Llm-Driven

Large Language Models (LLMs) have become increasingly adopted in daily applications, with deep research standing out as a particularly important capability. Unlike traditional question-answering (QA) tasks, deep research report generation lacks definitive ground-truth, making reward design inherently unverifiable and limiting effective reinforcement learning. Existing approaches mitigate this challenge with LLM-as-a-judge and query-dependent evaluation rubrics, but they still rely on static evaluators that cannot adapt their standards as the solver improves, leading to insufficient and eventually saturated optimization pressure. We address this limitation with a \textbf{s}elf-evolving \textbf{co}-evolutionary training framework for deep \textbf{re}search evaluation and generation (SCORE), which tightly couples an evaluator and a solver in a shared-parameter learning process. Rather than treating generation and evaluation as isolated modules, we leverage their intrinsic connection to enable joint improvement within a single shared-parameter model. To restrict this process, we introduce a meta-harness, which dynamically controls the evaluation environment based on solver performance, encouraging valid evaluation dimensions and sufficiently deep evaluator search. Extensive experiments on deep research benchmarks demonstrate consistent improvement in report generation quality, showing that co-evolving evaluation and generation is a promising direction for training open-ended research agents.

Scientific simulators are increasingly being integrated into LLM-driven systems for high-stakes simulation-driven decision-making. However, existing frameworks primarily use LLMs to generate, calibrate, or execute simulators, treating them as black-box interfaces rather than as structured mechanistic systems that can be reasoned about. As a result, current approaches lack the ability to identify, represent, and reason about the assumptions and mechanisms underlying simulator behavior, limiting transparency, auditability, and decision justification. We introduce MechSim, a mechanism-grounded neuro-symbolic reasoning framework for executable scientific simulators. Unlike prior neuro-symbolic approaches that primarily reason over static symbolic structures, MechSim enables LLM agents to reason about the mechanisms, assumptions, and execution behavior of scientific simulators. Our framework represents simulators through a shared structured schema capturing assumptions, variables, mechanism dependencies, and execution traces. On top of this representation, LLM agents operate as constrained reasoning engines that generate structured, evidence-grounded explanations linking simulator outcomes to their underlying mechanisms. We evaluate our approach across multiple high-stakes domains and show that it improves mechanism-level explanation quality, simulator analysis, and downstream decision-making reliability.

Large language models (LLMs) have emerged as powerful foundation models with strong reasoning capabilities across domains. Beyond reactive text generation, agentic LLMs enable autonomous workflow execution through modular task decomposition and coordinated tool use. In structural engineering, recent efforts have developed agentic LLMs for automated analysis of plane frames. However, their extension to 3D frames remains underexplored due to challenges in irregular geometric representation, topological consistency, and long-horizon reasoning. This paper proposes an agentic LLM framework for automated structural analysis of 3D frames from natural language inputs. Irregular 3D frames are represented by projection onto a 2D plan, where orthogonal gridlines define spatial coordinates and a matrix of number of stories encodes vertical extrusion of each grid cell. Building on this representation, the framework establishes a multi-agent pipeline: a problem analysis agent parses input into structured JSON; a floor decomposition agent derives the spatial layout of each floor; the 3D geometry is assembled by node, girder, slab, and column agents; support and load agents assign boundary and loading conditions, and code translation agents generate executable SAP2000 script. Evaluated on ten representative 3D frames, the proposed framework achieves an average accuracy of 90% across repeated trials, demonstrating consistent and reliable performance.

Production inference increasingly targets a heterogeneous mix of accelerators. Agentic pipelines interleave reasoning, tool calls, and multi-agent coordination, each with distinct compute and memory profiles. For optimal efficiency, each stage should run on the accelerator best suited to it. This creates a systems challenge: each pipeline now requires high-performance kernels across a growing set of hardware backends and programming models. Writing these kernels by hand is time-consuming, demands deep low-level expertise, and does not scale as kernel complexity grows. Recently, Large Language Models (LLMs) have been leveraged for automatic kernel generation, but challenges in low-level code generation and cross-backend generalization persist. We present KForge, a cross-platform framework built around an iterative refinement loop driven by two collaborating LLM-based agents: a generation agent that produces and progressively refines kernels using compilation and correctness feedback, and a performance-analysis agent that interprets profiling data, from programmatic APIs to GUI-based tools, and emits recommendations that steer the next round of synthesis. The loop alternates between functional passes, which drive a candidate to correctness, and optimization passes, which close the performance gap to hand-tuned baselines. We evaluate KForge on two backends with very different baseline reference availability. On NVIDIA B200, KForge achieves a 2.12$\%$ improvement in end-to-end throughput compared to TensorRT-LLM on the gpt-oss-20b inference speed benchmark. On Intel Arc B580, KForge generates Triton kernels achieving a 5.13$\times$ geometric mean speedup over the faster of PyTorch eager and torch.compile on 37 GEMM + tail-ops workloads from KernelBench Level 2, primarily via operator fusion and mixed-precision execution.

AI-Driven Research Systems (ADRS) -- systems coupling LLMs with automated evaluation to discover algorithms, proofs, and designs -- are being optimized and adopted across domains, but the tools to analyze them have not kept pace. ADRS performance depends on component interactions that are poorly understood, expensive to explore, and (as we show) not well captured by standard convergence guarantees. These guarantees rely on structural assumptions that do not hold under the ADRS process we formalize. We introduce GAMBLe, a framework that decomposes ADRS behavior into four parameters (generator $G$, assessor $\mathcal{A}$, discovery mechanism $\mathcal{M}$, budget $B$) and one compositional object, the effective landscape $L_{\text{eff}} = \mathcal{A} \circ G$, which reveals that distinct generator-assessor pairs induce structurally different per-problem optimization landscapes. We exercise the framework on 760+ replicated runs (>46,000 iterations) spanning generators from single LLMs to dynamically-adaptive ensembles, mechanisms from greedy selection to co-evolutionary meta-search, and three NP-hard problems whose assessors range from continuous scoring to cliff functions. The experiments reveal no total ordering of generators or mechanisms: frontier models can underperform open-source alternatives and the simplest mechanism sometimes outperforms state-of-the-art meta-search. Results show that even under limited budgets (60 iterations per run), the right component choices can improve performance by 13-67% and search efficiency by 6-39x.

Learned heuristics have recently become a competitive alternative to traditional domain-independent heuristics for satisficing planning. Existing approaches, however, focus on improving search guidance rather than guaranteeing admissibility, which makes them unsuitable for optimal classical planning. We present the first method for learning domain-dependent heuristics that are admissible by design and thus preserve the optimality guarantees of A* search. Instead of learning a direct mapping from states to heuristic values, we learn to construct abstractions that induce admissible heuristics. We use an LLM-driven evolutionary program-synthesis framework to obtain, for each domain, a program that produces a pattern collection for any task in that domain, and we combine the resulting patterns admissibly via saturated cost partitioning. Empirically, the learned programs encode interpretable domain-specific insights, run with negligible overhead at test time and yield heuristics that match the coverage of state-of-the-art domain-independent baselines on several domains while evaluating each state substantially faster.

The integration of Artificial Intelligence (AI) and emerging 6G networks introduces new opportunities for scalable coordination in tactical autonomous vehicle systems. This paper proposes a communication-centric hierarchical architecture for Tactical Autonomous Defense Vehicle Networks (TADVNs) that models the integration of edge-assisted Large Language Model (LLM) reasoning with 6G-enabled connectivity and semantic communication. The framework is designed to improve coordination efficiency, reduce communication overhead, and enhance latency resilience under increasing fleet-scale operation. Unlike conventional task-specific AI pipelines that rely on structured feature processing and rule-based coordination, the proposed approach incorporates semantic abstraction and context-aware decision support within a layered edge-cloud communication architecture. We evaluate communication and coordination performance via Monte Carlo simulations across fleet sizes of 5-30 vehicles under contested network conditions. Results indicate that at a 30-vehicle scale, the 6G-LLM configuration achieves 75.2% latency reduction (29.1 ms vs. 117.5 ms), a 68.7 percentage point increase in mission success rate (82.9% vs. 14.2%), and an 88.6% reduction in communication overhead compared to a 5G-based conventional AI baseline. These findings demonstrate measurable benefits in coordination and communication when semantic reasoning is combined with low-latency 6G connectivity.

LLMs can plan by either generating action sequences directly as a Planner or translating tasks into domain specific language for an external solver as a Formalizer. While most real-world tasks are asynchronous with non-uniform durations, concurrency, and execution-time constraints, existing benchmarks hardly cover them. We unify these asynchronous planning challenges under a single formulation and introduce the first three benchmarks that address each at scale. We conclude that the choice of formal representation primarily determines whether planning scales: as dependency graphs grow from 5 to 100 actions, Planner collapses from 96% to 5% plan accuracy and PDDL2.1 Formalizer from 13% to 0%, while CP-SAT Formalizer averages 94% and still achieves 83% at 100 actions. Faithfulness diagnostics show that PDDL2.1's predicate-based planning representation becomes brittle compared to general constraint satisfaction programs, when LLMs must keep predicates, effects, and goals consistent. Execution-time updates of planning constraints further degrade performance sharply (Planner 23.9%, PDDL2.1 0.7%, CP-SAT 46.1%), but a state-aware repair strategy that updates only event-induced constraints recovers CP-SAT Formalizer to 84.5%.

Large language models (LLMs) show remarkable potential in scientific hypothesis discovery. However, existing approaches face two critical limitations: they treat divergent exploratory search and convergent fine-grained refinement as isolated tasks, and they operate autonomously with little to no human guidance. We present MOOSE-Copilot, the first unified framework to bridge this abstraction gap through a formalized human-AI interaction (HAII) protocol. Our system empowers scientists to steer the generative process via three explicit signals: initial blueprints, inter-stage routing, and intra-stage feedback. Using an oracle-simulated evaluation in which an LLM provides idealized expert signals, we show that injecting these structured signals significantly outperforms purely autonomous baselines, characterizing the gains achievable under high-quality guidance. Furthermore, we build a web-based interface that turns the framework into a no-code workflow: researchers pose a question, watch the hypothesis search unfold as an interactive tree, and steer it by selecting hypotheses, routing between stages, and injecting feedback-no command-line agents required. This makes end-to-end hypothesis discovery directly accessible to interdisciplinary researchers.

Natural language interfaces can simplify interaction with multi-robot systems, especially when non-expert users need to issue high-level commands. Acoustic manipulation using ultrasonic phased arrays also enables contactless object handling for applications such as healthcare, laboratory automation, and precision transport. However, combining large language models (LLMs) with distributed acoustic mobile robots remains underexplored. This paper presents a decentralized framework for natural language-driven coordination of acoustic robots for contactless object manipulation. The system converts spoken instructions into executable multi-robot task plans using Whisper-based speech recognition, LLM-based semantic parsing, structured JSON task representation, and distributed scheduling. The JSON schema encodes robot assignments, temporal dependencies, spatial constraints, and synchronization requirements for sequential, parallel, and synchronized execution. The system is implemented on two TurtleBot3-based acoustic robots, each equipped with an ultrasonic phased array for contactless object transport. Experiments were conducted in three scenarios: sequential execution, parallel multi-robot transport, and synchronized cooperative manipulation. The system achieved task success rates of 96 percent for sequential tasks, 86 percent for parallel execution, and 70 percent for synchronized collaborative transport. These results show that natural language commands can be transformed into distributed robot actions for contactless manipulation, highlighting the potential of LLM-driven automation for human-robot interaction in distributed robotic systems.

In modern industry, dynamic environments and the complexity of modular and reconfigurable resources require automated planning of process sequences. Capability-based planning approaches address this by automatically generating plans from semantic knowledge models that describe resource functions in a machine-interpretable form. Their practical use, however, remains limited: solver feedback, especially in the case of unsatisfiability, is difficult to interpret, and the knowledge models require adaptation as operational conditions change or requests become infeasible. This paper presents a hybrid assistance system that augments an existing capability-based Satisfiability Modulo Theories (SMT) planning approach with an Large Language Model (LLM)-based layer for natural-language interaction, explanation, and adaptation. Formal planning correctness remains with the symbolic planner, while the LLM layer handles natural-language access and flexible knowledge model adaptation under explicit Human-in-the-Loop (HitL) approval. The system decomposes into four components: Capability Grounding, Symbolic Planning, Result Interpretation, and Planning Adaptation, realized as a routed agentic workflow in which a central router delegates to five specialized agents. The system is evaluated on a modular production system across four scenario types. Of 23 test cases, 9 of 10 knowledge queries and all 4 satisfiable planning cases were handled correctly, 3 of 4 unsatisfiable cases produced concrete repair proposals, and all 5 adaptive planning scenarios resolved into satisfiable plans through iterative, user-approved knowledge model modifications. The findings confirm that combining formal planning with LLM-based assistance substantially improves accessibility and adaptability in industrial automation.

As REST APIs become an increasingly significant part of software systems, their validation is becoming more critical. Hence, testing and uncovering underlying issues are of utmost importance for improving software quality. However, testing REST APIs is challenging mainly due to the difficulty of assessing whether the output of an API call is correct, i.e., the test oracle problem. Metamorphic testing is a specification-based testing approach for situations where correct outputs are unknown or not specified explicitly. To check the correctness of a system, relations between the different outputs are specified. We present ARMeta, a tool-supported approach that uses an LLM-based multi-agent workflow to support metamorphic testing of REST APIs documented with OpenAPI. The agentic workflow is used to identify metamorphic test scenarios and specify them in the Given-When-Then format. These scenarios are automatically implemented as executable tests and executed against the system under test. We evaluate ARMeta on two publicly available web applications that expose REST interfaces and compare its performance with a scenario-based testing baseline. The results show that ARMeta explores behaviors that serve as a complement to existing scenario-based testing approaches.

Educational virtual laboratories can make experimental training more scala-ble, adaptive, and accessible, especially when students have limited access to physical laboratory facilities. However, authoring new simulated laboratory procedures remains costly: educators must describe new equipment, define how instruments and materials interact, and specify valid procedural flows that can be executed or assessed inside the virtual environment. Large lan-guage models can assist in this authoring process by generating detailed ex-perimental procedures, but their output should not be treated as directly exe-cutable plans. They may omit necessary actions, arrange steps in the wrong order, or produce instructions that are logically incorrect or incompatible with the laboratory equipment. This paper presents a prototype framework for managing uncertainty in LLM-generated procedural knowledge for virtu-al laboratory planning. The framework aims to reduce procedural uncertainty by using structured domain representations and uncertain LLM-generated state-transition samples to extract candidate procedural rules, transform them into explicit and inspectable constraints, and use them to repair uncertain procedural steps. Although the motivating domain refers to educational vir-tual laboratories, the underlying problem is more general: managing uncer-tain procedural knowledge for action planning in structured interactive envi-ronments. We illustrate the approach in a virtual laboratory domain involving laboratory instruments, containers, tools, and material-transfer actions.

Existing Large Language Model (LLM) approaches to SystemVerilog Assertion (SVA) generation primarily focus on syntactic validity and formal verification outcomes, while semantic alignment between generated assertions and natural language specifications remains difficult to quantify. As a result, hallucinated or misaligned SVAs can reduce confidence and increase debugging efforts in the absence of golden RTL. This paper presents SpecAlign, a framework for semantic evaluation and refinement of LLM-generated SVAs. SpecAlign introduces two iterative alignment loops that assess both natural language properties and SVAs against the design specification using entailment-based classification. We improve alignment decisions by generating multiple reasoning paths using chain-of-thought prompting and aggregating them via a self-consistency voting mechanism. Misaligned assertions are analyzed to generate actionable feedback for refinement. We further define a quantitative alignment score to measure semantic consistency across iterations. Experimental results demonstrate that SpecAlign effectively detects semantic inconsistencies and improves assertion alignment without relying on golden RTL, providing a scalable complement to traditional formal verification evaluation metrics.

The Open Radio Access Network (O-RAN) architecture allows AI to be embedded directly into the RAN through modular xApps and rApps, yet creating these applications collecting data, training models, writing code, and deploying them safely remains slow and largely manual. Large Language Models (LLMs) offer strong reasoning and code-generation capabilities but are unsuited for the fast, deterministic inference required in real-time RAN control. We present a proof-of-concept Dual-Brain architecture that combines both strengths: an LLM-based orchestrator translates operator intents into data-collection policies and deployment code, while an automated ML engine, NeuralSmith, trains lightweight classifiers on demand via an API. We describe the architecture and provisioning workflow, share practical insights from a containerized O-RAN 5G~SA testbed, and discuss open research directions.

Scientific discovery is a closed-loop process in which hypotheses guide data acquisition and observations refine the hypothesis space. Yet most approaches reduce discovery to supervised learning over fixed datasets, where limited observations can support multiple plausible mechanisms that fit locally but fail to generalize. Thus, the key challenge is selecting informative observations to resolve uncertainty, shifting the focus from static inference to adaptive data acquisition. To address this, we propose LLM-AutoSciLab, a closed-loop framework that couples hypothesis generation with hypothesis-conditioned experiment selection and mechanism refinement. Rather than fitting models to passively collected data, LLM-AutoSciLab iteratively proposes plausible hypotheses, selects informative experiments to distinguish or refine them, and updates its state using the resulting evidence. To evaluate dynamic, closed-loop scientific discovery with active data acquisition, we introduce ActiveSciBench, comprising two datasets: ActiveSciBench-Chem with 57 enzyme-kinetics tasks and ActiveSciBench-GRN with 45 gene-regulatory-network tasks. These datasets model discovery as a budget-constrained process requiring adaptive experiment design, variable selection, and recovery of true mechanisms. Across NewtonBench, ActiveSciBench-Chem, and ActiveSciBench-GRN, LLM-AutoSciLab outperforms prior methods, achieving 67.6% and 35.1% symbolic accuracy on NewtonBench and ActiveSciBench-Chem, respectively, and 31.1% exact graph recovery on ActiveSciBench-GRN. Moreover, hypothesis-guided experimentation is 2-5x more sample-efficient than the strongest competing baselines. Code and data are available at: https://github.com/scientific-discovery/LLM-AutoSciLab

In model-driven engineering, metamodel evolution leads to the need to adapt corresponding grammars to maintain consistency, which typically requires tedious manual work. Existing rule-based methods can achieve partial automation but have limitations when handling complex grammar scenarios. This paper proposes a Large Language Model-based approach that automatically applies adaptations to new grammars after evolution by learning grammar adaptations from previous versions. We evaluated this approach on six real-world Xtext domain-specific languages, using four DSLs as a training set to develop prompting strategies, two DSLs as a test set for validation, and conducting a longitudinal case study on QVTo. The evaluation used three Large Language Models (Claude Sonnet 4.5, ChatGPT 5.1, Gemini 3) and measured grammar adaptation quality from three dimensions: grammar rule-level adaptation consistency, output similarity, and metamodel conformance. Results show that on the test set, all three LLMs achieved 100% adaptation consistency and output similarity, while the rule-based approach achieved only 84.21% on DOT and 62.50% on Xcore. In the QVTo longitudinal study, the LLM-based approach successfully reused learned adaptations across all three evolution steps without manual grammar editing, while the rule-based approach required manual adjustments in two of three transitions. However, on large-scale grammars (EAST-ADL, 297 rules), LLMs' adaptation consistency was far below 90%. This study demonstrates the advantages of LLM-based approaches in handling complex grammar scenarios, while revealing their limitations in large-scale grammar adaptation.

Large language models show strong potential for automated code generation, but lack guarantees for correctness, quality, safety, and domain-specific constraints. For instance in robotics, where code generation is increasingly being used for planning and executing actions, awareness of the environment and physical constraints is critical. To facilitate the adaption of code-generating LLMs to diverse requirements, including domain-specific ones, we present a reinforcement learning framework that fine-tunes pre-trained LLMs using proximal policy optimization. Our customizable execution-aware reward formula captures and optimizes syntax, functional correctness, code style, security, and simulator executability. A token-level reward mapping mechanism enables effective credit assignment from execution outcomes to generated tokens. The framework is evaluated on general-purpose code generation (MBPP/MBPP+) and robotic program synthesis (RoboEval). The results show substantial improvements in functional correctness and simulator executability, including an absolute pass@1 increase of 19% on MBPP and a reduction in execution failures by 51% on RoboEval. These findings demonstrate that structured reinforcement learning can effectively align language models to correct program generation and domain-specific requirements.

Communication is a key component in multi-agent reinforcement learning (MARL) for mitigating partial observability, yet prior approaches often rely on inefficient information exchange or fail to transmit sufficient state information. To address this, we propose LLM-driven Multi-Agent Communication (LMAC), which leverages an LLM's reasoning capability to design a communication protocol that enables all agents to reconstruct the underlying state as accurately and uniformly as possible. LMAC iteratively refines the protocol using an explicit state-awareness criterion, improving state recovery while narrowing differences in agents' knowledge. Experiments on diverse MARL benchmarks show that LMAC improves state reconstruction across agents and yields substantial performance gains over prior communication baselines.

Arguments are a fundamental aspect of human reasoning, in which claims are supported, challenged, and weighed against one another. We present an end-to-end large language model (LLM)-based system for reconstructing arguments from natural language text into abstract argument graphs. The system follows a multi-stage pipeline that progressively identifies argumentative components, selects relevant elements, and uncovers their logical relations. These elements are represented as directed acyclic graphs consisting of two component types (premises and conclusions) and three relation types (support, attack, and undercut). We conduct two complementary experiments to evaluate the system. First, we perform a manual evaluation on arguments drawn from an argumentation theory textbook to assess the system's ability to recover argumentative structure. Second, we conduct a quantitative evaluation on benchmark datasets, allowing comparison with prior work by mapping our outputs to established annotation schemes. Results show that the system can adequately recover argumentative structures and, when adapted to different annotation schemes, achieve reasonable performance across benchmark datasets. These findings highlight the potential of LLM-based pipelines for scalable argument mining.

Robust optimization (RO) provides a principled framework for decision-making under uncertainty, but its practical use is often limited by the need to manually reformulate uncertain optimization models into tractable deterministic counterparts. Recent large language models (LLMs) have been shown promising for automating optimization formulation, yet RO reformulation remains challenging because it requires precise multi-step reasoning and mathematically consistent transformations. To facilitate systematic evaluation of LLM-based reformulation, for which no dedicated benchmark currently exists, we develop AutoRO-Bench, a benchmark featuring an automated data generation pipeline for the core RO reformulation task and a curated dataset for the RO application task. To address the reformulation challenge, we propose Automated Reformulation with Experience Memory (AutoREM), a tuning-free memory-augmented framework that autonomously builds a structured textual experience memory by reflecting on past failed trajectories through a tailored offline adaptation procedure. AutoREM requires neither domain-specific expert knowledge nor parameter updates, and the resulting memory readily transfers across different base LLMs. Experimental results show that AutoREM consistently improves the accuracy and efficiency of RO reformulation across in-distribution datasets, out-of-distribution datasets, and diverse base LLMs.

Autonomous science promises to augment scientific discovery, particularly in complex fields like biomedicine. However, this requires AI systems that can consistently generate novel and diverse solutions to open-ended problems. We evaluate LLMs on the task of open-ended solution generation and quantify their tendency to mode collapse into low-diversity generations. To mitigate this mode collapse, we introduce analogical reasoning (AR) as a new approach to solution generation. AR generates analogies to cross-domain problems based on shared relational structure, then uses those analogies to search for novel solutions. Compared to baselines, AR discovers significantly more diverse generations (improving solution diversity metrics by 90-173%), generates novel solutions over 50% of the time (compared to as little as 1.6% for baselines), and produces high-quality analogies. To validate the real-world feasibility of AR, we implement AR-generated solutions across four biomedical problems, yielding consistent quantitative gains. AR-generated approaches achieve a nearly 13-fold improvement on distributional metrics for perturbation effect prediction, outperform all baselines on AUPRC when predicting cell-cell communication, infer brain region interactions with a high Spearman correlation ($ρ$=0.729) to published methods, and establish state-of-the-art performance on 2 datasets for oligonucleotide property prediction. The novel and diverse solutions produced by AR can be used to augment the search space of existing solution generation methods.

The companion paper introduced a four-level verification lattice on agent-skill manifests (unverified, declared, tested, formal) and left the top level aspirational. This paper closes that gap. We give a precise semantics for skill behaviour faithful to how a skill is consumed by an LLM-driven runtime (a deterministic script-side reachable through a non-deterministic LLM-side), state the verification problem as a capability-containment property over that semantics, and present three composable methods that together raise a skill from declared or tested to formal: (1) sound static capability-containment analysis of the script-side via abstract interpretation over a small effect lattice; (2) a refinement type system for tool-call envelopes that mechanically rejects any call whose statically-inferred capability is not in the manifest's declared set; (3) SMT-bounded model checking against the parent paper's biconditional correctness criterion, with the bound chosen so any counter-example fitting the runtime's transaction-buffer horizon is exhibited as a concrete trace. We prove the three layers composed soundly cover the parent paper's threat model modulo a single residual (the LLM's freedom to refuse to act) that the parent paper's runtime biconditional catches at session boundary. The methods reuse existing well-engineered tools (Z3, Semgrep, CodeQL, refinement-type checkers, mechanised proof assistants) rather than asking operators to build new ones, and the proof-carrying artifact extends the existing SKILL.md convention. All three methods plus the bundle producer and re-checker ship as zero-dependency JavaScript modules in the open-source enclawed framework (https://github.com/metereconsulting/enclawed; project page https://www.enclawed.com/), with 53 unit tests and an end-to-end CLI demo on a sample skill.

Traditional simulation methods reproduce occurred emergency instances through presetting to assist people in risk assessment and emergency decision-making. However, due to the lack of randomness and diversity, existing simulation systems struggle to fully explore the potential risk as emergency instances are scarce. In contrast, Large Models (LMs) can dynamically adjust generation strategies to introduce controllable randomness, while also possessing extensive prior knowledge and cross-domain knowledge transfer capabilities. Inspired by it, we propose the LMs-driven World Line Divergence System (WLDS), which enables diversified visualization and deduction of emergency instances in different domains. WLDS leverages LMs to deduce emergency instances in various development directions, and introduces the factual calibration and logical calibration mechanism to ensure factual accuracy and logical rigor during the deduction process. The interactive module can independently select deduction directions to avoid potential hallucinations that are difficult for the system to identify. Furthermore, by introducing the visualization module, WLDS forms simulation and deduction that combine text and images, which enhances interpretability. Extensive experiments conducted on the proposed Emergency Instances Deduction (EID) benchmark dataset demonstrate that WLDS achieves high-precision and high-fidelity simulation and deduction of emergency instances in multiple specific domains. Relevant experiments further demonstrate that WLDS can generate more emergency instances deduction data for users and provide support for better decision-making in similar emergency instances in the future.

Autonomous experimentation has transformed microscopy and materials discovery by enabling closed-loop optimization including imaging and spectroscopy tuning, strucutre property relationship discovery, and exploration of combinatorial libraries. However, most current workflows remain limited to selecting measurements within fixed objective or hypothesis spaces, rather than generating new physical models from experimental data. Here, we introduce an open hypothesis-learning framework that combines symbolic regression with large-language-model-based physical evaluation and implement it for autonomous scanning probe microscopy. Symbolic regression generates candidate analytical relationships directly from sparse measurements, while the language-model evaluator ranks these candidates according to physical plausibility, scaling behavior, and consistency with known mechanisms. We demonstrate the approach on autonomous piezoresponse force microscopy measurements of ferroelectric domain switching in a PZT thin film. Starting from five seed measurements, the workflow evolves from physically incomplete candidate expressions toward interpretable voltage-time growth laws consistent with kinetic domain-wall motion. This work extends autonomous microscopy from closed-loop optimization toward open hypothesis discovery, where candidate physical laws emerge from the experiment itself rather than being specified in advance. More broadly, the framework establishes a route for integrating symbolic regression, physical reasoning, and adaptive experimentation into hierarchical autonomous scientific workflows.

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

The integration of Large Language Model (LLM) reasoning principles into classical robot path planning represents a rapidly emerging research direction. In this paper, we propose a Semantic Risk-Aware Heuristic (SRAH) planner that encodes LLM-inspired cost functions penalising geometrically cluttered or high-risk zones into an A$^*$ search framework, augmented with closed-loop replanning upon dynamic obstacle detection. We evaluate SRAH against two established baselines Breadth-First Search (BFS) with replanning and a Greedy heuristic without replanning across 200 randomised trials in a $15{\times}15$ grid-world with 20% static obstacle density and stochastic dynamic obstacles. SRAH achieves a task success rate of 62.0%, outperforming BFS (56.5%) by 9.7% relative improvement and Greedy (4.0%) by a large margin. We further analyse the trade-off between planning overhead, path efficiency, and failure-recovery count, and demonstrate via an obstacle-density ablation that semantic cost shaping consistently improves navigation across environments of varying difficulty. Our results suggest that even lightweight, LLM-inspired heuristics provide measurable safety and robustness gains for autonomous robot navigation.

State-of-the-art Large Language Models (LLMs) excel in code generation at the function level. However, the output quality significantly declines when scaling to repository-level systems. Current workflows relying only on natural language prompts suffer from inherent ambiguity and a lack of verifiability. To address this, we propose structured spec-driven engineering (SSDE), a paradigm that leverages structured artifacts to guide LLM generation. We argue that structured specifications as LLM inputs make high-quality, repository-level code generation a tangible goal, while at the same time offering superior verifiability, leading to significant potential for improvement. We first investigate the feasibility of this vision through a pilot study generating Model-View-Controller (MVC) business logic for three software systems using five LLMs, and then highlight the potential, challenges, and future roadmap for SSDE.

Single-agent systems (SAS) have become the default pattern for LLM-driven scientific workflows, but routing planning, tool use, and synthesis through a single context window comes with a well-known cost: as tool specifications and observational traces accumulate, the effective context available for each decision shrinks, and end-to-end reliability suffers. We present a multi-agent system (MAS) prototype for hydrodynamics in which specialized agents are coordinated through a Layer Execution Graph (LEG). A planner agent constructs query-specific execution topologies from natural-language routing heuristics that capture domain knowledge without hard-coding it as rigid control logic; specialist agents operate under strict tool allowlists and occupy complementary data-class roles. Between layers, consolidator agents fuse parallel outputs into concise briefs, and a reporter agent synthesizes the final response, while the runtime logs provenance for every tool invocation to support auditability. All benchmarks, ablations, and stress tests use Claude Sonnet~4.6 as the backbone model for both specialist and general-purpose agents. Evaluated on 37 queries spanning six complexity categories, the prototype achieves 93.6% factual precision with a 100% pass rate. Accuracy remains above 90% across runs from single-threaded to five independent parallel tracks, and under simulated loss of individual data sources the system degrades gracefully, still returning substantive partial answers. Together, these results suggest that planner-guided, graph-structured multi-agent orchestration can meaningfully alleviate the context-saturation bottlenecks that constrain monolithic single-agent architectures.

Recent large language models (LLMs) have achieved impressive reasoning milestones but continue to struggle with high computational costs, logical inconsistencies, and sharp performance degradation on high-complexity problems. While neuro-symbolic methods attempt to mitigate these issues by coupling LLMs with symbolic reasoners, existing approaches typically rely on monotonic logics (e.g., SMT) that cannot represent defeasible reasoning -- essential components of human cognition. We present "LLM+ASP," a framework that translates natural language into Answer Set Programming (ASP), a nonmonotonic formalism based on stable model semantics. Unlike prior "LLM+ASP" approaches that require manually authored knowledge modules, domain-specific prompts, or evaluation restricted to single problem classes, our framework operates without any per-task engineering and applies uniformly across diverse reasoning tasks. Our system utilizes an automated self-correction loop where structured feedback from the ASP solver enables iterative refinement. Evaluating across six diverse benchmarks, we demonstrate that: (1) stable model semantics allow LLMs to naturally express default rules and exceptions, outperforming SMT-based alternatives by significant margins on nonmonotonic tasks; (2) iterative self-correction is the primary driver of performance, effectively replacing the need for handcrafted domain knowledge; (3) compact in-context reference guides substantially outperform verbose documentation, revealing a "context rot" phenomenon where excessive context hinders constraint adherence.

Integrated Circuit (IC) verification consumes nearly 70% of the IC development cycle, and recent research leverages Large Language Models (LLMs) to automatically generate testbenches and reduce verification overhead. However, LLMs have difficulty generating testbenches correctly. Unlike high-level programming languages, Hardware Description Languages (HDLs) are extremely rare in LLMs training data, leading LLMs to produce incorrect code. To overcome challenges when using LLMs to generate Universal Verification Methodology (UVM) testbenches and sequences, wepropose HAVEN (Hybrid Automated Verification ENgine) to prevent LLMs from writing HDL directly. For UVM testbench generation, HAVEN utilizes LLM agents to analyze design specifications to produce a structured architectural plan. The HAVEN Template Engine then combines with predefined and protocol-specific templates to generate all UVM components with correct bus-handshake timing. For UVM sequence generation, HAVEN introduces a Protocol-Aware Sequence Domain-Specific Language (DSL) that decomposes sequences into fine-grained step types. A set of predefined DSL patterns first establishes sequences that achieve a high coverage rate without LLM involvement. HAVEN continues to improve the coverage rate by iteratively leveraging LLM agents to analyze coverage gap reports and compose additional targeted DSL sequences. Unlike previous works, HAVEN is the first system that utilizes pre-defined, protocol-specific Jinja2 templates to generate all UVM components and UVM sequences using our proposed Protocol-Aware DSL and rule-based code generator. Our experimental results on 19 open-source IP designs spanning three interface protocols (Direct, Wishbone, AXI4-Lite) show that HAVEN achieves 100% compilation success, 90.6% code coverage, and 87.9% functional coverage on average, and is SOTA among LLM-assisted testbench generation systems.

Large language models (LLMs) accelerate software development but often exhibit instability, non-determinism, and weak adherence to development discipline in unconstrained workflows. While test-driven development (TDD) provides a structured Red-Green-Refactor process, existing LLM-based approaches typically use tests as auxiliary inputs rather than enforceable process constraints. We present an AI-native TDD framework that operationalizes classical TDD principles as structured prompt-level and workflow-level governance mechanisms. Extracted principles are formalized in a machine-readable manifesto and distributed across planning, generation, repair, and validation stages within a layered architecture that separates model proposal from deterministic engine authority. The system enforces phase ordering, bounded repair loops, validation gates, and atomic mutation control to improve stability and reproducibility. We describe architecture and discuss encoding software engineering discipline directly into prompt orchestration, which we think offers a promising direction for reliable LLM-assisted development.

Designing the architecture of modern networked systems requires navigating a large, combinatorial space of hardware, systems, and configuration choices with complex cross-layer interactions. Architects must balance competing objectives such as performance, cost, and deployability while satisfying compatibility and resource constraints, often relying on scattered rules-of-thumb drawn from benchmarks, papers, documentation, and expert experience. This raises a natural question: can large language models (LLMs) reliably perform this kind of architectural reasoning? We find that they cannot. While LLMs produce plausible configurations, they frequently miss critical constraints, encode incorrect assumptions, and exhibit stickiness'' to familiar patterns. A natural workaround--iterative validation via simulation or experimentation--is often prohibitively expensive at scale and, in many cases, infeasible, particularly when comparing hardware-dependent alternatives. Motivated by this gap, we present Kepler, a lightweight reasoning framework for architecture design that combines structured, expert-driven specifications with SMT-based optimization. Kepler encodes architecturally significant properties--requirements, incompatibilities, and qualitative trade-offs--about systems, hardware, and workloads as constraints, and synthesizes feasible designs that optimize user-defined objectives. It operates at an abstract level, capturing rules-of-thumb'' rather than detailed system behavior, enabling tractable reasoning while preserving key interactions, and provides explanations for its decisions. Through experiments and case studies, we show that Kepler uncovers interactions missed by LLMs and supports systematic, explainable design exploration.

User simulation has long played a vital role in computer science due to its potential to support a wide range of applications. Language, as the primary medium of human communication, forms the foundation of social interaction and behavior. Consequently, simulating conversational behavior has become a key area of study. Recent advancements in large language models (LLMs) have significantly catalyzed progress in this domain by enabling high-fidelity generation of synthetic user conversation. In this paper, we survey recent advancements in LLM-based conversational user simulation. We introduce a novel taxonomy covering user granularity and simulation objectives. Additionally, we systematically analyze core techniques and evaluation methodologies. We aim to keep the research community informed of the latest advancements in conversational user simulation and to further facilitate future research by identifying open challenges and organizing existing work under a unified framework.

Uncertainty in large language model (LLM)-based systems is often studied at the level of a single model output, yet deployed LLM applications are compound systems in which uncertainty is transformed and reused across model internals, workflow stages, component boundaries, persistent state, and human or organisational processes. Without principled treatment of how uncertainty is carried and reused across these boundaries, early errors can propagate and compound in ways that are difficult to detect and govern. This paper develops a systems-level account of uncertainty propagation. It introduces a conceptual framing for characterising propagated uncertainty signals, presents a structured taxonomy spanning intra-model (P1), system-level (P2), and socio-technical (P3) propagation mechanisms, synthesises cross-cutting engineering insights, and identifies five open research challenges.

Large language models (LLMs) have become central to modern AI workflows, powering applications from open-ended text generation to complex agent-based reasoning. However, debugging these models remains a persistent challenge due to their opaque and probabilistic nature and the difficulty of diagnosing errors across diverse tasks and settings. This paper introduces a systematic approach for LLM debugging that treats models as observable systems, providing structured, model-agnostic methods from issue detection to model refinement. By unifying evaluation, interpretability, and error-analysis practices, our approach enables practitioners to iteratively diagnose model weaknesses, refine prompts and model parameters, and adapt data for fine-tuning or assessment, while remaining effective in contexts where standardized benchmarks and evaluation criteria are lacking. We argue that such a structured methodology not only accelerates troubleshooting but also fosters reproducibility, transparency, and scalability in the deployment of LLM-based systems.

Formalising informal mathematical reasoning into formally verifiable code is a significant challenge for large language models. In scientific fields such as physics, domain-specific machinery (\textit{e.g.} Dirac notation, vector calculus) imposes additional formalisation challenges that modern LLMs and agentic approaches have yet to tackle. To aid autoformalisation in scientific domains, we present FormalScience; a domain-agnostic human-in-the-loop agentic pipeline that enables a single domain expert (without deep formal language experience) to produce \textit{syntactically correct} and \textit{semantically aligned} formal proofs of informal reasoning for low economic cost. Applying FormalScience to physics, we construct FormalPhysics, a dataset of 200 university-level (LaTeX) physics problems and solutions (primarily quantum mechanics and electromagnetism), along with their Lean4 formal representations. Compared to existing formal math benchmarks, FormalPhysics achieves perfect formal validity and exhibits greater statement complexity. We evaluate open-source models and proprietary systems on a statement autoformalisation task on our dataset via zero-shot prompting, self-refinement with error feedback, and a novel multi-stage agentic approach, and explore autoformalisation limitations in modern LLM-based approaches. We provide the first systematic characterisation of semantic drift in physics autoformalisation in terms of concepts such as notational collapse and abstraction elevation which reveals what formal language verifies when full semantic preservation is unattainable. We release the codebase together with an interactive UI-based FormalScience system which facilitates autoformalisation and theorem proving in scientific domains beyond physics.https://github.com/jmeadows17/formal-science

Autonomous robots operating in open environments need the ability to continuously handle tasks that are not covered by predefined local methods. However, existing approaches often rely on repeated large-language-model (LLM) interaction for uncovered tasks, and even successful executions or observed successful external behaviors are not always autonomously transformed into reusable local knowledge. In this paper, we propose an LLM-driven closed-loop autonomous learning framework for robots facing uncovered tasks in open environments. The proposed framework first retrieves the local method library to determine whether a reusable solution already exists for the current task or observed event. If no suitable method is found, it triggers an autonomous learning process in which the LLM serves as a high-level reasoning component for task analysis, candidate model selection, data collection planning, and execution or observation strategy organization. The robot then learns from both self-execution and active observation, performs quasi-real-time training and adjustment, and consolidates the validated result into the local method library for future reuse. Through this recurring closed-loop process, the robot gradually converts both execution-derived and observation-derived experience into reusable local capability while reducing future dependence on repeated external LLM interaction. Results show that the proposed framework reduces execution time and LLM dependence in both repeated-task self-execution and observation-driven settings, for example reducing the average total execution time from 7.7772s to 6.7779s and the average number of LLM calls per task from 1.0 to 0.2 in the repeated-task self-execution experiments.

Integrating Large Language Models (LLMs) into complex software systems enables the generation of human-understandable explanations of opaque AI processes, such as automated task planning. However, the quality and reliability of these explanations heavily depend on effective prompt engineering. The lack of a systematic understanding of how diverse stakeholder groups formulate and refine prompts hinders the development of tools that can automate this process. We introduce COMPASS (COgnitive Modelling for Prompt Automated SynthesiS), a proof-of-concept self-adaptive approach that formalises prompt engineering as a cognitive and probabilistic decision-making process. COMPASS models unobservable users' latent cognitive states, such as attention and comprehension, uncertainty, and observable interaction cues as a POMDP, whose synthesised policy enables adaptive generation of explanations and prompt refinements. We evaluate COMPASS using two diverse cyber-physical system case studies to assess the adaptive explanation generation and their qualities, both quantitatively and qualitatively. Our results demonstrate the feasibility of COMPASS integrating human cognition and user profile's feedback into automated prompt synthesis in complex task planning systems.

The integration of Large Language Models (LLMs) into scientific workflows presents exciting opportunities to accelerate biomedical discovery. However, the reactive nature of LLMs, which respond only when prompted, limits their effectiveness in collaborative settings that demand foresight and autonomous engagement. In this study, we introduce CoLabScience, a proactive LLM assistant designed to enhance biomedical collaboration between AI systems and human experts through timely, context-aware interventions. At the core of our method is PULI (Positive-Unlabeled Learning-to-Intervene), a novel framework trained with a reinforcement learning objective to determine when and how to intervene in streaming scientific discussions, by leveraging the team's project proposal and long- and short-term conversational memory. To support this work, we introduce BSDD (Biomedical Streaming Dialogue Dataset), a new benchmark of simulated research discussion dialogues with intervention points derived from PubMed articles. Experimental results show that PULI significantly outperforms existing baselines in both intervention precision and collaborative task utility, highlighting the potential of proactive LLMs as intelligent scientific assistants.

Vibe coding inherently assumes iterative refinement of LLM-generated code through feedback loops. While effective for conventional software tasks, its reliability in runtime-adaptive systems is unclear -- especially when generated code is not manually inspected. This paper studies feedback-based automated verification of LLM-generated adaptation managers in Collective Adaptive Systems (CAS). We focus on the key challenges of verification in the loop: how to detect failures of generated code at runtime and how to report them precisely enough for an LLM to fix them. We combine the adaptation loop with a vibe-coding feedback loop where correctness is checked against (i) generic architectural constraints and (ii) functional constraints formalized in Functional Constraints Logic (FCL), a novel first-order temporal logic over potentially finite traces. Conducting the Dragon Hunt CAS case study, we show that fine-grained constraint violations provide actionable feedback that typically yields a valid adaptation manager within a few iterations, while simple coarse metric-based feedback often stalls. Our findings suggest that feedback precision is the dominant factor for reliable vibe coding in systems designed by domain experts with no programming skills, thereby obviating the need for human code inspection.

Robotic path planning problems are often NP-hard, and practical solutions typically rely on approximation algorithms with provable performance guarantees for general cases. While designing such algorithms is challenging, formally proving their approximation optimality is even more demanding, which requires domain-specific geometric insights and multi-step mathematical reasoning over complex operational constraints. Recent Large Language Models (LLMs) have demonstrated strong performance on mathematical reasoning benchmarks, yet their ability to assist with research-level optimality proofs in robotic path planning remains under-explored. In this work, we introduce the first benchmark for evaluating LLMs on approximation-ratio proofs of robotic path planning algorithms. The benchmark consists of 34 research-grade proof tasks spanning diverse planning problem types and complexity levels, each requiring structured reasoning over algorithm descriptions, problem constraints, and theoretical guarantees. Our evaluation of state-of-the-art proprietary and open-source LLMs reveals that even the strongest models struggle to produce fully valid proofs without external domain knowledge. However, providing LLMs with task-specific in-context lemmas substantially improves reasoning quality, a factor that is more effective than generic chain-of-thought prompting or supplying the ground-truth approximation ratio as posterior knowledge. We further provide fine-grained error analysis to characterize common logical failures and hallucinations, and demonstrate how each error type can be mitigated through targeted context augmentation.

Automated methods for discovering mechanistic simulator models from observational data offer a promising path toward accelerating scientific progress. Such methods often take the form of agentic-style iterative workflows that repeatedly propose and revise candidate models by imitating human discovery processes. However, existing LLM-based approaches typically implement such workflows via hand-crafted heuristic procedures, without an explicit probabilistic formulation. We recast model discovery as probabilistic inference, i.e., as sampling from an unknown distribution over mechanistic models capable of explaining the data. This perspective provides a unified way to reason about model proposal, refinement, and selection within a single inference framework. As a concrete instantiation of this view, we introduce ModelSMC, an algorithm based on Sequential Monte Carlo sampling. ModelSMC represents candidate models as particles which are iteratively proposed and refined by an LLM, and weighted using likelihood-based criteria. Experiments on real-world scientific systems illustrate that this formulation discovers models with interpretable mechanisms and improves posterior predictive checks. More broadly, this perspective provides a probabilistic lens for understanding and developing LLM-based approaches to model discovery.

Geospatial applications such as urban planning, epidemic forecasting, and transportation demand modeling depend on individual mobility data, but such data are costly to collect, uneven in coverage, and privacy-sensitive. Human mobility simulation offers a scalable alternative. A recent line of work treats large language models (LLMs) as human agents, modeling individual cognitive processes to generate realistic trajectories. Yet because each agent is simulated in isolation, these methods provide no population-level coordination mechanism, and the collective regularities of real mobility - how trip distances, visited locations, and flows distribute across a population - fail to emerge. We close this gap with COMPASS, which turns empirical mobility scaling laws into a feedback signal that guides prompt construction. COMPASS starts from coarse, population-level adjustments driven by these scaling laws and progressively refines them into individual prompts, jointly satisfying multiple aggregate objectives while keeping individual trajectories realistic. Across two public datasets, COMPASS outperforms state-of-the-art LLM-based simulators.

Large Language Models (LLMs) are unable to reliably reason about specific physical systems. Attempts to imbue LLMs with knowledge of the necessary physics concepts have shown great promise, but explainability and validation remain open challenges. An emerging alternative is tooling, where LLMs can query physical simulators and use the resulting simulation traces as context for validation. This approach suffers from poor scalability since simulation traces contain large volumes of fine-grained numerical and semantic data. We show that translating simulation traces to a sparse representation of "high-level" structural patterns leads to more effective interpretation by LLMs. We propose an unsupervised learning scheme to perform this translation, or annotation, via program synthesis. Our learning results in a library of programs that act as pattern detectors which can translate simulation traces to sparse, annotated pattern sequences. The detected patterns may optionally be guided by human experts via string labels (rigid collision, stretching spring, etc.). We show, using a recent physics benchmark, that such annotated representations are more amenable to natural language reasoning about specific physical systems. The synthesized programs serve as transparent, explainable functions that map system states to a sparse and efficient annotation space. As an example application, we show how goals within physical systems that are specified in natural language may be converted to reward programs which are maximized to find solutions.

We explore the potential of Large Language Models (LLMs), Retrieval-Augmented Generation (RAG), and Graph-based RAG (GraphRAG) for generating Design Structure Matrices (DSMs). We test these methods on two distinct use cases--a power screwdriver and a CubeSat with known architectural references--evaluating their performance on two key tasks: determining relationships between predefined components, and the more complex challenge of identifying components and their subsequent relationships. We measure the performance by assessing each element of the DSM and overall architecture. Despite design and computational challenges, we identify opportunities for automated DSM generation, with all code publicly available for reproducibility and further feedback from the domain experts.

Generative AI offers new opportunities for individualized and adaptive learning, e.g., through large language model (LLM)-based feedback systems. While LLMs can produce factually correct feedback for relatively straightforward conceptual tasks, delivering high-quality feedback for tasks that require advanced domain expertise, such as physics problem solving, remains a substantial challenge. This study presents the design and implementation of an LLM-based feedback system for physics problem solving grounded in evidence-centered design and reports a first evaluation within the German Physics Olympiad. Participants rated the usefulness and correctness of the generated feedback for each implemented problem. The collected ratings indicate that the feedback was generally perceived as useful and highly correct. However, an in-depth analysis revealed that the feedback contained errors in 20% of cases; errors that often went unnoticed by the students. We discuss the risks associated with uncritical reliance on LLM-based feedback and outline potential directions for generating more adaptive and reliable LLM-based feedback in the future.

Large language models (LLMs) enable natural-language interaction in engineering modeling, but generated models may violate structural constraints, domain rules, or task requirements. We propose a metamodel-guided model generation method that coordinates generation-time constraints and post-generation validation. The method transforms metamodel information, uses its terminology to guide structured constraint extraction from specifications, and links constraints to metamodel elements while recording their sources in an Integrated Constraint Model (ICM). For each task, relevant constraints are bound to concrete objects, values, and references. The generation-time constraint layer (L1) restricts candidate content. The post-generation validation layer (L2) checks constructed models and serialized artifacts, and task acceptance checks retain the original requirements throughout repair. Deterministic procedures construct and serialize models, while LLMs propose candidate content and repairs. Validation uses existing domain tools and checkers written by humans with LLM assistance. Experiments cover AUTOSAR, railway models, and structured decisions in private international law. All 60 AUTOSAR generation runs passed acceptance within the declared task scope, and all 255 resulting ARXML files passed XSD validation. In a separate controlled AUTOSAR repair experiment, all 85 core fault units and 15 prespecified substitute units were restored within one repair round. A local AUTOSAR experiment recorded interventions during stepwise generation. The results support coordinating generation constraints, domain checks, and task acceptance to construct models and guide bounded repair.

This position paper argues that LLM-based social simulations require clear boundaries to make meaningful contributions to social science. While Large Language Models (LLMs) offer promising capabilities for simulating human behavior, their tendency to produce homogeneous outputs, acting as an "average persona", fundamentally limits their ability to capture the behavioral diversity essential for complex social dynamics. We examine why heterogeneity matters for social simulations and how current LLMs fall short, analyzing the relationship between mean alignment and variance in LLM-generated behaviors. Through a systematic review of representative studies, we find that validation practices often fail to match the heterogeneity requirements of research questions: while most papers include ground truth comparisons, fewer than half explicitly assess behavioral variance, and most that do report lower variance than human populations. We propose that researchers should: (1) match validation depth to the heterogeneity demands of their research questions, (2) explicitly report variance alongside mean alignment, and (3) constrain claims to collective-level qualitative patterns when variance is insufficient. Rather than dismissing LLM-based simulation, we advocate for a boundary-aware approach that ensures these methods contribute genuine insights to social science.

As the complexity of integrated circuit designs continues to escalate, functional verification becomes increasingly challenging. Reference models, critical for accelerating the verification process, are themselves becoming more intricate and time-consuming to develop. Despite the promise shown by large language models (LLMs) in code programming, effectively generating complex reference models remains a significant hurdle. Therefore, we introduce ChatModel, an LLM-aided agile reference model generation and verification platform. ChatModel streamlines the transition from design specifications to fully functional reference models by integrating design standardization and hierarchical agile modeling. Employing a building-block generation strategy, it not only enhances the design capabilities of LLMs for reference models but also significantly boosts verification efficiency. We evaluated ChatModel on 300 designs of varying complexity, demonstrating substantial improvements in both efficiency and quality of reference model generation. ChatModel achieved a peak performance improvement of 58.99% compared to alternative methods, with notable enhancements in generation stability, and delivered a 9.18x increase in its capacity to produce reference model designs. Moreover, ChatModel accelerates the reference model design and validation cycles by an average of 7.11x over traditional manual approaches. These results highlight the potential of ChatModel to significantly advance the automation of reference model generation and validation.

Locomotion plays a crucial role in shaping the user experience within virtual reality environments. In particular, hands-free locomotion offers a valuable alternative by supporting accessibility and freeing users from reliance on handheld controllers. To this end, traditional speech-based methods often depend on rigid command sets, limiting the naturalness and flexibility of interaction. In this study, we propose a novel locomotion technique powered by large language models (LLMs), which allows users to navigate virtual environments using natural language with contextual awareness. We evaluate three locomotion methods: controller-based teleportation, voice-based steering, and our language model-driven approach. Our evaluation combines eye-tracking data analysis, including exploratory explainable machine learning analysis with SHAP, and standardized questionnaires (SUS, IPQ, CSQ-VR, NASA-TLX) to examine user experience through both objective gaze-based measures and subjective self-reports of usability, presence, cybersickness, and cognitive load. Our findings show no statistically significant differences in usability, presence, or cybersickness between LLM-driven locomotion and established methods such as teleportation, suggesting its potential as a viable, natural language-based, hands-free alternative. In addition, eye-tracking analysis revealed patterns suggesting tendency toward increased user attention and engagement in the LLM-driven condition. Complementary to these findings, exploratory SHAP analysis revealed that fixation, saccade, and pupil-related features vary across techniques, indicating distinct patterns of visual attention and cognitive processing. Overall, we state that our method can facilitate hands-free locomotion in virtual spaces, especially in supporting accessibility.

Large Language Models (LLMs) are increasingly employed for simulating human behaviors across diverse domains. However, our position is that current LLM-based human simulations remain insufficiently reliable, as evidenced by significant discrepancies between their outcomes and authentic human actions. Our investigation begins with a systematic review of LLM-based human simulations in social, economic, policy, and psychological contexts, identifying their common frameworks, recent advances, and persistent limitations. This review reveals that such discrepancies primarily stem from inherent limitations of LLMs and flaws in simulation design, both of which are examined in detail. Building on these insights, we propose a systematic solution framework that emphasizes enriching data foundations, advancing LLM capabilities, and ensuring robust simulation design to enhance reliability. Finally, we introduce a structured algorithm that operationalizes the proposed framework, aiming to guide credible and human-aligned LLM-based simulations. To facilitate further research, we provide a curated list of related literature and resources at https://github.com/Persdre/awesome-llm-human-simulation.

Large Language Models (LLMs) possess extensive foundational knowledge and moderate reasoning abilities, making them suitable for general task planning in open-world scenarios. However, it is challenging to ground a LLM-generated plan to be executable for the specified robot with certain restrictions. This paper introduces CLMASP, an approach that couples LLMs with Answer Set Programming (ASP) to overcome the limitations, where ASP is a non-monotonic logic programming formalism renowned for its capacity to represent and reason about a robot's action knowledge. CLMASP initiates with a LLM generating a basic skeleton plan, which is subsequently tailored to the specific scenario using a vector database. This plan is then refined by an ASP program with a robot's action knowledge, which integrates implementation details into the skeleton, grounding the LLM's abstract outputs in practical robot contexts. Our experiments conducted on the VirtualHome platform demonstrate CLMASP's efficacy. Compared to the baseline executable rate of under 2% with LLM approaches, CLMASP significantly improves this to over 90%.

Simulatability is an evaluation protocol for explanations that quantifies their usefulness by how well they help a user predict a task model's outputs. Since human evaluation is costly, automated simulatability replaces human explainees with LLM simulators, as proposed in ConSim (Poch'e et al., 2025) for large-scale experiments. We qualitatively replicate and extend ConSim's ranking of explanation methods across the tested datasets, explanation families, and simulator LLMs, and identify two limitations. First, when class names are meaningful, simulators can obtain high simulatability by solving the classification task directly, without relying on the explanations. Second, class anonymization can reward explanations for leaking the hidden label mapping, a limitation we expose with a new classes-as-concepts baseline. These results are consistent with a shortcut hypothesis: in the tested settings, simulator predictions mainly rely on task priors, while explanations produce small changes. We derive recommendations for more robust automated simulatability evaluations.