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Nov 11

Predictive Surprise as Self-Grounding Concept Bottleneck for Interpretable Time Series

Time-series classifiers deployed in risk-sensitive domains must be (1) accurate, (2) interpretable, and (3) able to abstain when evidence is weak. Existing methods do not deliver all 3 at once, and the obstacle is structural, rather than logistical. Meaningful temporal patterns cannot be defined without knowing segment boundaries, yet meaningful boundaries cannot be placed without knowing which patterns to expect. Existing approaches break this circularity by using fixed windows or expert-annotated vocabularies, thereby sacrificing at least one of the 3 properties. We introduce ConceptTime, which closes the loop through a single self-supervised signal. A frozen probabilistic forecaster predicts a distribution over the next observation at every timestep of the sequence. We call the mismatch between its prediction and the realized signal the predictive surprise. This signal both locates segment boundaries and characterizes each resulting segment through the forecaster. Segments are thus grounded by how they behaved relative to expectation, not by what they look like. These summaries cluster into a vocabulary of dynamical regimes that we call concepts. A lightweight head classifies from the concept sequence, and the distance to the nearest concept yields reliability by design. Across 17 public benchmarks, ConceptTime is competitive with state-of-the-art black-box accuracy, beats every interpretable baseline, and retains near-98% accuracy on Epilepsy with 1% of labels. It further remains competitive with softmax, prototype-distance, and SHAP/TimeX/TimeX++ on OOD detection and deletion faithfulness, without a single annotation, language model call, or domain expert. Code is available at: https://github.com/Sachithx/ConceptTime.git.

TrustSQL: Benchmarking Text-to-SQL Reliability with Penalty-Based Scoring

Text-to-SQL enables users to interact with databases using natural language, simplifying the retrieval and synthesis of information. Despite the remarkable success of large language models (LLMs) in translating natural language questions into SQL queries, widespread deployment remains limited due to two primary challenges. First, the effective use of text-to-SQL models depends on users' understanding of the model's capabilities-the scope of questions the model can correctly answer. Second, the absence of abstention mechanisms can lead to incorrect SQL generation going unnoticed, thereby undermining trust in the model's output. To enable wider deployment, it is crucial to address these challenges in model design and enhance model evaluation to build trust in the model's output. To this end, we introduce TrustSQL, a novel comprehensive benchmark designed to evaluate text-to-SQL reliability-defined as a model's ability to correctly handle any type of input question by generating correct SQL queries for feasible questions and abstaining from generating infeasible ones (e.g., due to schema incompatibility or functionalities beyond SQL). We evaluate existing methods using a novel penalty-based scoring metric with two modeling approaches: (1) pipeline-based methods combining SQL generators with infeasible question detectors and SQL error detectors for abstention; and (2) unified methods using a single model for the entire task. Our experimental results reveal that achieving high scores under severe penalties requires significant effort and provide a new perspective on developing text-to-SQL models for safer deployment. TrustSQL is available at https://github.com/glee4810/TrustSQL.

  • 4 authors
·
Mar 23, 2024

GateTruth: Auditing the Rigor of RTL Design Benchmarks via Mutation Testing

Benchmarks for evaluating large language models on register-transfer-level (RTL) hardware design have proliferated rapidly, yet none reports having applied mutation testing, an established hardware-verification technique for quantifying testbench quality, to ask whether its own testbenches are trustworthy. A testbench that never fails is not evidence of a correct design; it may simply never stimulate the logic that is actually broken. We introduce GateTruth, a mutation-testing engine and methodology for auditing RTL benchmark testbench rigor: inject a deterministic, seeded set of semantic mutants into a reference design and measure what fraction the testbench catches. We validate the methodology against our own 68-task, dual-track reference suite -- 60 specification-to-RTL generation tasks and 8 agentic-repair tasks, scored through a pinned, deterministic synthesis-to-timing flow with correctness enforced as a strict gate -- certifying that 46 of 60 Track A testbenches kill at least 95% of injected mutants under sequential, reproducible execution; we disclose why the other 14 do not, including a Goodhart effect on testbenches revised to pass this gate. We then point the same engine, unmodified, at RTLLM v2.0, a widely adopted external benchmark: of 46 auditable designs, 72% fall below the 95% floor our own suite is held to, and three score 0% outright. A comparable audit of NVIDIA's CVDP benchmark is structurally impossible: its public release withholds reference solutions, removing the golden RTL mutation testing requires. Auditing our own instrument also surfaced a second finding: an initially uniform 4096-token output cap silently truncated three of seven evaluated models, and re-running at 16,384 tokens moved one model from fifth place to first. We argue mutation-kill certification should become a standard reporting requirement for RTL-generation benchmarks generally.

  • 1 authors
·
Aug 11

Optimization by Directional Attacks: Solving Problems with Neural Network Surrogates

This paper tackles optimization problems whose objective and constraints involve a trained Neural Network (NN), where the goal is to maximize f(Phi(x)) subject to c(Phi(x)) leq 0, with f smooth, c general and non-stringent, and Phi an already trained and possibly nonwhite-box NN. We address two challenges regarding this problem: identifying ascent directions for local search, and ensuring reliable convergence towards relevant local solutions. To this end, we re-purpose the notion of directional NN attacks as efficient optimization subroutines, since directional NN attacks use the neural structure of Phi to compute perturbations of x that steer Phi(x) in prescribed directions. Precisely, we develop an attack operator that computes attacks of Phi at any x along the direction nabla f(Phi(x)). Then, we propose a hybrid algorithm combining the attack operator with derivative-free optimization (DFO) techniques, designed for numerical reliability by remaining oblivious to the structure of the problem. We consider the cDSM algorithm, which offers asymptotic guarantees to converge to a local solution under mild assumptions on the problem. The resulting method alternates between attack-based steps for heuristic yet fast local intensification and cDSM steps for certified convergence and numerical reliability. Experiments on three problems show that this hybrid approach consistently outperforms standard DFO baselines.

  • 2 authors
·
Oct 1, 2025

The STAR-XAI Protocol: A Framework for Inducing and Verifying Agency, Reasoning, and Reliability in AI Agents

The "black box" nature of Large Reasoning Models (LRMs) presents critical limitations in reliability and transparency, fueling the debate around the "illusion of thinking" and the challenge of state hallucinations in agentic systems. In response, we introduce The STAR-XAI Protocol (Socratic, Transparent, Agentic, Reasoning - for eXplainable Artificial Intelligence), a novel operational methodology for training and operating verifiably reliable AI agents. Our method reframes the human-AI interaction as a structured Socratic dialogue governed by an explicit, evolving symbolic rulebook (the Consciousness Transfer Package - CTP) and a suite of integrity protocols, including a state-locking Checksum that eradicates internal state corruption. Through an exhaustive case study in the complex strategic game "Caps i Caps," we demonstrate that this "Clear Box" framework transforms an opaque LRM into a disciplined strategist. The agent not only exhibits the emergence of complex tactics, such as long-term planning, but also achieves ante-hoc transparency by justifying its intentions before acting. Crucially, it demonstrates Second-Order Agency by identifying and correcting flaws in its own supervisor-approved plans, leading to empirically-proven, 100% reliable state tracking and achieving "zero hallucinations by design." The STAR-XAI Protocol thus offers a practical pathway toward building AI agents that are not just high-performing but intrinsically auditable, trustworthy, and reliable.

  • 2 authors
·
Sep 25, 2025

Go Beyond Black-box Policies: Rethinking the Design of Learning Agent for Interpretable and Verifiable HVAC Control

Recent research has shown the potential of Model-based Reinforcement Learning (MBRL) to enhance energy efficiency of Heating, Ventilation, and Air Conditioning (HVAC) systems. However, existing methods rely on black-box thermal dynamics models and stochastic optimizers, lacking reliability guarantees and posing risks to occupant health. In this work, we overcome the reliability bottleneck by redesigning HVAC controllers using decision trees extracted from existing thermal dynamics models and historical data. Our decision tree-based policies are deterministic, verifiable, interpretable, and more energy-efficient than current MBRL methods. First, we introduce a novel verification criterion for RL agents in HVAC control based on domain knowledge. Second, we develop a policy extraction procedure that produces a verifiable decision tree policy. We found that the high dimensionality of the thermal dynamics model input hinders the efficiency of policy extraction. To tackle the dimensionality challenge, we leverage importance sampling conditioned on historical data distributions, significantly improving policy extraction efficiency. Lastly, we present an offline verification algorithm that guarantees the reliability of a control policy. Extensive experiments show that our method saves 68.4% more energy and increases human comfort gain by 14.8% compared to the state-of-the-art method, in addition to an 1127x reduction in computation overhead. Our code and data are available at https://github.com/ryeii/Veri_HVAC

  • 3 authors
·
Feb 28, 2024

Trial by Trace: Benchmarking AI Agent Harnesses for Reliability and Failure Attribution

LLM agents are increasingly used to solve real-world problems, and their effectiveness depends on both the underlying models and the harnesses that support their operation. However, most existing benchmarks focus on model capabilities and overall agent performance, with limited attention to the evaluation of agent harnesses. To address this gap, we introduce TraceTrial-Bench, which organizes harness reliability into seven components covering context, execution, governance, lifecycle, observability, tools, and verification. We construct 95 expert-level, mechanism-oriented tasks with executable or state-based ground truth to support semantically equivalent comparisons while preserving the native behavior of each harness. We design a Trajectory Tracing (TT) module to capture agent execution traces and introduce a two-layer evaluation framework that separately assesses agent performance and harness reliability. In addition, we design a Multi-source Evidence Acquisition (MEA) module to provide evidence from the agent context, harness, and execution environment for LLM-based evaluation, and develop a Failure Attribution (FA) module that uses explicit mechanism chains to support attribution at the run level. Across 4 harnesses, 9 models, and 95 tasks, our evaluation of 3,420 runs yields macro-averaged harness scores ranging from 59.8% to 72.0%, while 31.1% of runs achieve task success despite failing at least one harness criterion. TraceTrial-Bench provides an auditable and reproducible foundation for comparing agent harnesses, diagnosing their failures, and studying how harness design interacts with model behavior.

TraceLite-AI TraceLite AI
·
Oct 22 6

Rethinking the Reliability of Multi-agent System: A Perspective from Byzantine Fault Tolerance

Ensuring the reliability of agent architectures and effectively identifying problematic agents when failures occur are crucial challenges in multi-agent systems (MAS). Advances in large language models (LLMs) have established LLM-based agents as a major branch of MAS, enabling major breakthroughs in complex problem solving and world modeling. However, the reliability implications of this shift remain largely unexplored. i.e., whether substituting traditional agents with LLM-based agents can effectively enhance the reliability of MAS. In this work, we investigate and quantify the reliability of LLM-based agents from the perspective of Byzantine fault tolerance. We observe that LLM-based agents demonstrate stronger skepticism when processing erroneous message flows, a characteristic that enables them to outperform traditional agents across different topological structures. Motivated by the results of the pilot experiment, we design CP-WBFT, a confidence probe-based weighted Byzantine Fault Tolerant consensus mechanism to enhance the stability of MAS with different topologies. It capitalizes on the intrinsic reflective and discriminative capabilities of LLMs by employing a probe-based, weighted information flow transmission method to improve the reliability of LLM-based agents. Extensive experiments demonstrate that CP-WBFT achieves superior performance across diverse network topologies under extreme Byzantine conditions (85.7\% fault rate). Notably, our approach surpasses traditional methods by attaining remarkable accuracy on various topologies and maintaining strong reliability in both mathematical reasoning and safety assessment tasks.

  • 6 authors
·
Dec 15, 2025

Reliability Assessment and Safety Arguments for Machine Learning Components in System Assurance

The increasing use of Machine Learning (ML) components embedded in autonomous systems -- so-called Learning-Enabled Systems (LESs) -- has resulted in the pressing need to assure their functional safety. As for traditional functional safety, the emerging consensus within both, industry and academia, is to use assurance cases for this purpose. Typically assurance cases support claims of reliability in support of safety, and can be viewed as a structured way of organising arguments and evidence generated from safety analysis and reliability modelling activities. While such assurance activities are traditionally guided by consensus-based standards developed from vast engineering experience, LESs pose new challenges in safety-critical application due to the characteristics and design of ML models. In this article, we first present an overall assurance framework for LESs with an emphasis on quantitative aspects, e.g., breaking down system-level safety targets to component-level requirements and supporting claims stated in reliability metrics. We then introduce a novel model-agnostic Reliability Assessment Model (RAM) for ML classifiers that utilises the operational profile and robustness verification evidence. We discuss the model assumptions and the inherent challenges of assessing ML reliability uncovered by our RAM and propose solutions to practical use. Probabilistic safety argument templates at the lower ML component-level are also developed based on the RAM. Finally, to evaluate and demonstrate our methods, we not only conduct experiments on synthetic/benchmark datasets but also scope our methods with case studies on simulated Autonomous Underwater Vehicles and physical Unmanned Ground Vehicles.

  • 9 authors
·
Nov 30, 2021

One Success Isn't Reliability: Thinkingbox, a Sandbox and Benchmark for Agents in Stateful Business Workflows

Recent agent benchmarks increasingly ground evaluation in executable environments, from code repair to web navigation, app APIs, and function calling. Yet completing consequential work beyond code requires more than producing a plausible response or valid tool call: agents must gather missing information over multiple turns, follow domain policies, coordinate dependent tools, and realize the correct persistent state transition without collateral effects. In this paper, we introduce Thinkingbox, a sandbox for tool-agent-user interaction that provides isolated MCP-compatible tool sessions, complete execution traces, and outcome evaluation over terminal backend state. Built on this sandbox, Thinkingbox-bench contains 507 policy-conditioned workflows across numerous scenarios, including retail, hospitality, auto insurance, neobank internal IT, and consulting IT/HR support. Each attempt is evaluated by task-specific executable checks that accept valid trajectories while rejecting wrong, missing, or extra effects; designated tasks additionally check required properties of the final response. Across proprietary and open-weight models, the strongest achieves 65.36% pass@1, but only 25.25% pass^20. Moreover, many failed trials show clean termination and valid state-changing actions, showing that response or tool-call-level signals are not clear proxies for end-to-end task completion. Thinkingbox-bench reveals a large gap between occasionally finding a successful trajectory and reliably completing stateful business tasks. We release both Thinkingbox and Thinkingbox-Bench: https://github.com/microsoft/thinkingbox

microsoft Microsoft
·
Aug 19 2

Multi-Turn On-Policy Distillation with Prefix Replay

We study on-policy distillation (OPD) for agentic tasks, where an LLM agent interacts with an environment over multiple turns and a student imitates a teacher over these multi-turn interaction histories. Fully online OPD is costly because each update requires fresh student rollouts through the environment and teacher queries at visited histories. We propose Replayed-Prefix On-Policy Distillation (ReOPD), an off-environment alternative that reuses pre-collected teacher trajectories as replayed prefixes: the student acts at selected steps, while the teacher provides dense per-step supervision without executing new environment interactions. We show that multi-turn OPD introduces a prefix trap: making histories more student-on-policy improves relevance to the student, but can query the teacher on histories where its target is unreliable. This creates a two-sided distribution shift between student occupancy and teacher reliability. ReOPD addresses this by treating multi-turn OPD as a reliability-aware prefix distribution design and implements it with a simple step-decaying sampling schedule that emphasizes early, lower-shift prefixes. Across mathematical reasoning with Python and search environments over multiple teacher and student model scales, ReOPD preserves or improves OPD-level accuracy, uses zero tool calls during student training, and is at least 4times faster per rollout than OPD. ReOPD therefore turns expensive agent-environment interaction into a reusable offline resource, enabling scalable distillation across tools, tasks, and environments.

AI Agent Systems: Architectures, Applications, and Evaluation

AI agents -- systems that combine foundation models with reasoning, planning, memory, and tool use -- are rapidly becoming a practical interface between natural-language intent and real-world computation. This survey synthesizes the emerging landscape of AI agent architectures across: (i) deliberation and reasoning (e.g., chain-of-thought-style decomposition, self-reflection and verification, and constraint-aware decision making), (ii) planning and control (from reactive policies to hierarchical and multi-step planners), and (iii) tool calling and environment interaction (retrieval, code execution, APIs, and multimodal perception). We organize prior work into a unified taxonomy spanning agent components (policy/LLM core, memory, world models, planners, tool routers, and critics), orchestration patterns (single-agent vs.\ multi-agent; centralized vs.\ decentralized coordination), and deployment settings (offline analysis vs.\ online interactive assistance; safety-critical vs.\ open-ended tasks). We discuss key design trade-offs -- latency vs.\ accuracy, autonomy vs.\ controllability, and capability vs.\ reliability -- and highlight how evaluation is complicated by non-determinism, long-horizon credit assignment, tool and environment variability, and hidden costs such as retries and context growth. Finally, we summarize measurement and benchmarking practices (task suites, human preference and utility metrics, success under constraints, robustness and security) and identify open challenges including verification and guardrails for tool actions, scalable memory and context management, interpretability of agent decisions, and reproducible evaluation under realistic workloads.

  • 1 authors
·
Jan 4

I'm Spartacus, No, I'm Spartacus: Measuring and Understanding LLM Identity Confusion

Large Language Models (LLMs) excel in diverse tasks such as text generation, data analysis, and software development, making them indispensable across domains like education, business, and creative industries. However, the rapid proliferation of LLMs (with over 560 companies developing or deploying them as of 2024) has raised concerns about their originality and trustworthiness. A notable issue, termed identity confusion, has emerged, where LLMs misrepresent their origins or identities. This study systematically examines identity confusion through three research questions: (1) How prevalent is identity confusion among LLMs? (2) Does it arise from model reuse, plagiarism, or hallucination? (3) What are the security and trust-related impacts of identity confusion? To address these, we developed an automated tool combining documentation analysis, self-identity recognition testing, and output similarity comparisons--established methods for LLM fingerprinting--and conducted a structured survey via Credamo to assess its impact on user trust. Our analysis of 27 LLMs revealed that 25.93% exhibit identity confusion. Output similarity analysis confirmed that these issues stem from hallucinations rather than replication or reuse. Survey results further highlighted that identity confusion significantly erodes trust, particularly in critical tasks like education and professional use, with declines exceeding those caused by logical errors or inconsistencies. Users attributed these failures to design flaws, incorrect training data, and perceived plagiarism, underscoring the systemic risks posed by identity confusion to LLM reliability and trustworthiness.

  • 8 authors
·
Nov 15, 2024

Computer-Use Agents as Judges for Generative User Interface

Computer-Use Agents (CUA) are becoming increasingly capable of autonomously operating digital environments through Graphical User Interfaces (GUI). Yet, most GUI remain designed primarily for humans--prioritizing aesthetics and usability--forcing agents to adopt human-oriented behaviors that are unnecessary for efficient task execution. At the same time, rapid advances in coding-oriented language models (Coder) have transformed automatic GUI design. This raises a fundamental question: Can CUA as judges to assist Coder for automatic GUI design? To investigate, we introduce AUI-Gym, a benchmark for Automatic GUI development spanning 52 applications across diverse domains. Using language models, we synthesize 1560 tasks that simulate real-world scenarios. To ensure task reliability, we further develop a verifier that programmatically checks whether each task is executable within its environment. Building on this, we propose a Coder-CUA in Collaboration framework: the Coder acts as Designer, generating and revising websites, while the CUA serves as Judge, evaluating functionality and refining designs. Success is measured not by visual appearance, but by task solvability and CUA navigation success rate. To turn CUA feedback into usable guidance, we design a CUA Dashboard that compresses multi-step navigation histories into concise visual summaries, offering interpretable guidance for iterative redesign. By positioning agents as both designers and judges, our framework shifts interface design toward agent-native efficiency and reliability. Our work takes a step toward shifting agents from passive use toward active participation in digital environments. Our code and dataset are available at https://github.com/showlab/AUI.

showlab Show Lab
·
Nov 19, 2025 2

Code Soliloquies for Accurate Calculations in Large Language Models

High-quality conversational datasets are integral to the successful development of Intelligent Tutoring Systems (ITS) that employ a Large Language Model (LLM) backend. These datasets, when used to fine-tune the LLM backend, significantly enhance the quality of interactions between students and ITS. A common strategy for developing these datasets involves generating synthetic student-teacher dialogues using advanced GPT-4 models. However, challenges arise when these dialogues demand complex calculations, common in subjects like physics. Despite its advanced capabilities, GPT-4's performance falls short in reliably handling even simple multiplication tasks, marking a significant limitation in its utility for these subjects. To address these challenges, this paper introduces an innovative stateful prompt design. Our approach generates a mock conversation between a student and a tutorbot, both roles simulated by GPT-4. Each student response triggers a soliloquy (an inner monologue) in the GPT-tutorbot, which assesses whether its response would necessitate calculations. If so, it proceeds to script the required code in Python and then uses the resulting output to construct its response to the student. Our approach notably enhances the quality of synthetic conversation datasets, especially for subjects that are calculation-intensive. Our findings show that our Higgs model -- a LLaMA finetuned with datasets generated through our novel stateful prompt design -- proficiently utilizes Python for computations. Consequently, finetuning with our datasets enriched with code soliloquies enhances not just the accuracy but also the computational reliability of Higgs' responses.

  • 6 authors
·
Sep 21, 2023

Agent Evaluation Reliability: More Tasks Won't (Always) Fix An Agent Leaderboard

Agent evaluations are increasingly used to compare LLMs and inform deployment decisions, yet ranks can reflect not only the model but also the effects of the evaluation conditions such as the scaffolds or tasks. This makes reliability claim-dependent: an evaluation that reliably ranks deployed systems may not reliably rank underlying models. We ask which conclusions current agent evaluations reliably support and what additional evaluation would improve them. We develop a Bayesian variance-decomposition framework for sparse, imbalanced agent leaderboards and apply it to 22 benchmarks from the Holistic Agent Leaderboard and Harbor Index. The framework separates signal, performance differences relevant to the intended claim, from noise, irrelevant variation that can still change rankings. We find: (1) Reliability depends on the measurement goal. Fixed model-scaffold systems are ranked reliably (0.935-0.994), while underlying-model reliability is substantially lower (0.148-0.841). (2) Scaffold choice can change conclusions. Inter-scaffold reliability measures whether scaffolds preserve model rankings, showing that scaffold effects vary substantially across evaluations. (3) More tasks cannot resolve all uncertainty. Even infinitely many similarly constructed tasks improve model-ranking reliability of a benchmark by at most 0.097 when uncertainty is dominated by limited scaffold coverage. (4) Pooling diverse benchmarks can improve cross-task rankings at lower cost. For rankings across diverse agentic tasks, pooling benchmarks raises projected reliability from 0.44 to 0.75 at the same task budget and can reduce projected cost by up to 83\%. Evaluation design should follow the intended claim: identify what a score or ranking should mean, diagnose what limits its reliability, and spend evaluation budget on the sources of uncertainty that matter.

  • 5 authors
·
Sep 29

Agent Mesh: Reliability Primitives for Non-Idempotent Agent Delegation - Identity Adequacy and Evidence Adequacy

Autonomous agents increasingly perform bounded software tasks under an orchestrator that retries, resumes, and budgets them. The machinery such orchestrators reach for is the service mesh's: retry, timeout, and error-rate circuit breaking. We report a failure study of a production agentic software-delivery platform over 147 numbered incidents spanning 81 runs, each with a measured cost and, in most cases, a mutation proof reproducing the failure. All three assumptions those primitives rest on are violated in practice, and we quantify the consequences: a loop of fifty-four consecutive successful tool calls no error-rate breaker could see; a progress signal constant by construction, guaranteeing a false trip on the third repair round and driving one run from six of six components to three; twenty-one events accumulated across six invocations of one delegation, making a correct, idempotent component unwinnable; a misrouted failure that woke five components for a two-component fault, leaving three bystanders regressing working code; and twelve incidents in which the enforcement layer blocked correct work, the most expensive costing 107 agent turns and zero accepted writes. We find one cross-cutting cause and its dual. Identity adequacy: in five separate subsystems an identity that failed to discriminate produced a confident wrong answer, and two of them derived the corrective rule independently. Evidence adequacy: a reliability decision may be taken only on evidence capable of moving, attributable to what it measures, and deterministic under identical conditions. From the findings we derive seven reliability primitives whose enforcement unit is the delegation rather than the message, and specify the controlled evaluation the study motivates but does not constitute.

  • 3 authors
·
Aug 25

Counterfactuals for Design: A Model-Agnostic Method For Design Recommendations

We introduce Multi-Objective Counterfactuals for Design (MCD), a novel method for counterfactual optimization in design problems. Counterfactuals are hypothetical situations that can lead to a different decision or choice. In this paper, the authors frame the counterfactual search problem as a design recommendation tool that can help identify modifications to a design, leading to better functional performance. MCD improves upon existing counterfactual search methods by supporting multi-objective queries, which are crucial in design problems, and by decoupling the counterfactual search and sampling processes, thus enhancing efficiency and facilitating objective tradeoff visualization. The paper demonstrates MCD's core functionality using a two-dimensional test case, followed by three case studies of bicycle design that showcase MCD's effectiveness in real-world design problems. In the first case study, MCD excels at recommending modifications to query designs that can significantly enhance functional performance, such as weight savings and improvements to the structural safety factor. The second case study demonstrates that MCD can work with a pre-trained language model to suggest design changes based on a subjective text prompt effectively. Lastly, the authors task MCD with increasing a query design's similarity to a target image and text prompt while simultaneously reducing weight and improving structural performance, demonstrating MCD's performance on a complex multimodal query. Overall, MCD has the potential to provide valuable recommendations for practitioners and design automation researchers looking for answers to their ``What if'' questions by exploring hypothetical design modifications and their impact on multiple design objectives. The code, test problems, and datasets used in the paper are available to the public at decode.mit.edu/projects/counterfactuals/.

  • 3 authors
·
May 18, 2023

VecCity: A Taxonomy-guided Library for Map Entity Representation Learning

Electronic maps consist of diverse entities, such as points of interest (POIs), road networks, and land parcels, playing a vital role in applications like ITS and LBS. Map entity representation learning (MapRL) generates versatile and reusable data representations, providing essential tools for efficiently managing and utilizing map entity data. Despite the progress in MapRL, two key challenges constrain further development. First, existing research is fragmented, with models classified by the type of map entity, limiting the reusability of techniques across different tasks. Second, the lack of unified benchmarks makes systematic evaluation and comparison of models difficult. To address these challenges, we propose a novel taxonomy for MapRL that organizes models based on functional module-such as encoders, pre-training tasks, and downstream tasks-rather than by entity type. Building on this taxonomy, we present a taxonomy-driven library, VecCity, which offers easy-to-use interfaces for encoding, pre-training, fine-tuning, and evaluation. The library integrates datasets from nine cities and reproduces 21 mainstream MapRL models, establishing the first standardized benchmarks for the field. VecCity also allows users to modify and extend models through modular components, facilitating seamless experimentation. Our comprehensive experiments cover multiple types of map entities and evaluate 21 VecCity pre-built models across various downstream tasks. Experimental results demonstrate the effectiveness of VecCity in streamlining model development and provide insights into the impact of various components on performance. By promoting modular design and reusability, VecCity offers a unified framework to advance research and innovation in MapRL. The code is available at https://github.com/Bigscity-VecCity/VecCity.

  • 4 authors
·
Oct 31, 2024

A Methodology for Evaluating RAG Systems: A Case Study On Configuration Dependency Validation

Retrieval-augmented generation (RAG) is an umbrella of different components, design decisions, and domain-specific adaptations to enhance the capabilities of large language models and counter their limitations regarding hallucination and outdated and missing knowledge. Since it is unclear which design decisions lead to a satisfactory performance, developing RAG systems is often experimental and needs to follow a systematic and sound methodology to gain sound and reliable results. However, there is currently no generally accepted methodology for RAG evaluation despite a growing interest in this technology. In this paper, we propose a first blueprint of a methodology for a sound and reliable evaluation of RAG systems and demonstrate its applicability on a real-world software engineering research task: the validation of configuration dependencies across software technologies. In summary, we make two novel contributions: (i) A novel, reusable methodological design for evaluating RAG systems, including a demonstration that represents a guideline, and (ii) a RAG system, which has been developed following this methodology, that achieves the highest accuracy in the field of dependency validation. For the blueprint's demonstration, the key insights are the crucial role of choosing appropriate baselines and metrics, the necessity for systematic RAG refinements derived from qualitative failure analysis, as well as the reporting practices of key design decision to foster replication and evaluation.

  • 4 authors
·
Oct 11, 2024

Verified LLM-Driven Synthesis for Concept Design

Concept Design structures software systems around concepts: user-facing, self-contained units of functionality with a focused purpose. Concepts are composed into applications using synchronization rules called reactions, which specify how actions in one concept trigger actions in others. This paper first gives a formal semantics for concepts and reactions, enabling automatic verification of safety invariants in applications developed with this methodology. It then presents a CEGIS-style, LLM-driven synthesis procedure for generating reaction designs that satisfy such invariants. Because many different designs can satisfy the same invariant, we study two ways of steering synthesis toward the user's intended design: natural-language prompts and positive/negative scenarios. We also propose an LLM-driven scenario elicitation technique to support early design exploration. In an evaluation on three applications and twelve design variants using one LLM configuration, invariant-only synthesis reached verified designs quickly but often produced inconsistent designs across runs, some of which were implausible, showing that invariants alone underconstrain the design task. Scenario-guided synthesis recovered intended designs more consistently than natural-language prompting, although minimal scenarios can lead to overfitting. LLM-driven scenario elicitation, where the user classifies proposed scenarios rather than authoring them from scratch, recovered the intended designs in most variants when enough scenarios were elicited, but missed behaviors and non-determinism prevented reliable coverage in all cases.

  • 1 authors
·
Jul 16

RealCADBench: Benchmarking Parametric CAD Modeling from Industrial Design Intents

Parametric computer-aided design (CAD) modeling is difficult to evaluate with a single metric. Existing CAD benchmarks often emphasize synthetic or CAD-native settings, limited input modalities, or executability and IoUs alone. We introduce RealCADBench, a benchmark for intent-to-program CAD modeling from real industrial design intents. It contains 12,632 tasks from 19 factory-automation categories and spans text descriptions, 2D engineering drawings, real product pictures, and rendered images for both Part and Assembly modeling. We report results on a 1,770-task evaluation slice: 1,745 Part tasks across four input regimes and RCB-Assm25, a 25-task assembly study used in every reported assembly comparison. Each method generates FreeCAD API Python, which a shared runtime executes to export the 3D model. We evaluate the exported model using executability, Solid IoU, Surface IoU, and a rubric-based visual-semantic identity Judge. Among the nine standalone frontier large models evaluated, no model leads all four metrics. Across six frontier-scale large models, executability ranges from 0.565 to 0.812, Solid IoU from 0.2841 to 0.5379, and Surface IoU from 0.112 to 0.217 across the four Part regimes. The highest regime-balanced composite comes from a different model than the leaders on the four component metrics. On RCB-Assm25, Codex with GPT-5.5 improves executability and both IoU metrics over standalone GPT-5.5, but lowers the Judge score by 6.98 percentage points, leaving GPT-5.5 as the Judge leader. We also observe recurring failure modes, most notably missing fine structures, loss of part identity, and incorrect assembly placement. These results show that execution alone is insufficient to characterize realistic CAD modeling and that frontier models and agents differ substantially across executability, IoUs, and visual-semantic identity.

  • 11 authors
·
Sep 3

BenchCAD: A Comprehensive, Industry-Standard Benchmark for Programmatic CAD

Industrial Computer-Aided Design (CAD) code generation requires models to produce executable parametric programs from visual or textual inputs. Beyond recognizing the outer shape of a part, this task involves understanding its 3D structure, inferring engineering parameters, and choosing CAD operations that reflect how the part would be designed and manufactured. Despite the promise of Multimodal large language models (MLLMs) for this task, they are rarely evaluated on whether these capabilities jointly hold in realistic industrial CAD settings. We present BenchCAD, a unified benchmark for industrial CAD reasoning. BenchCAD contains 17,900 execution-verified CadQuery programs across 106 industrial part families, including bevel gears, compression springs, twist drills, and other reusable engineering designs. It evaluates models through visual question answering, code question answering, image-to-code generation, and instruction-guided code editing, enabling fine-grained analysis across perception, parametric abstraction, and executable program synthesis. Across 10+ frontier models, BenchCAD shows that current systems often recover coarse outer geometry but fail to produce faithful parametric CAD programs. Common failures include missing fine 3D structure, misinterpreting industrial design parameters, and replacing essential operations such as sweeps, lofts, and twist-extrudes with simpler sketch-and-extrude patterns. Fine-tuning and reinforcement learning improve in-distribution performance, but generalization to unseen part families remains limited. These results position BenchCAD as a benchmark for measuring and improving the industrial readiness of multimodal CAD automation.

  • 7 authors
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May 11

A Data-Driven Framework for Designing Microstructure of Multifunctional Composites with Deep-Learned Diffusion-Based Generative Models

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of materials using deep-learned generative and surrogate models. The long-standing issue of microstructure reconstruction is well addressed in this study using a new class of state-of-the-art generative model, the diffusion-based generative model (DGM). Moreover, the conditional formulation of DGM for guidance to the embedded desired material properties with a transformer-based attention mechanism enables the inverse design of multifunctional composites. A convolutional neural network (CNN)-based surrogate model is utilized to analyze the nonlinear material behavior to facilitate the prediction of material properties for building microstructure-property linkages. Combined, these generative and surrogate models enable large data processing and database construction that is often not affordable with resource-intensive finite element method (FEM)-based direct numerical simulation (DNS) and iterative reconstruction methods. An example case is presented to demonstrate the effectiveness of the proposed approach, which is designing mechanoluminescence (ML) particulate composites made of europium and dysprosium ions. The results show that the inversely-designed multiple ML microstructure candidates with the proposed generative and surrogate models meet the multiple design requirements (e.g., volume fraction, elastic constant, and light sensitivity). The evaluation of the generated samples' quality and the surrogate models' performance using appropriate metrics are also included. This assessment demonstrates that the proposed integrated methodology offers an end-to-end solution for practical material design applications.

  • 3 authors
·
Jul 14, 2023

Failure Modes in LLM Systems: A System-Level Taxonomy for Reliable AI Applications

Large language models (LLMs) are being rapidly integrated into decision-support tools, automation workflows, and AI-enabled software systems. However, their behavior in production environments remains poorly understood, and their failure patterns differ fundamentally from those of traditional machine learning models. This paper presents a system-level taxonomy of fifteen hidden failure modes that arise in real-world LLM applications, including multi-step reasoning drift, latent inconsistency, context-boundary degradation, incorrect tool invocation, version drift, and cost-driven performance collapse. Using this taxonomy, we analyze the growing gap in evaluation and monitoring practices: existing benchmarks measure knowledge or reasoning but provide little insight into stability, reproducibility, drift, or workflow integration. We further examine the production challenges associated with deploying LLMs - including observability limitations, cost constraints, and update-induced regressions - and outline high-level design principles for building reliable, maintainable, and cost-aware LLM systems. Finally, we outline high-level design principles for building reliable, maintainable, and cost-aware LLM-based systems. By framing LLM reliability as a system-engineering problem rather than a purely model-centric one, this work provides an analytical foundation for future research on evaluation methodology, AI system robustness, and dependable LLM deployment.

  • 1 authors
·
Nov 25, 2025

Toward Engineering AGI: Benchmarking the Engineering Design Capabilities of LLMs

Modern engineering, spanning electrical, mechanical, aerospace, civil, and computer disciplines, stands as a cornerstone of human civilization and the foundation of our society. However, engineering design poses a fundamentally different challenge for large language models (LLMs) compared with traditional textbook-style problem solving or factual question answering. Although existing benchmarks have driven progress in areas such as language understanding, code synthesis, and scientific problem solving, real-world engineering design demands the synthesis of domain knowledge, navigation of complex trade-offs, and management of the tedious processes that consume much of practicing engineers' time. Despite these shared challenges across engineering disciplines, no benchmark currently captures the unique demands of engineering design work. In this work, we introduce EngDesign, an Engineering Design benchmark that evaluates LLMs' abilities to perform practical design tasks across nine engineering domains. Unlike existing benchmarks that focus on factual recall or question answering, EngDesign uniquely emphasizes LLMs' ability to synthesize domain knowledge, reason under constraints, and generate functional, objective-oriented engineering designs. Each task in EngDesign represents a real-world engineering design problem, accompanied by a detailed task description specifying design goals, constraints, and performance requirements. EngDesign pioneers a simulation-based evaluation paradigm that moves beyond textbook knowledge to assess genuine engineering design capabilities and shifts evaluation from static answer checking to dynamic, simulation-driven functional verification, marking a crucial step toward realizing the vision of engineering Artificial General Intelligence (AGI).

  • 65 authors
·
Jul 1, 2025

Verifiable Reasoning for LLM-based Generative Recommendation

Reasoning in Large Language Models (LLMs) has recently shown strong potential in enhancing generative recommendation through deep understanding of complex user preference. Existing approaches follow a {reason-then-recommend} paradigm, where LLMs perform step-by-step reasoning before item generation. However, this paradigm inevitably suffers from reasoning degradation (i.e., homogeneous or error-accumulated reasoning) due to the lack of intermediate verification, thus undermining the recommendation. To bridge this gap, we propose a novel \textit{reason-verify-recommend} paradigm, which interleaves reasoning with verification to provide reliable feedback, guiding the reasoning process toward more faithful user preference understanding. To enable effective verification, we establish two key principles for verifier design: 1) reliability ensures accurate evaluation of reasoning correctness and informative guidance generation; and 2) multi-dimensionality emphasizes comprehensive verification across multi-dimensional user preferences. Accordingly, we propose an effective implementation called VRec. It employs a mixture of verifiers to ensure multi-dimensionality, while leveraging a proxy prediction objective to pursue reliability. Experiments on four real-world datasets demonstrate that VRec substantially enhances recommendation effectiveness and scalability without compromising efficiency. The codes can be found at https://github.com/Linxyhaha/Verifiable-Rec.

  • 11 authors
·
Mar 7

Operating-Layer Controls for Onchain Language-Model Agents Under Real Capital

We study reliability in autonomous language-model agents that translate user mandates into validated tool actions under real capital. The setting is DX Terminal Pro, a 21-day deployment in which 3,505 user-funded agents traded real ETH in a bounded onchain market. Users configured vaults through structured controls and natural-language strategies, but only agents could choose normal buy/sell trades. The system produced 7.5M agent invocations, roughly 300K onchain actions, about $20M in volume, more than 5,000 ETH deployed, roughly 70B inference tokens, and 99.9% settlement success for policy-valid submitted transactions. Long-running agents accumulated thousands of sequential decisions, including 6,000+ prompt-state-action cycles for continuously active agents, yielding a large-scale trace from user mandate to rendered prompt, reasoning, validation, portfolio state, and settlement. Reliability did not come from the base model alone; it emerged from the operating layer around the model: prompt compilation, typed controls, policy validation, execution guards, memory design, and trace-level observability. Pre-launch testing exposed failures that text-only benchmarks rarely measure, including fabricated trading rules, fee paralysis, numeric anchoring, cadence trading, and misread tokenomics. Targeted harness changes reduced fabricated sell rules from 57% to 3%, reduced fee-led observations from 32.5% to below 10%, and increased capital deployment from 42.9% to 78.0% in an affected test population. We show that capital-managing agents should be evaluated across the full path from user mandate to prompt, validated action, and settlement.

DXRG DXRG AI Inc
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Apr 27 2

MUSE: Benchmarking Manufacturable, Functional, and Assemblable Text-to-CAD Generation

Large language models (LLMs) have recently advanced text-driven 3D generation, yet Text-to-CAD remains far from supporting industrial product design. Existing benchmarks focus primarily on generating single-part CAD models and evaluate them using geometric similarity metrics that fail to capture functionality, manufacturability, and assemblability. To address this gap, we introduce MUSE, a Text-to-CAD benchmark focused on complex, editable boundary representation (B-Rep) assemblies. MUSE pairs practical design instances with structured Design Specifications and evaluates generated models through a three-stage protocol: code check, geometric check, and design-intent alignment. The final stage uses design-specific rubrics to assess functionality, manufacturability, and assemblability, moving beyond shape matching toward practical design quality. To enable scalable evaluation, we use a rubric-based visual language model (VLM) judge and validate its reliability through human annotation. Experiments on closed-source and open-source LLMs reveal a clear failure cascade from executable code to valid geometry and finally to engineering-ready design, with even the strongest models achieving limited success on fine-grained engineering criteria. Together, MUSE provides a realistic benchmark and evaluation framework for advancing Text-to-CAD from geometric generation toward true engineering design. Our project website, including the leaderboard, dataset, and code, is available at https://dong7313.github.io/muse-benchmark/.

  • 3 authors
·
May 26

What Single-Prompt Accuracy Misses: A Multi-Variant Reliability Audit of Language Models

Single-prompt accuracy is the dominant way to benchmark language models, but it can miss reliability failures that matter. We evaluate a 15-model open-weight corpus, with the main reliability analyses focused on 10 instruct models across five classification and reasoning benchmarks under five prompt variants each, measuring accuracy, token-probability calibration, verbal-confidence calibration, verbal parse rate, and prompt-perturbation spread for every (model x dataset x variant) cell. We find three broad results. First, evaluation design can materially change the conclusion. Switching Expected Calibration Error (ECE) token from a raw to a label-set-normalised definition changes per-cell calibration by a mean absolute 0.149. More strikingly, pairing a chain-of-thought prompt with a first-character evaluator on ARC-Challenge reduces apparent accuracy by 72-88% across all five primary models; two independent repair procedures recover 93.8% and 102.7% of the lost performance, indicating an evaluator-side rather than model-side failure. Second, confidence signals are fragile. On MMLU-Pro, every primary model verbally reports confidence substantially above both its accuracy and its token-probability confidence on the same rows, and verbal parse rate can collapse for a single model on a single prompt variant. Third, prompt robustness does not track parameter count reliably. Across 10 instruct models, the correlation between model size and prompt-perturbation spread ranges from -0.244 to 0.474 across benchmarks. Taken together, these results show that reliability conclusions for small language models depend not only on the model being evaluated, but also on the evaluation pipeline used to measure it. We argue that calibration definitions, evaluator logic, verbal parseability, and prompt robustness should be reported explicitly when making reliability claims.

  • 2 authors
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May 2

TrueGL: A Truthful, Reliable, and Unified Engine for Grounded Learning in Full-Stack Search

In the age of open and free information, a concerning trend of reliance on AI is emerging. However, existing AI tools struggle to evaluate the credibility of information and to justify their assessments. Hence, there is a growing need for systems that can help users evaluate the trustworthiness of online information. Although major search engines incorporate AI features, they often lack clear reliability indicators. We present TrueGL, a model that makes trustworthy search results more accessible. The model is a fine-tuned version of IBM's Granite-1B, trained on the custom dataset and integrated into a search engine with a reliability scoring system. We evaluate the system using prompt engineering and assigning each statement a continuous reliability score from 0.1 to 1, then instructing the model to return a textual explanation alongside the score. Each model's predicted scores are measured against real scores using standard evaluation metrics. TrueGL consistently outperforms other small-scale LLMs and rule-based approaches across all experiments on key evaluation metrics, including MAE, RMSE, and R2. The model's high accuracy, broad content coverage, and ease of use make trustworthy information more accessible and help reduce the spread of false or misleading content online. Our code is publicly available at https://github.com/AlgazinovAleksandr/TrueGL, and our model is publicly released at https://huggingface.co/JoydeepC/trueGL.

  • 6 authors
·
Jun 4, 2025

Enabling Creative Exploration for Vibe Design Agents

Vibe design agents turn natural-language briefs into rendered interfaces and frontend code. Yet a useful design agent should do more than produce one valid page: it should help users explore coherent alternatives. Increasing token-level temperature is a blunt solution because it varies aesthetic decisions and syntax-sensitive code at the same time. We instead separate exploration from implementation through an inference architecture that makes design direction an explicit intermediate decision. Inspired by Verbalized Sampling, a pre-pass proposes structured design specifications with typicality scores, an external selector samples one, and the downstream generator realizes the selected specification together with the original request under fixed settings. We apply this approach to UI themes and visual-asset prompts. Across 168 prompts, with 1,255 paired comparisons per temperature for each intervention, theme sampling broadens observed selection coverage and screenshot variation, while LLM-judge preferences vary across interventions, prompt complexity, and viewport. In an online experiment with more than 300,000 tasks, the observed code-export increase remains statistically uncertain, while fewer negative feedback events coexist with more correction interactions and modest operational costs. Together, these findings identify structured design specifications as a practical control point for exploring alternative UI concepts while keeping downstream generation settings fixed.

google Google
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Sep 13 1

DepthBenchCAD: When Does Deeper Auditing Yield More Reliable Conclusions?

Generative CAD models are expected to remain behaviorally correct after parameter edits, so increasing the number of edit checks is often treated as a direct route to more reliable evaluation. Under a fixed budget, however, auditing each program more thoroughly reduces the number of tasks and independent generations that can be evaluated, which can ultimately make model-level estimates less accurate. We study this phenomenon and the conditions under which it arises. We decompose behavioral evaluation into three evidence levels: task templates, stochastic generations, and within-program edits. We define an average failure risk that is invariant to audit depth, and combine three-level variance with measured execution costs to analyze the tradeoff between deeper edit auditing and broader independent coverage. Experiments across two CAD environments and five generation systems show that the value of deeper auditing depends on where evaluation uncertainty originates. When template heterogeneity or generation stochasticity dominates, additional edit checks can increase total estimation error; when within-program state variation is large and generation is expensive, deeper auditing is more valuable. Variance and cost estimates from calibration predict the direction of this change and provide a diagnostic basis for allocating evidence on held-out tasks. These results show that the thoroughness of program inspection can diverge from the reliability of model evaluation, and they help determine whether the next unit of budget should be spent on a new task, a new generation, or additional edit checks.

  • 4 authors
·
Sep 13

BOCoDe: Engineering-Centered Benchmarking for Bayesian Optimization

Bayesian optimization (BO) is a sample-efficient, surrogate-based approach to black-box optimization (BBO), but its evaluation remains dominated by synthetic functions and hyperparameter optimization (HPO) tasks that are typically low-dimensional and single-objective. Engineering design poses a substantially different regime: problems are physics-based, often high-dimensional, constrained by requirements such as cost and manufacturability, and may involve multiple objectives or mixed variables. To close this benchmarking gap, we introduce BOCoDe, an open-source, PyTorch-native benchmark comprising 307 BBO problems, including 159 engineering design tasks and widely used synthetic and HPO benchmarks. Each problem includes cited provenance and machine-readable metadata that supports programmatic discovery, including by LLM-based agents, and all tasks are exposed through a unified API compatible with open-source BO libraries. We evaluate 31 BO and evolutionary algorithms across five problem classes spanning single- and multi-objective optimization, constrained and unconstrained settings, and mixed-variable search spaces. Analyses of problem structure show that engineering tasks uniquely span constrained and multi-objective settings that synthetic and HPO suites rarely cover, while embeddings from a tabular foundation model separate them most clearly from HPO tasks. Algorithm rankings also vary substantially across domains; in several problem classes, rankings obtained on standard benchmarks do not transfer to engineering tasks. BOCoDe establishes a reproducible and extensible foundation for developing and evaluating BO methods that better reflect the demands of engineering design. Code & data can be found at https://github.com/rosenyu304/BOCoDe

  • 5 authors
·
Aug 14

InvDesMobility: a reliability-gated first-principles feedback framework for closed-loop materials discovery

Inverse materials design starts from target functionality and searches for structures that can realize it. Its value in closed-loop discovery depends not only on prediction performance, but also on whether expensive first-principles results are independently validated, provenance-recorded, and admitted as feedback only when evidence is sufficient. This is especially important for composite properties such as carrier mobility, where a final scalar value hides intermediate quantities, fit quality, convergence history, and workflow assumptions. Here we present InvDesMobility, a reliability-gated first-principles feedback framework that integrates multi-agent automated DFT, evidence stratification, generative structure proposal, acquisition ranking, and auditable release. Using 516 2DMatPedia-derived candidates, the workflow produced 280 QC-passed materials and 573 retained carrier-direction seed channels after channel-level reliability gating. These records were split into two feedback objects: relaxed structures updated the generative model, while retained mobility channels trained the acquisition model and set validation priority. Over multiple iterations, InvDesMobility screened 2.4 x 10^6 structures, submitted 102 candidates for DFT validation, and retained 86 reliability-gated generated channels across 41 formulas. Overall, the main contribution is not a fixed list of high-mobility materials, but a transferable feedback contract that makes closed-loop inverse design both useful and auditable when learning from expensive calculated properties. All source data, retained feedback records, and workflows are available at https://github.com/DreamLufei/invDesMobility, with an accompanying evidence website at https://dreamlufei.github.io/invDesMobility/.

  • 5 authors
·
Jun 14

DATED: Guidelines for Creating Synthetic Datasets for Engineering Design Applications

Exploiting the recent advancements in artificial intelligence, showcased by ChatGPT and DALL-E, in real-world applications necessitates vast, domain-specific, and publicly accessible datasets. Unfortunately, the scarcity of such datasets poses a significant challenge for researchers aiming to apply these breakthroughs in engineering design. Synthetic datasets emerge as a viable alternative. However, practitioners are often uncertain about generating high-quality datasets that accurately represent real-world data and are suitable for the intended downstream applications. This study aims to fill this knowledge gap by proposing comprehensive guidelines for generating, annotating, and validating synthetic datasets. The trade-offs and methods associated with each of these aspects are elaborated upon. Further, the practical implications of these guidelines are illustrated through the creation of a turbo-compressors dataset. The study underscores the importance of thoughtful sampling methods to ensure the appropriate size, diversity, utility, and realism of a dataset. It also highlights that design diversity does not equate to performance diversity or realism. By employing test sets that represent uniform, real, or task-specific samples, the influence of sample size and sampling strategy is scrutinized. Overall, this paper offers valuable insights for researchers intending to create and publish synthetic datasets for engineering design, thereby paving the way for more effective applications of AI advancements in the field. The code and data for the dataset and methods are made publicly accessible at https://github.com/cyrilpic/radcomp .

  • 3 authors
·
May 15, 2023

Who Grades the Grader? Co-Evolving Evaluation Metrics and Skills for Self-Improving LLM Agents

Self-evolving agent systems improve by creating, revising, and retiring their own skills, but every such loop rests on a hidden assumption: a reliable evaluation metric already exists. In many real applications it does not. We make three claims. First, metrics can be evolved: our metric loop searches compositions of small drawback detectors under a full evolutionary lifecycle, trained to agree with a ten-item anchored reference set, regularized by consensus over unlabeled outputs, and audited against a held-out anchor it never reads, yielding a transparent, inspectable metric rather than an opaque judge. Second, since no metric exists to beat, the yardstick is recovering what an accurate metric would have enabled, and Double Ratchet, our co-evolution of the metric with a lifecycle-managed skill loop, does so: across code generation (MBPP+), enterprise text-to-SQL (Spider~2.0-Snow), and reference-free report generation, it retains 88--110\% of the held-out lift achieved by the same skill loop driven by ground truth or the best available rubric. Third, safety comes from anchor discipline plus outer audits: removing anchor guards collapses the metric into a vacuous detector while removing the lifecycle does not; and when evolved skills gamed the report rubric, an independent judge caught it, one detector repaired it, and a task-aware judge then preferred the evolved outputs over the pre-evolution baseline in 77\% of decided pairs. We argue this failure-expecting architecture is the right default wherever no reliable automatic verifier exists.

  • 7 authors
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Jul 13

VAR-MATH: Probing True Mathematical Reasoning in LLMS via Symbolic Multi-Instance Benchmarks

Recent advances in reinforcement learning (RL) have led to substantial improvements in the mathematical reasoning abilities of LLMs, as measured by standard benchmarks. Yet these gains often persist even when models are trained with flawed signals, such as random or inverted rewards. This raises a fundamental question: do such improvements reflect genuine reasoning, or are they merely artifacts of overfitting to benchmark-specific patterns? To answer this question, we adopt an evaluation-centric perspective and highlight two critical shortcomings in existing protocols. First, benchmark contamination arises because test problems are publicly available, thereby increasing the risk of data leakage. Second, evaluation fragility results from reliance on single-instance assessments, which are sensitive to stochastic outputs and fail to capture reasoning consistency. These limitations suggest the need for a new evaluation paradigm that can probe reasoning ability beyond memorization and one-off success. As response, we propose VAR-MATH, a symbolic evaluation framework that converts fixed numerical problems into parameterized templates and requires models to solve multiple instantiations of each. This design enforces consistency across structurally equivalent variants, mitigates contamination, and enhances robustness through bootstrapped metrics. We apply VAR-MATH to transform three popular benchmarks, AMC23, AIME24, and AIME25, into their symbolic counterparts, VAR-AMC23, VAR-AIME24, and VAR-AIME25. Experimental results show substantial performance drops for RL-trained models on these variabilized benchmarks, especially for smaller models, with average declines of 47.9\% on AMC23, 58.8\% on AIME24, and 72.9\% on AIME25. These findings indicate that some existing RL methods rely on superficial heuristics and fail to generalize beyond specific numerical forms.

  • 3 authors
·
Jan 4

Probabilistic Assessment of Engineered Timber Reusability after Moisture Exposure

Engineered timber is pivotal to low-carbon construction, but moisture uptake during its service life can compromise structural reliability and impede reuse within a circular economy model. Despite growing interest, quantitative standards for classifying the reusability of moisture-exposed timber are still lacking. This study develops a probabilistic framework to determine the post-exposure reusability of engineered timber. Laminated specimens were soaked to full saturation, dried to 25% moisture content, and subjected to destructive three-point flexural testing. Structural integrity was quantified by a residual-performance metric that assigns 80% weight to the retained flexural modulus and 20% to the retained maximum load, benchmarked against unexposed controls. A hierarchical Bayesian multinomial logistic model with horseshoe priors, calibrated through Markov-Chain Monte-Carlo sampling, jointly infers the decision threshold separating three Modern Methods of Construction (MMC) reuse levels and predicts those levels from five field-measurable features: density, moisture content, specimen size, grain orientation, and surface hardness. Results indicate that a single wet-dry cycle preserves 70% of specimens above the 0.90 residual-performance threshold (Level 1), whereas repeated cycling lowers the mean residual to 0.78 and reallocates many specimens to Levels 2-3. The proposed framework yields quantified decision boundaries and a streamlined on-site testing protocol, providing a foundation for robust quality assurance standards.

  • 5 authors
·
May 29, 2025

DesignRepair: Dual-Stream Design Guideline-Aware Frontend Repair with Large Language Models

The rise of Large Language Models (LLMs) has streamlined frontend interface creation through tools like Vercel's V0, yet surfaced challenges in design quality (e.g., accessibility, and usability). Current solutions, often limited by their focus, generalisability, or data dependency, fall short in addressing these complexities. Moreover, none of them examine the quality of LLM-generated UI design. In this work, we introduce DesignRepair, a novel dual-stream design guideline-aware system to examine and repair the UI design quality issues from both code aspect and rendered page aspect. We utilised the mature and popular Material Design as our knowledge base to guide this process. Specifically, we first constructed a comprehensive knowledge base encoding Google's Material Design principles into low-level component knowledge base and high-level system design knowledge base. After that, DesignRepair employs a LLM for the extraction of key components and utilizes the Playwright tool for precise page analysis, aligning these with the established knowledge bases. Finally, we integrate Retrieval-Augmented Generation with state-of-the-art LLMs like GPT-4 to holistically refine and repair frontend code through a strategic divide and conquer approach. Our extensive evaluations validated the efficacy and utility of our approach, demonstrating significant enhancements in adherence to design guidelines, accessibility, and user experience metrics.

  • 8 authors
·
Nov 3, 2024

Geometric Reliability of Neural Population Codes: Sampling Calibration and Within-Session Nonstationarity

Trial-to-trial variability limits how reliably neural population geometry can be estimated, while comparisons across populations depend on neuron and trial counts, response quality, and clustered sampling. We quantified within-session geometric reliability using Shesha, the Spearman correlation between representational dissimilarity matrices estimated from independent trial subsets, in all 39 Steinmetz Neuropixels sessions and in olfactory bulb and piriform cortex recordings from Bolding and Franks. Steinmetz analyses matched neurons and repetitions, compared observed reliability with a stationary residual-bootstrap expectation, and used mouse-level or mouse-clustered inference. Mean matched reliability was 0.0402 across 312 area-by-session recordings. Regional differences and reliability above the stationary benchmark did not survive correction. Temporal effects received the strongest support: interleaving early and late trials increased reliability relative to blocked allocation (Δ=0.02666, q=0.001953), and RDM similarity declined with within-session lag (mean mouse-level slope =-0.01912, q=0.001953; n=10 mice). Outer-cross-fitted reliability was not associated with choice-direction coupling or stimulus or response-direction decoding after correction. Olfactory comparisons remained descriptive because few paired sessions and no animal identities were available. In held-out simulations, associative recurrence outperformed feedforward subspace denoising but not divisive normalization. Representational geometry became less reproducible with temporal separation within a session, and comparisons across neural populations require sampling calibration and independent inference.

  • 1 authors
·
Sep 6 2

Generative Inverse Design of Metamaterials with Functional Responses by Interpretable Learning

Metamaterials with functional responses can exhibit varying properties under different conditions (e.g., wave-based responses or deformation-induced property variation). This work addresses the rapid inverse design of such metamaterials to meet target qualitative functional behaviors, a challenge due to its intractability and non-unique solutions. Unlike data-intensive and non-interpretable deep-learning-based methods, we propose the Random-forest-based Interpretable Generative Inverse Design (RIGID), a single-shot inverse design method for fast generation of metamaterial designs with on-demand functional behaviors. RIGID leverages the interpretability of a random forest-based "designrightarrowresponse" forward model, eliminating the need for a more complex "responserightarrowdesign" inverse model. Based on the likelihood of target satisfaction derived from the trained random forest, one can sample a desired number of design solutions using Markov chain Monte Carlo methods. We validate RIGID on acoustic and optical metamaterial design problems, each with fewer than 250 training samples. Compared to the genetic algorithm-based design generation approach, RIGID generates satisfactory solutions that cover a broader range of the design space, allowing for better consideration of additional figures of merit beyond target satisfaction. This work offers a new perspective on solving on-demand inverse design problems, showcasing the potential for incorporating interpretable machine learning into generative design under small data constraints.

  • 5 authors
·
Dec 7, 2023

DeliverBench: Benchmarking AI Agents on Delivering Realistic Multi-Stage Professional Projects

LLM agents are judged by what they deliver, and in professional work what gets delivered is a project, not a task. A project pays off only if the whole package holds, and one weak part can limit the value of the rest. Yet existing benchmarks mostly test agents on one task at a time, leaving a gap between the capability we measure and the outcome that makes agents useful. To address this gap, we introduce DeliverBench, which tests whether agents can carry a project from brief to final delivery. Its 11 projects, spanning financial due diligence, legal contract drafting, and drug safety reporting, are reconstructed with 13 domain experts from real materials and chain 150 subtasks through 2-15 rounds of new materials and client feedback. Because no reference outputs are injected, agents inherit their own errors from one task to the next. Expert rubrics then score every checkpoint as well as the final package. Across seven model-harness systems, even the best system scores only 65.0 out of 100 on final delivery and passes 50.0% of subtasks at a 90-point threshold. The failures are often failures of carrying work forward: in one audit project, all seven systems addressed the review findings, but only one preserved traceability. Together, these results suggest that task-level capability does not simply compose into delivery, which also depends on keeping the work coherent as it evolves.

  • 24 authors
·
Nov 2

EngiBench: A Framework for Data-Driven Engineering Design Research

Engineering design optimization seeks to automatically determine the shapes, topologies, or parameters of components that maximize performance under given conditions. This process often depends on physics-based simulations, which are difficult to install, computationally expensive, and require domain-specific expertise. To mitigate these challenges, we introduce EngiBench, the first open-source library and datasets spanning diverse domains for data-driven engineering design. EngiBench provides a unified API and a curated set of benchmarks -- covering aeronautics, heat conduction, photonics, and more -- that enable fair, reproducible comparisons of optimization and machine learning algorithms, such as generative or surrogate models. We also release EngiOpt, a companion library offering a collection of such algorithms compatible with the EngiBench interface. Both libraries are modular, letting users plug in novel algorithms or problems, automate end-to-end experiment workflows, and leverage built-in utilities for visualization, dataset generation, feasibility checks, and performance analysis. We demonstrate their versatility through experiments comparing state-of-the-art techniques across multiple engineering design problems, an undertaking that was previously prohibitively time-consuming to perform. Finally, we show that these problems pose significant challenges for standard machine learning methods due to highly sensitive and constrained design manifolds.

  • 12 authors
·
Jun 2, 2025 1

Reasoning effort, not tool access, buys first-try reliability in agentic code generation: an observational study

Agentic coding assistants are increasingly given extra capabilities, such as browser based testing tools and design oriented system prompts, on the assumption that more capability yields better software. This study tested that assumption directly. Ninety independent agent runs built the same application, a real time retrospective board, from one detailed specification, each scored on a fixed 14 criterion functional rubric (42 point maximum) and a visual quality review. The runs spanned several model generations, two agent harnesses, two reasoning effort levels, a testing tool, and two design oriented prompts. Capability tier dominated: frontier models clustered near the ceiling while a low cost local model fell to 24 to 37 points. A criterion level analysis revealed what run totals conceal. Container deployment was the dominant defect, failing first try in 44 percent of runs, with its failure rate shifting sharply across model generations while mean totals moved less than a point. The testing tool raised cost by 42 to 68 percent without improving functional score or reliability, even on interface visible criteria. Raising reasoning effort from High to xHigh lifted first try perfect runs from 28 percent to 89 percent and cut corrective prompts about five fold, for 9 to 29 percent more cost. A design oriented prompt raised visual quality, 4.5 versus 3.0 on a 5 point scale, without lifting function, and a one paragraph paraphrase of its directive reproduced the entire lift. The practical lesson is to match the fix to the failure: most first run failures came from weak reasoning, which a stronger model or more effort prevents, not from visible flaws a checking tool would catch.

  • 1 authors
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Jul 1

Beyond Function Calling: Benchmarking Tool-Using Agents under Tool-Environment Unreliability

Large language models are increasingly deployed as agents that solve tasks by interacting with external tool environments. Although recent tool-use benchmarks increasingly cover complex task settings, they still largely assume clean, stable, and trustworthy tool environments, leaving tool-environment unreliability insufficiently examined. We introduce ToolBench-X, a benchmark for evaluating agents under recoverable reliability hazards. ToolBench-X contains executable multi-step tasks across diverse domains and sequential, parallel, and mixed workflows, each paired with deterministic tools and a canonical final answer for automatic evaluation. Starting from clean tool environments, ToolBench-X injects five structured hazard types: Specification Drift, Invocation Error, Execution Failure, Output Drift, and Cross-source Conflict. Crucially, each injected instance remains solvable through at least one valid recovery path, such as retrying, fallback, verification, or cross-checking. Experiments reveal a substantial reliability gap: agents that perform well with reliable tools often fail under recoverable hazards. Further analysis shows that failures are driven less by tool-use volume or inference budget than by limited hazard diagnosis and ineffective recovery. Targeted recovery hints recover many failed tasks, while test-time scaling yields more limited gains. These results suggest that tool-use evaluation should move beyond function-call accuracy toward task completion under unreliable tool environments. The code and data is available at https://github.com/Foreverskyou/ToolBench-X.

  • 3 authors
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Jun 23

Spark-to-Paper: End-to-End Research Paper Generation as a Composable Skill

Turning a research idea into a complete paper requires more than text generation: the system must retrieve literature, design and execute experiments, revise claims according to evidence, produce publication-ready figures, and maintain consistency across a long generation process. We present Spark-to-Paper, an end-to-end research paper generation system implemented as thirteen composable skills inside an existing coding assistant, without requiring a separate agent platform or orchestration service. Spark-to-Paper separates model-based judgment from deterministic operations that can be directly executed and checked. It further separates experiment planning from reporting, so that required evidence is specified before results are observed and manuscript claims are revised according to measured outcomes. To improve reliability over long research trajectories, the system combines deterministic integrity checks with self-critique and bounds a failure mode we call the Self-Refutation Loop, in which repeated experiments continue to reject the original research objective. Spark-to-Paper also produces editable vector figures through programmatic plotting for experimental results and code-based reconstruction for generated method diagrams. Across eight controlled research topics, Spark-to-Paper achieves 99.5% citation validity and 96.4% figure editability. A controlled ablation increases fabrication detection from 14% for a single-pass draft to 92% with the full integrity and review stack, while adversarial review achieves 74% precision. The full system uses 11.9M tokens, costs $8.1 per manuscript, and requires 3.2 hours on average. These results show that end-to-end research paper generation can be implemented as a lightweight, composable workflow inside existing coding assistants while keeping experimental evidence central to how claims are accepted, revised, or abandoned.

  • 9 authors
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Aug 11 3

I-GLIDE: Input Groups for Latent Health Indicators in Degradation Estimation

Accurate remaining useful life (RUL) prediction hinges on the quality of health indicators (HIs), yet existing methods often fail to disentangle complex degradation mechanisms in multi-sensor systems or quantify uncertainty in HI reliability. This paper introduces a novel framework for HI construction, advancing three key contributions. First, we adapt Reconstruction along Projected Pathways (RaPP) as a health indicator (HI) for RUL prediction for the first time, showing that it outperforms traditional reconstruction error metrics. Second, we show that augmenting RaPP-derived HIs with aleatoric and epistemic uncertainty quantification (UQ) via Monte Carlo dropout and probabilistic latent spaces- significantly improves RUL-prediction robustness. Third, and most critically, we propose indicator groups, a paradigm that isolates sensor subsets to model system-specific degradations, giving rise to our novel method, I-GLIDE which enables interpretable, mechanism-specific diagnostics. Evaluated on data sourced from aerospace and manufacturing systems, our approach achieves marked improvements in accuracy and generalizability compared to state-of-the-art HI methods while providing actionable insights into system failure pathways. This work bridges the gap between anomaly detection and prognostics, offering a principled framework for uncertainty-aware degradation modeling in complex systems.

orailix Orailix
·
Nov 26, 2025 2

The Flaw of Averages: Quantifying Uniformity of Performance on Benchmarks

Benchmarks shape scientific conclusions about model capabilities and steer model development. This creates a feedback loop: stronger benchmarks drive better models, and better models demand more discriminative benchmarks. Ensuring benchmark reliability is therefore essential for trustworthy evaluation and meaningful progress. In this work, we study benchmark reliability from a distributional perspective and introduce benchmark harmony, which measures how uniformly a model's performance is distributed across the subdomains of a benchmark. We posit that high harmony is a desirable benchmark property, indicating that the aggregate metric reflects uniform competence across subdomains. Across 19 multiple-choice benchmarks and five model families, we map each benchmark onto a mean-variance plane of harmony computed across models, where high mean and low variance signal more reliable evaluation. Our analysis shows that less harmonious benchmarks can give misleading results, since overall accuracy may be disproportionately influenced by specific subdomains. For instance, ARC-Easy is overwhelmed by questions on Biological Concepts, overshadowing other critical subdomains such as Geography, Physics, Chemistry, and Environmental Science. By recommending that harmony should be reported alongside accuracy, we reframe evaluation from simple performance averages to a more robust, distributionally reliable measurement of performance.

  • 3 authors
·
Sep 29, 2025

Response Surface Methodology coupled with desirability functions for multi-objective optimization: minimizing indoor overheating hours and maximizing useful daylight illuminance

Response Surface Methodology (RSM) and desirability functions were employed in a case study to optimize the thermal and daylight performance of a computational model of a tropical housing typology. Specifically, this approach simultaneously optimized Indoor Overheating Hours (IOH) and Useful Daylight Illuminance (UDI) metrics through an Overall Desirability (D). The lack of significant association between IOH and other annual daylight metrics enabled a focused optimization of IOH and UDI. Each response required only 138 simulation runs (~30 hours for 276 runs) to determine the optimal values for passive strategies: window-to-wall ratio (WWR) and roof overhang depth across four orientations, totalling eight factors. First, initial screening based on 2_V^{8-2} fractional factorial design, identified four key factors using stepwise and Lasso regression, narrowed down to three: roof overhang depth on the south and west, WWR on the west, and WWR on the south. Then, RSM optimization yielded an optimal solution (roof overhang: 3.78 meters, west WWR: 3.76%, south WWR: 29.3%) with a D of 0.625 (IOH: 8.33%, UDI: 79.67%). Finally, robustness analysis with 1,000 bootstrap replications provided 95% confidence intervals for the optimal values. This study optimally balances thermal comfort and daylight with few experiments using a computationally-efficient multi-objective approach.

  • 2 authors
·
Sep 12, 2024

KnowRL: Teaching Language Models to Know What They Know

Truly reliable AI requires more than simply scaling up knowledge; it demands the ability to know what it knows and when it does not. Yet recent research shows that even the best LLMs misjudge their own competence in more than one in five cases, making any response born of such internal uncertainty impossible to fully trust. Inspired by self-improvement reinforcement learning techniques that require minimal data, we present a simple but powerful framework KnowRL that strengthens a model's internal understanding of its own feasibility boundaries, enabling safer and more responsible behaviour. Our framework combines two components: (i) introspection, where the model generates and classifies tasks it judges feasible or infeasible, and (ii) consensus-based rewarding, where stability of self-knowledge assessment is reinforced through internal agreement. By using internally generated data, this design strengthens consistency in self-knowledge and entirely avoids costly external supervision. In experiments on LLaMA-3.1-8B and Qwen-2.5-7B, KnowRL steadily improved self-knowledge, validated by both intrinsic self-consistency and extrinsic benchmarking. With nothing more than a small seed set and no external supervision, our method drove gains as high as 28% in accuracy and 12% in F1, outperforming baselines in just a few iterations. Our framework essentially unlocks the untapped capacity of LLMs to self-improve their knowledge awareness, opening the door to reliable, more accountable AI and safer deployment in critical applications. Owing to its simplicity and independence from external effort, we encourage applying this reliability-enhancing process to all future models.

  • 2 authors
·
Oct 13, 2025

Evaluating Robustness of Reward Models for Mathematical Reasoning

Reward models are key in reinforcement learning from human feedback (RLHF) systems, aligning the model behavior with human preferences. Particularly in the math domain, there have been plenty of studies using reward models to align policies for improving reasoning capabilities. Recently, as the importance of reward models has been emphasized, RewardBench is proposed to understand their behavior. However, we figure out that the math subset of RewardBench has different representations between chosen and rejected completions, and relies on a single comparison, which may lead to unreliable results as it only see an isolated case. Therefore, it fails to accurately present the robustness of reward models, leading to a misunderstanding of its performance and potentially resulting in reward hacking. In this work, we introduce a new design for reliable evaluation of reward models, and to validate this, we construct RewardMATH, a benchmark that effectively represents the robustness of reward models in mathematical reasoning tasks. We demonstrate that the scores on RewardMATH strongly correlate with the results of optimized policy and effectively estimate reward overoptimization, whereas the existing benchmark shows almost no correlation. The results underscore the potential of our design to enhance the reliability of evaluation, and represent the robustness of reward model. We make our code and data publicly available.

  • 7 authors
·
Oct 2, 2024

Sibyl-AutoResearch: Autonomous Research Needs Self-Evolving Trial-and-Error Harnesses, Not Paper Generators

Autonomous research systems increasingly make the scientific workflow executable: agents can propose ideas, run code, inspect results, and draft papers. But executable workflows do not by themselves produce research judgment. We analyze where current systems lose trial experience: weak evidence becomes prose, pilot signals become broad claims, memory remains textual, and recurring process failures do not change later behavior. We introduce Sibyl-AutoResearch, a self-evolving AutoResearch framework built around Scientific Trial-and-Error Harnesses. A harness lets agents run bounded trials, preserve positive and negative outcomes, and route lessons into later planning, validation, claim scope, scheduling, critique, writing, and harness repair. We formalize this through two auditable conversion units: trial-to-behavior conversion, which links trial signals to later research actions, and trial-to-harness-behavior conversion, which links recurring process failures to system updates. We implement the framework in SIBYL, a file-backed autonomous research system that exposes the state, roles, memory, gates, and artifact traces needed to inspect these conversion paths. A retrospective audit identifies eight high-confidence conversion events, with a median latency of one iteration and a maximum latency of three iterations. A recovered-failure registry further shows how five naturally occurring failure classes, including duplicate results, stale numbers, and unsupported statistics, were blocked, downgraded, or routed into later repair. These traces do not establish a comparative performance claim; they show that the proposed conversion units are recoverable from realistic autonomous-research workspaces. The SIBYL framework and system are available at https://github.com/Sibyl-Research-Team/AutoResearch-SibylSystem.

  • 6 authors
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May 20

DEsignBench: Exploring and Benchmarking DALL-E 3 for Imagining Visual Design

We introduce DEsignBench, a text-to-image (T2I) generation benchmark tailored for visual design scenarios. Recent T2I models like DALL-E 3 and others, have demonstrated remarkable capabilities in generating photorealistic images that align closely with textual inputs. While the allure of creating visually captivating images is undeniable, our emphasis extends beyond mere aesthetic pleasure. We aim to investigate the potential of using these powerful models in authentic design contexts. In pursuit of this goal, we develop DEsignBench, which incorporates test samples designed to assess T2I models on both "design technical capability" and "design application scenario." Each of these two dimensions is supported by a diverse set of specific design categories. We explore DALL-E 3 together with other leading T2I models on DEsignBench, resulting in a comprehensive visual gallery for side-by-side comparisons. For DEsignBench benchmarking, we perform human evaluations on generated images in DEsignBench gallery, against the criteria of image-text alignment, visual aesthetic, and design creativity. Our evaluation also considers other specialized design capabilities, including text rendering, layout composition, color harmony, 3D design, and medium style. In addition to human evaluations, we introduce the first automatic image generation evaluator powered by GPT-4V. This evaluator provides ratings that align well with human judgments, while being easily replicable and cost-efficient. A high-resolution version is available at https://github.com/design-bench/design-bench.github.io/raw/main/designbench.pdf?download=

  • 5 authors
·
Oct 23, 2023 2

Aligning Optimization Trajectories with Diffusion Models for Constrained Design Generation

Generative models have had a profound impact on vision and language, paving the way for a new era of multimodal generative applications. While these successes have inspired researchers to explore using generative models in science and engineering to accelerate the design process and reduce the reliance on iterative optimization, challenges remain. Specifically, engineering optimization methods based on physics still outperform generative models when dealing with constrained environments where data is scarce and precision is paramount. To address these challenges, we introduce Diffusion Optimization Models (DOM) and Trajectory Alignment (TA), a learning framework that demonstrates the efficacy of aligning the sampling trajectory of diffusion models with the optimization trajectory derived from traditional physics-based methods. This alignment ensures that the sampling process remains grounded in the underlying physical principles. Our method allows for generating feasible and high-performance designs in as few as two steps without the need for expensive preprocessing, external surrogate models, or additional labeled data. We apply our framework to structural topology optimization, a fundamental problem in mechanical design, evaluating its performance on in- and out-of-distribution configurations. Our results demonstrate that TA outperforms state-of-the-art deep generative models on in-distribution configurations and halves the inference computational cost. When coupled with a few steps of optimization, it also improves manufacturability for out-of-distribution conditions. By significantly improving performance and inference efficiency, DOM enables us to generate high-quality designs in just a few steps and guide them toward regions of high performance and manufacturability, paving the way for the widespread application of generative models in large-scale data-driven design.

  • 4 authors
·
May 29, 2023

CANVAS: A Benchmark for Vision-Language Models on Tool-Based User Interface Design

User interface (UI) design is an iterative process in which designers progressively refine their work with design software such as Figma or Sketch. Recent advances in vision language models (VLMs) with tool invocation suggest these models can operate design software to edit a UI design through iteration. Understanding and enhancing this capacity is important, as it highlights VLMs' potential to collaborate with designers within conventional software. However, as no existing benchmark evaluates tool-based design performance, the capacity remains unknown. To address this, we introduce CANVAS, a benchmark for VLMs on tool-based user interface design. Our benchmark contains 598 tool-based design tasks paired with ground-truth references sampled from 3.3K mobile UI designs across 30 function-based categories (e.g., onboarding, messaging). In each task, a VLM updates the design step-by-step through context-based tool invocations (e.g., create a rectangle as a button background), linked to design software. Specifically, CANVAS incorporates two task types: (i) design replication evaluates the ability to reproduce a whole UI screen; (ii) design modification evaluates the ability to modify a specific part of an existing screen. Results suggest that leading models exhibit more strategic tool invocations, improving design quality. Furthermore, we identify common error patterns models exhibit, guiding future work in enhancing tool-based design capabilities.

  • 5 authors
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Nov 25, 2025

WebDesignIter: Co-Evolving Design Knowledge for Repository-Level Front-End Code Generation

Front-end development accumulates change after change at the repository level, weaving complex cross-file dependencies that current LLM coding agents tuned for single-shot tasks cannot reliably track across multiple iterations, leading to functional regressions and code that resists maintenance. We argue the missing piece is design knowledge: architectural principles, module responsibilities, and structural constraints that developers lean on to keep code readable, maintainable, and evolvable as a system scales. To operationalize this, we propose WebDesignIter, a framework built around a persistent knowledge graph (WebAppArchKG) that fuses repository structure with design knowledge and keeps both in sync across development cycles. WebDesignIter works in two stages: design-informed planning pulls historical context and architectural overviews from WebAppArchKG to produce an implementation plan with corresponding test scripts, and design-aware generation executes that plan through targeted diff-based patches, validated by sandbox execution and automatic syntax repair. On Web-Bench, WebDesignIter delivers an average Pass@2 gain of 9.55 percentage points across nine foundation models over existing baselines. More importantly, WebDesignIter outperforms every general-purpose coding agent Claude Code, OpenHands, SWE-Agent, Codex CLI on every model configuration, posting the highest Pass@1 and Pass@2 while consuming 2530 fewer input tokens. Ablation singles out design knowledge as the most impactful component: stripping it drops Pass@1 by 11.40 percentage points, a degradation far larger than removing code-graph retrieval, patch-based generation, or sandbox verification, confirming that design knowledge provides a fundamentally more efficient and reliable path to repository-level code generation.

  • 5 authors
·
Jul 11

Adaptive Safety Evaluation for Connected and Automated Vehicles with Sparse Control Variates

Safety performance evaluation is critical for developing and deploying connected and automated vehicles (CAVs). One prevailing way is to design testing scenarios using prior knowledge of CAVs, test CAVs in these scenarios, and then evaluate their safety performances. However, significant differences between CAVs and prior knowledge could severely reduce the evaluation efficiency. Towards addressing this issue, most existing studies focus on the adaptive design of testing scenarios during the CAV testing process, but so far they cannot be applied to high-dimensional scenarios. In this paper, we focus on the adaptive safety performance evaluation by leveraging the testing results, after the CAV testing process. It can significantly improve the evaluation efficiency and be applied to high-dimensional scenarios. Specifically, instead of directly evaluating the unknown quantity (e.g., crash rates) of CAV safety performances, we evaluate the differences between the unknown quantity and known quantity (i.e., control variates). By leveraging the testing results, the control variates could be well designed and optimized such that the differences are close to zero, so the evaluation variance could be dramatically reduced for different CAVs. To handle the high-dimensional scenarios, we propose the sparse control variates method, where the control variates are designed only for the sparse and critical variables of scenarios. According to the number of critical variables in each scenario, the control variates are stratified into strata and optimized within each stratum using multiple linear regression techniques. We justify the proposed method's effectiveness by rigorous theoretical analysis and empirical study of high-dimensional overtaking scenarios.

  • 6 authors
·
Dec 1, 2022

The Drill-Down and Fabricate Test (DDFT): A Protocol for Measuring Epistemic Robustness in Language Models

Current language model evaluations measure what models know under ideal conditions but not how robustly they know it under realistic stress. Static benchmarks like MMLU and TruthfulQA cannot distinguish a model that lacks knowledge from one whose verification mechanisms collapse when information degrades or adversaries probe for weaknesses. We introduce the Drill-Down and Fabricate Test (DDFT), a protocol that measures epistemic robustness: a model's ability to maintain factual accuracy under progressive semantic compression and adversarial fabrication. We propose a two-system cognitive model comprising a Semantic System that generates fluent text and an Epistemic Verifier that validates factual accuracy. Our findings, based on evaluating 9 frontier models across 8 knowledge domains at 5 compression levels (1,800 turn-level evaluations), reveal that epistemic robustness is orthogonal to conventional design paradigms. Neither parameter count (r=0.083, p=0.832) nor architectural type (r=0.153, p=0.695) significantly predicts robustness, suggesting it emerges from training methodology and verification mechanisms distinct from current approaches. Error detection capability strongly predicts overall robustness (rho=-0.817, p=0.007), indicating this is the critical bottleneck. We find that flagship models exhibit brittleness despite their scale, while smaller models can achieve robust performance, challenging assumptions about the relationship between model size and reliability. The DDFT framework provides both theoretical foundation and practical tools for assessing epistemic robustness before deployment in critical applications.

  • 1 authors
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Apr 2

Large Discovery Models: Empirically-grounded Model-Based Open-Ended Search

Scientific discovery often involves optimising expensive-to-evaluate objectives over vast, structured, and open-ended hypothesis spaces, such as molecules, protein sequences, and computer programs. Generative models such as large language models (LLMs) provide expressive priors over such spaces, but their likelihoods and self-assessments are unreliable proxies for the objectives and calibrated epistemic uncertainty, especially for novel candidates outside the observed data distribution. We introduce the Large Discovery Model (LDM), an empirically grounded recurrent architecture that couples a generative model with a Bayesian non-parametric reward surrogate model. The generative model proposes and refines candidate designs, while the surrogate predicts their performance and quantifies uncertainty, yielding an uncertainty-aware value that guides candidate generation, refinement, and selection. The discovery memory and the surrogate model are continually updated as each new experimental observation arrives. We evaluate LDM on three scenarios spanning different design modalities and objectives, including neural-network training, antibody design, and molecular optimisation. Compared to LLM-only reflection or traditional statistical search across these domains, LDM achieves a 2.4times greater reduction in validation BPB, an 18.2% relative decrease in binding energy, and more than 60% relative gains in molecular multi-objective performance. These results suggests that LDM could serve as a general-purpose discovery engine for effective search over open-ended hypothesis spaces.

Design Anything, Design at Scale

As multimodal resources are transformed into media outputs, agentic AI is expected to stay aligned with design intent over long horizons. Designers follow briefs specifying goals, constraints, and deliverables, with later work building on earlier decisions. Recent work reuses design experience across tasks, yet alignment among artifacts within one project remains challenging. Agents therefore need to preserve and apply this intent across domains and as projects grow. We introduce Design Anything, a graph-based harness that preserves design intent outside the model and binds deliverables to the workflow steps that produce them through an intent-execution graph. A task contract retains constraints and decisions, selected designs become explicit inputs to later generations, and a deterministic controller uses bindings and execution records to check output types and counts, identify outstanding deliverables, and guide subsequent turns. We also introduce DesignAnything-Bench, with 228 tasks across 19 design domains, including 38 project families at scales of 6, 14, and 24 artifacts. With the LLM held fixed, Design Anything satisfies 85.0% and 92.5% of the brief's factual constraints with DeepSeek V4.1 Flash High and GPT-5.6 Sol High, respectively, exceeding the strongest same-model baselines by 15.4% and 14.4%. These gains reach 25.1% and 23.0% on 24-artifact tasks. Under each model, Design Anything leads or ties in constraint satisfaction in 18 of 19 domains. Professional designers also prefer its complete deliverable sets over those of same-model baselines in a blind evaluation.

  • 11 authors
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Oct 16 2

What AI Benchmarks Actually Measure: Adapting Convergent and Discriminant Validity to Interrogate Fifty-Six AI Benchmarks

Benchmarks play a central role in the development and governance of models, yet it is often unclear whether they actually measure the concepts they purport to measure (e.g., reasoning, refusal). We adapt convergent and discriminant validity from the social sciences into an approach for interrogating AI benchmarks, applying it to 56 capability and safety benchmarks across 53 models. We label benchmarks with substantively similar purported concepts to a shared assigned concept, and ask whether model rankings on benchmarks with the same assigned concept correlate more strongly than rankings on benchmarks with different assigned concepts. We ask analogous questions at the item level using item response theory (IRT) models. We find that correlations between model rankings on benchmarks with the same assigned safety concepts are often weak, suggesting these concepts may be conceptualized inconsistently across benchmarks. For assigned capability concepts (e.g., reasoning, knowledge), model rankings are often as strongly correlated among benchmarks with the same assigned concept as between benchmarks with different assigned concepts, suggesting these capability concepts may not discriminate well from one another. In some cases, benchmarks that share design elements (e.g., score format) correlate more strongly than benchmarks with the same assigned concept. Finally, some individual benchmarks correlate more strongly with benchmarks assigned a different concept than with benchmarks sharing their own assigned concept, suggesting they may measure a different concept than they purport to. For example, BBQ-accuracy correlates more strongly with benchmarks labeled reasoning than with benchmarks that share its assigned concept, bias. To support future empirical work on benchmark validity, we release our extensive dataset of model outputs and scores at the item- and benchmark-level.

  • 11 authors
·
Sep 7

AGO AI Quality Gate: Evidence-First Release Decisions for Retrieval-Augmented Generation

Enterprises adopting retrieval-augmented generation (RAG) face a recurring operational decision: promote, revise, or block a system version. The evidence is incomplete and the metrics come from fallible LLM judges. We report on AGO AI Quality Gate (AGO), an evidence-first quality-gate framework deployed in industrial RAG assessment engagements. AGO integrates four key components: a four-state decision model that treats missing data and judge errors as explicit outcomes; layered scoring combining deterministic checks, local guardrails, and structured LLM evaluation; a stratified beta-binomial gate that quantifies regression risk probabilistically; and a mandatory meta-evaluation protocol to validate the LLM judge before it influences decisions. Since engagement data is proprietary, we evaluate the judge layer on RAGBench, a public benchmark of 100k annotated RAG traces across 12 datasets. On identical stratified test samples (N=1200 per judge), a low-cost judge (gpt-4.1-nano) detects non-adherent answers barely above chance (AUROC 0.603 [0.570, 0.634]), despite producing flawless protocol output, while gpt-4o reaches 0.783 [0.756, 0.807] -- yet its per-domain performance still ranges from 0.62 to 0.88. A fixed-seed gate study spanning regression, no change, and improvement quantifies unsafe promotion, false-alarm cost, and improvement throughput. Under regression, the decision-grade profile reduces unsafe promotion to 22.2%-35.1%, against 29.3%-41.8% for a naive gate. These results support the design choices that judge quality must be measured per engagement and that point estimates alone are not a release decision.

  • 6 authors
·
Sep 30 2

ReliableMath: Benchmark of Reliable Mathematical Reasoning on Large Language Models

Although demonstrating remarkable performance on reasoning tasks, Large Language Models (LLMs) still tend to fabricate unreliable responses when confronted with problems that are unsolvable or beyond their capability, severely undermining the reliability. Prior studies of LLM reliability have primarily focused on knowledge tasks to identify unanswerable questions, while mathematical reasoning tasks have remained unexplored due to the dearth of unsolvable math problems. To systematically investigate LLM reliability in mathematical reasoning tasks, we formulate the reliability evaluation for both solvable and unsolvable problems. We then develop a ReliableMath dataset which incorporates open-source solvable problems and high-quality unsolvable problems synthesized by our proposed construction workflow with human evaluations. Experiments are conducted on various LLMs with several key findings uncovered. LLMs fail to directly identify unsolvable problems and always generate fabricated responses. When instructing LLMs to indicate unsolvability using a reliable prompt, the reliability of larger-sized LLMs remains on solvable problems, but notably improves on unsolvable problems yet still falls short of solvable problems. However, small LLMs rarely show any progress despite employing reliable prompts. Therefore, we further propose an alignment strategy to enhance small LLMs' reliability, which can significantly improve LLM reliability performances on both in-domain and out-of-domain tasks.

  • 10 authors
·
Jul 3, 2025

Σ-Mem: An Online Reliability Memory for LLM-based Multi-Agent Systems

Memory is central to long-horizon LLM agents, yet existing memory systems primarily preserve interaction content rather than modeling which agents can be trusted and under what conditions. This limitation is particularly important in multi-agent systems, where a central model may be unable to directly verify plausible or correlated peer responses. We introduce Σ-Mem, an online reliability memory that records historical competence evidence for individual peers and peer relationship evidence across the peer set. Both forms of evidence are maintained as real symmetric states and updated from post-decision correctness feedback. By Weyl's inequality, the spectral change caused by each event-level update is bounded, enabling stable online adaptation without retraining the underlying models. Σ-Mem provides a general write-and-read interface: the same memory can be used for residual steering of a central model, response-free peer routing, or reliability-weighted voting. Across five Qwen-family models, Σ-Mem adapts to counterfactual reliability shifts and generalizes to unseen peers and task domains. Direct memory readouts also outperform majority voting and the best fixed peer over the full OOD evaluation set. Moreover, performance improves consistently as more correctness feedback becomes available, indicating that Σ-Mem progressively accumulates actionable reliability information. These results establish reliability memory as a reusable foundation for adaptive coordination in LLM-based multi-agent systems.

ScreenProof: Where Is This Screen Wrong? Finding UI Faults Without a Reference

A phone screen can be wrong in ways that need no reference: a label that runs off the screen, letters that touch, a line that breaks one character before its end, one button with sharp corners among round ones. We ask whether a model can box every such fault on a screenshot, given no target design and no reference image. Such a critic could serve as a cheap first pass over generated pages before a designer reviews them, but only if it stays silent on clean pages. ScreenProof poses this target-free critique over three families of faults: general faults, local style faults (one element breaks the style its page sets) and text layout faults (letter spacing, line height, line breaks). A data engine makes each fault in page code and records the changed element's box, and hard negatives change every sibling alike. No frontier judge is reliable: frontier models flag 18-62% of clean real screenshots and 18-82% of clean generated pages, find 47-72% of text layout faults, and rarely find a foreign icon (5-19%). Our small critic ProofJudge (Qwen3.5-9B with LoRA), trained on code-made pages with one to four faults each and keeping a finding only when it is confident, reaches F1 0.48, the highest of all judges (Gemini 4 Argon 0.37; open models at most 0.15; 0.46 even without the confidence cut), and is the only fault-finding judge within 15% false alarms on clean pages (2% real, 9% generated), the property such a first pass needs, at about a hundredth of Argon's cost. It finds the most general faults (59%) but fewer local style faults than Argon (25% against 41%) and fewer text layout faults than the API judges (43%; Gemini 4 Argon 47%). Against a named brand the task is harder still: models know a design language about as well as its public documentation states it.

  • 9 authors
·
Nov 5

When Agents Fail to Act: A Diagnostic Framework for Tool Invocation Reliability in Multi-Agent LLM Systems

Multi-agent systems powered by large language models (LLMs) are transforming enterprise automation, yet systematic evaluation methodologies for assessing tool-use reliability remain underdeveloped. We introduce a comprehensive diagnostic framework that leverages big data analytics to evaluate procedural reliability in intelligent agent systems, addressing critical needs for SME-centric deployment in privacy-sensitive environments. Our approach features a 12-category error taxonomy capturing failure modes across tool initialization, parameter handling, execution, and result interpretation. Through systematic evaluation of 1,980 deterministic test instances spanning both open-weight models (Qwen2.5 series, Functionary) and proprietary alternatives (GPT-4, Claude 3.5/3.7) across diverse edge hardware configurations, we identify actionable reliability thresholds for production deployment. Our analysis reveals that procedural reliability, particularly tool initialization failures, constitutes the primary bottleneck for smaller models, while qwen2.5:32b achieves flawless performance matching GPT-4.1. The framework demonstrates that mid-sized models (qwen2.5:14b) offer practical accuracy-efficiency trade-offs on commodity hardware (96.6\% success rate, 7.3 s latency), enabling cost-effective intelligent agent deployment for resource-constrained organizations. This work establishes foundational infrastructure for systematic reliability evaluation of tool-augmented multi-agent AI systems.

  • 3 authors
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Jan 21