially perfect body, loss of stability may produce successive branches with defect and then source participation. Such a sequence is a bifurcation property of the selected initial state and constitutive energy, rather than a defining hierarchy of the framework. A one-dimensional specialization illustrates structural bifurcation, residual deformation and residual stress produced by retained structure, dependence on the initial combined state, directional memory under reverse loading, parametric cumulative hysteresis, and changes of observable tangent stiffness associated with structural stabilization. A spatial extension introduces defect and source gradient terms and yields a size-dependent structural stability operator. For the stable quartic energy considered, the gradient terms regularize nonuniform perturbations but do not by themselves generate a finite-wavelength localization instability on an already stable three-component branch. The examples thereby distinguish consequences of the cumulative structure and energy from phenomena requiring additional constitutive evolution laws.

  • 1 authors
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Sep 16

Integrating Large Language Models for Automated Structural Analysis

Automated analysis for engineering structures offers considerable potential for boosting efficiency by minimizing repetitive tasks. Although AI-driven methods are increasingly common, no systematic framework yet leverages Large Language Models (LLMs) for automatic structural analysis. To address this gap, we propose a novel framework that integrates LLMs with structural analysis software. LLMs serve as the core engine: they parse structural descriptions from text and translate them into executable Python scripts. Moreover, the framework integrates the generative capabilities of LLMs with code-based finite element (FE) tools like OpenSeesPy. It employs domain-specific prompt design and in-context learning strategies to enhance the LLM's problem-solving capabilities and generative stability, enabling fully automated structural analysis from descriptive text to model outputs. In our experiments, we introduce a well-curated small-scale benchmark dataset of 20 structural analysis word problems (SAWPs) with ground-truth solutions and evaluate the performance of different LLMs within our framework in solving these SAWPs. The role of system instructions, crafted by structural engineers, is also investigated to understand their impact on LLM-driven structural analysis. Additionally, the generative stability of our framework is examined. Through multiple validation experiments on the benchmark, our results demonstrate that the proposed framework can substantially increase the level of automation in solving SAWPs compared to traditional methods. Quantitatively, the framework, built on GPT-4o, achieved 100% accuracy, surpassing GPT-4 (85%), Gemini 1.5 Pro (80%), and Llama-3.3 (30%) on the test examples. Furthermore, integrating domain-specific instructions enhanced performance by 30% on problems with asymmetrical structural configurations.

  • 3 authors
·
Apr 13, 2025

Extended Detailed Balance for Systems with Irreversible Reactions

The principle of detailed balance states that in equilibrium each elementary process is equilibrated by its reverse process. For many real physico-chemical complex systems (e.g. homogeneous combustion, heterogeneous catalytic oxidation, most enzyme reactions etc), detailed mechanisms include both reversible and irreversible reactions. In this case, the principle of detailed balance cannot be applied directly. We represent irreversible reactions as limits of reversible steps and obtain the principle of detailed balance for complex mechanisms with some irreversible elementary processes. We proved two consequences of the detailed balance for these mechanisms: the structural condition and the algebraic condition that form together the extended form of detailed balance. The algebraic condition is the principle of detailed balance for the reversible part. The structural condition is: the convex hull of the stoichiometric vectors of the irreversible reactions has empty intersection with the linear span of the stoichiometric vectors of the reversible reaction. Physically, this means that the irreversible reactions cannot be included in oriented pathways. The systems with the extended form of detailed balance are also the limits of the reversible systems with detailed balance when some of the equilibrium concentrations (or activities) tend to zero. Surprisingly, the structure of the limit reaction mechanism crucially depends on the relative speeds of this tendency to zero.

  • 2 authors
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Jan 27, 2011