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Jun 16

LLMs-in-the-Loop Part 2: Expert Small AI Models for Anonymization and De-identification of PHI Across Multiple Languages

The rise of chronic diseases and pandemics like COVID-19 has emphasized the need for effective patient data processing while ensuring privacy through anonymization and de-identification of protected health information (PHI). Anonymized data facilitates research without compromising patient confidentiality. This paper introduces expert small AI models developed using the LLM-in-the-loop methodology to meet the demand for domain-specific de-identification NER models. These models overcome the privacy risks associated with large language models (LLMs) used via APIs by eliminating the need to transmit or store sensitive data. More importantly, they consistently outperform LLMs in de-identification tasks, offering superior performance and reliability. Our de-identification NER models, developed in eight languages (English, German, Italian, French, Romanian, Turkish, Spanish, and Arabic) achieved f1-micro score averages of 0.966, 0.975, 0.976, 0.970, 0.964, 0.974, 0.978, and 0.953 respectively. These results establish them as the most accurate healthcare anonymization solutions, surpassing existing small models and even general-purpose LLMs such as GPT-4o. While Part-1 of this series introduced the LLM-in-the-loop methodology for bio-medical document translation, this second paper showcases its success in developing cost-effective expert small NER models in de-identification tasks. Our findings lay the groundwork for future healthcare AI innovations, including biomedical entity and relation extraction, demonstrating the value of specialized models for domain-specific challenges.

  • 3 authors
·
Dec 14, 2024

Navigating the Synchrony-Stability Frontier in Adaptive Chatbots

Adaptive chatbots that mimic a user's linguistic style can build rapport and engagement, yet unconstrained mimicry risks an agent that feels unstable or sycophantic. We present a computational evaluation framework that makes the core design tension explicit: balancing moment-to-moment linguistic synchrony against long-term persona stability. Using an 8-dimensional style vector and a closed-loop "base+delta" prompting architecture, we simulate and compare explicit adaptation policies - Uncapped, Cap, Exponential Moving Average (EMA), Dead-Band, and Hybrids - on a human-log dataset. Our analysis maps a clear Pareto frontier: bounded policies achieve substantial gains in stability at a modest cost to synchrony. For example, a Hybrid (EMA+Cap) raises stability from 0.542 to 0.878 (+62%) while reducing synchrony by only 17%. We confirm this trade-off through large-scale replications on three public corpora (DailyDialog, Persona-Chat, EmpatheticDialogues) and LLM-in-the-loop validation across two model families. Furthermore, we quantify "prompt legibility," showing that frontier policies reduce instruction churn and cut jarring register flips (major tone changes) from 0.254 to 0.092, yielding systems that are easier to reason about and maintain. Taken together, our framework provides a general evaluation harness for style adaptation; a systematic ablation that identifies Pareto-efficient policies; robust validation across diverse datasets and models; and novel legibility metrics linking policy choices to system maintainability.

  • 1 authors
·
Sep 30, 2025

HierSVA: A Data Synthesis Pipeline, Dataset, and Benchmark for LLM-Driven Hierarchical Hardware Formal Verification

We present HierSVA, an integrated suite that combines a pipeline, dataset, and benchmark for LLM-driven hierarchical hardware formal verification. HierSVA-SP pairs an RTL preprocessing toolchain with an LLM-in-the-loop formal verification flow to produce reference SystemVerilog Assertions (SVA) on hierarchical RTL. Applying it to BaseJump STL yields HierSVA-DS, a dataset of 342 modules, with hierarchy metadata and depths 0--9, accompanied by a deep subset of 28 module-bug pairs with natural-language specifications and bug variants. HierSVA-B decomposes assertion quality into six metric axes: syntax correctness, assertion proof success rate, vacuity, specification faithfulness, mutation coverage, and formal core coverage. Applying HierSVA-B to twelve recent LLMs reveals three findings. First, the module-level compile rate is 67.1\%; among generated assertions in evaluable runs, 82.1\% prove non-vacuously, but the corresponding assertion sets detect only 70.2\% of eligible injected faults and cover 36.2\% of the formal core. Second, on 211 evaluable model--module entries in the deep subset, assertion sets flag buggy RTL with 0.87 recall, but 40\% of predicted-buggy outcomes are false positives on correct RTL, limiting precision to 0.60. Third, agentic mode improves S1-style provability and strength metrics, but gains plateau and oscillate. Codes and artifacts are available at https://github.com/HierSVAAnon/HierSVACodeAndArtifacts{https://github.com/HierSVAAnon/HierSVACodeAndArtifacts}. Dataset is available at https://huggingface.co/datasets/AnonymousHierSVA/HierSVA{https://huggingface.co/datasets/AnonymousHierSVA/HierSVA}.

  • 8 authors
·
Jun 8

ACORN: Aspect-wise Commonsense Reasoning Explanation Evaluation

Evaluating free-text explanations is a multifaceted, subjective, and labor-intensive task. Large language models (LLMs) present an appealing alternative due to their potential for consistency, scalability, and cost-efficiency. In this work, we present ACORN, a new dataset of 3,500 free-text explanations and aspect-wise quality ratings, and use it to gain insights into how LLMs evaluate explanations. We observed that replacing one of the human ratings sometimes maintained, but more often lowered the inter-annotator agreement across different settings and quality aspects, suggesting that their judgments are not always consistent with human raters. We further quantified this difference by comparing the correlation between LLM-generated ratings with majority-voted human ratings across different quality aspects. With the best system, Spearman's rank correlation ranged between 0.53 to 0.95, averaging 0.72 across aspects, indicating moderately high but imperfect alignment. Finally, we considered the alternative of using an LLM as an additional rater when human raters are scarce, and measured the correlation between majority-voted labels with a limited human pool and LLMs as an additional rater, compared to the original gold labels. While GPT-4 improved the outcome when there were only two human raters, in all other observed cases, LLMs were neutral to detrimental when there were three or more human raters. We publicly release the dataset to support future improvements in LLM-in-the-loop evaluation here: https://github.com/a-brassard/ACORN.

  • 5 authors
·
May 8, 2024

AVO: Agentic Variation Operators for Autonomous Evolutionary Search

Agentic Variation Operators (AVO) are a new family of evolutionary variation operators that replace the fixed mutation, crossover, and hand-designed heuristics of classical evolutionary search with autonomous coding agents. Rather than confining a language model to candidate generation within a prescribed pipeline, AVO instantiates variation as a self-directed agent loop that can consult the current lineage, a domain-specific knowledge base, and execution feedback to propose, repair, critique, and verify implementation edits. We evaluate AVO on attention, among the most aggressively optimized kernel targets in AI, on NVIDIA Blackwell (B200) GPUs. Over 7 days of continuous autonomous evolution on multi-head attention, AVO discovers kernels that outperform cuDNN by up to 3.5% and FlashAttention-4 by up to 10.5% across the evaluated configurations. The discovered optimizations transfer readily to grouped-query attention, requiring only 30 minutes of additional autonomous adaptation and yielding gains of up to 7.0% over cuDNN and 9.3% over FlashAttention-4. Together, these results show that agentic variation operators move beyond prior LLM-in-the-loop evolutionary pipelines by elevating the agent from candidate generator to variation operator, and can discover performance-critical micro-architectural optimizations that produce kernels surpassing state-of-the-art expert-engineered attention implementations on today's most advanced GPU hardware.

  • 23 authors
·
Mar 25 2

CHIME: LLM-Assisted Hierarchical Organization of Scientific Studies for Literature Review Support

Literature review requires researchers to synthesize a large amount of information and is increasingly challenging as the scientific literature expands. In this work, we investigate the potential of LLMs for producing hierarchical organizations of scientific studies to assist researchers with literature review. We define hierarchical organizations as tree structures where nodes refer to topical categories and every node is linked to the studies assigned to that category. Our naive LLM-based pipeline for hierarchy generation from a set of studies produces promising yet imperfect hierarchies, motivating us to collect CHIME, an expert-curated dataset for this task focused on biomedicine. Given the challenging and time-consuming nature of building hierarchies from scratch, we use a human-in-the-loop process in which experts correct errors (both links between categories and study assignment) in LLM-generated hierarchies. CHIME contains 2,174 LLM-generated hierarchies covering 472 topics, and expert-corrected hierarchies for a subset of 100 topics. Expert corrections allow us to quantify LLM performance, and we find that while they are quite good at generating and organizing categories, their assignment of studies to categories could be improved. We attempt to train a corrector model with human feedback which improves study assignment by 12.6 F1 points. We release our dataset and models to encourage research on developing better assistive tools for literature review.

  • 8 authors
·
Jul 22, 2024

ATANT: An Evaluation Framework for AI Continuity

We present ATANT (Automated Test for Acceptance of Narrative Truth), an open evaluation framework for measuring continuity in AI systems: the ability to persist, update, disambiguate, and reconstruct meaningful context across time. While the AI industry has produced memory components (RAG pipelines, vector databases, long context windows, profile layers), no published framework formally defines or measures whether these components produce genuine continuity. We define continuity as a system property with 7 required properties, introduce a 10-checkpoint evaluation methodology that operates without an LLM in the evaluation loop, and present a narrative test corpus of 250 stories comprising 1,835 verification questions across 6 life domains. We evaluate a reference implementation across 5 test suite iterations, progressing from 58% (legacy architecture) to 100% in isolated mode (250 stories) and 100% in 50-story cumulative mode, with 96% at 250-story cumulative scale. The cumulative result is the primary measure: when 250 distinct life narratives coexist in the same database, the system must retrieve the correct fact for the correct context without cross-contamination. ATANT is system-agnostic, model-independent, and designed as a sequenced methodology for building and validating continuity systems. The framework specification, example stories, and evaluation protocol are available at https://github.com/Kenotic-Labs/ATANT. The full 250-story corpus will be released incrementally.

Kenotic-Labs Kenotic Labs
·
Apr 7 2

LLMAuditor: A Framework for Auditing Large Language Models Using Human-in-the-Loop

As Large Language Models (LLMs) become more pervasive across various users and scenarios, identifying potential issues when using these models becomes essential. Examples of such issues include: bias, inconsistencies, and hallucination. Although auditing the LLM for these problems is often warranted, such a process is neither easy nor accessible for most. An effective method is to probe the LLM using different versions of the same question. This could expose inconsistencies in its knowledge or operation, indicating potential for bias or hallucination. However, to operationalize this auditing method at scale, we need an approach to create those probes reliably and automatically. In this paper we propose the LLMAuditor framework which is an automatic, and scalable solution, where one uses a different LLM along with human-in-the-loop (HIL). This approach offers verifiability and transparency, while avoiding circular reliance on the same LLM, and increasing scientific rigor and generalizability. Specifically, LLMAuditor includes two phases of verification using humans: standardized evaluation criteria to verify responses, and a structured prompt template to generate desired probes. A case study using questions from the TruthfulQA dataset demonstrates that we can generate a reliable set of probes from one LLM that can be used to audit inconsistencies in a different LLM. This process is enhanced by our structured prompt template with HIL, which not only boosts the reliability of our approach in auditing but also yields the delivery of less hallucinated results. The novelty of our research stems from the development of a comprehensive, general-purpose framework that includes a HIL verified prompt template for auditing responses generated by LLMs.

  • 7 authors
·
Feb 14, 2024

Bias in the Loop: Auditing LLM-as-a-Judge for Software Engineering

Large Language Models are increasingly used as judges to evaluate code artifacts when exhaustive human review or executable test coverage is unavailable. LLM-judge is increasingly relevant in agentic software engineering workflows, where it can help rank candidate solutions and guide patch selection. While attractive for scale, current practice lacks a principled account of reliability and bias: repeated evaluations of the same case can disagree; small prompt edits can swing outcomes; and seemingly semantics-preserving, human-equivalent perturbations may elicit divergent verdicts. This paper studies LLM-as-a-Judge for code through a measurement-first lens. We analyze two pointwise judging regimes across code generation, code repair task, and test generation, and we systematically probe prompt-induced biases. Our study considers difficulty levels for repeated runs and controlled prompt interventions that isolate one presentation cue at a time, and it evaluates judges using consistency and sensitivity to bias. We find that judge decisions are highly sensitive to prompt biases even when the underlying code snippet is unchanged. Across all three tasks, several biases systematically shift preferences toward the option favored by the prompt, improving accuracy when that option aligns with the gold answer but substantially reducing it otherwise. In some settings, these effects are large enough to change task-level conclusions and alter relative model rankings. These findings show that reported judge performance may reflect prompt artifacts rather than stable assessment ability, posing a direct threat to the validity and reproducibility of code evaluation. We therefore argue that LLM-as-a-Judge studies should report bias sensitivity alongside accuracy and incorporate explicit controls to support more trustworthy model comparison in software engineering.

  • 3 authors
·
Apr 17

Enabling Self-Improving Agents to Learn at Test Time With Human-In-The-Loop Guidance

Large language model (LLM) agents often struggle in environments where rules and required domain knowledge frequently change, such as regulatory compliance and user risk screening. Current approaches, like offline fine-tuning and standard prompting, are insufficient because they cannot effectively adapt to new knowledge during actual operation. To address this limitation, we propose the Adaptive Reflective Interactive Agent (ARIA), an LLM agent framework designed specifically to continuously learn updated domain knowledge at test time. ARIA assesses its own uncertainty through structured self-dialogue, proactively identifying knowledge gaps and requesting targeted explanations or corrections from human experts. It then systematically updates an internal, timestamped knowledge repository with provided human guidance, detecting and resolving conflicting or outdated knowledge through comparisons and clarification queries. We evaluate ARIA on the realistic customer due diligence name screening task on TikTok Pay, alongside publicly available dynamic knowledge tasks. Results demonstrate significant improvements in adaptability and accuracy compared to baselines using standard offline fine-tuning and existing self-improving agents. ARIA is deployed within TikTok Pay serving over 150 million monthly active users, confirming its practicality and effectiveness for operational use in rapidly evolving environments.

  • 11 authors
·
Oct 9, 2025

STRUCTSENSE: A Task-Agnostic Agentic Framework for Structured Information Extraction with Human-In-The-Loop Evaluation and Benchmarking

The ability to extract structured information from unstructured sources-such as free-text documents and scientific literature-is critical for accelerating scientific discovery and knowledge synthesis. Large Language Models (LLMs) have demonstrated remarkable capabilities in various natural language processing tasks, including structured information extraction. However, their effectiveness often diminishes in specialized, domain-specific contexts that require nuanced understanding and expert-level domain knowledge. In addition, existing LLM-based approaches frequently exhibit poor transferability across tasks and domains, limiting their scalability and adaptability. To address these challenges, we introduce StructSense, a modular, task-agnostic, open-source framework for structured information extraction built on LLMs. StructSense is guided by domain-specific symbolic knowledge encoded in ontologies, enabling it to navigate complex domain content more effectively. It further incorporates agentic capabilities through self-evaluative judges that form a feedback loop for iterative refinement, and includes human-in-the-loop mechanisms to ensure quality and validation. We demonstrate that StructSense can overcome both the limitations of domain sensitivity and the lack of cross-task generalizability, as shown through its application to diverse neuroscience information extraction tasks.

  • 8 authors
·
Aug 4, 2025

NagaNLP: Bootstrapping NLP for Low-Resource Nagamese Creole with Human-in-the-Loop Synthetic Data

The vast majority of the world's languages, particularly creoles like Nagamese, remain severely under-resourced in Natural Language Processing (NLP), creating a significant barrier to their representation in digital technology. This paper introduces NagaNLP, a comprehensive open-source toolkit for Nagamese, bootstrapped through a novel methodology that relies on LLM-driven but human-validated synthetic data generation. We detail a multi-stage pipeline where an expert-guided LLM (Gemini) generates a candidate corpus, which is then refined and annotated by native speakers. This synthetic-hybrid approach yielded a 10K pair conversational dataset and a high-quality annotated corpus for foundational tasks. To assess the effectiveness of our methodology, we trained both discriminative and generative models. Our fine-tuned XLM-RoBERTa-base model establishes a new benchmark for Nagamese, achieving a 93.81\% accuracy (0.90 F1-Macro) on Part-of-Speech tagging and a 0.75 F1-Macro on Named Entity Recognition, massively outperforming strong zero-shot baselines. Furthermore, we fine-tuned a Llama-3.2-3B Instruct model, named NagaLLaMA, which demonstrates superior performance on conversational tasks, achieving a Perplexity of 3.85, an order of magnitude improvement over its few-shot counterpart (96.76). We release the NagaNLP toolkit, including all datasets, models, and code, providing a foundational resource for a previously underserved language and a reproducible framework for reducing data scarcity in other low-resource contexts.

  • 3 authors
·
Dec 13, 2025

Tales of the 2025 Los Angeles Fire: Hotwash for Public Health Concerns in Reddit via LLM-Enhanced Topic Modeling

Wildfires have become increasingly frequent, irregular, and severe in recent years. Understanding how affected populations perceive and respond during wildfire crises is critical for timely and empathetic disaster response. Social media platforms offer a crowd-sourced channel to capture evolving public discourse, providing hyperlocal information and insight into public sentiment. This study analyzes Reddit discourse during the 2025 Los Angeles wildfires, spanning from the onset of the disaster to full containment. We collect 385 posts and 114,879 comments related to the Palisades and Eaton fires. We adopt topic modeling methods to identify the latent topics, enhanced by large language models (LLMs) and human-in-the-loop (HITL) refinement. Furthermore, we develop a hierarchical framework to categorize latent topics, consisting of two main categories, Situational Awareness (SA) and Crisis Narratives (CN). The volume of SA category closely aligns with real-world fire progressions, peaking within the first 2-5 days as the fires reach the maximum extent. The most frequent co-occurring category set of public health and safety, loss and damage, and emergency resources expands on a wide range of health-related latent topics, including environmental health, occupational health, and one health. Grief signals and mental health risks consistently accounted for 60 percentage and 40 percentage of CN instances, respectively, with the highest total volume occurring at night. This study contributes the first annotated social media dataset on the 2025 LA fires, and introduces a scalable multi-layer framework that leverages topic modeling for crisis discourse analysis. By identifying persistent public health concerns, our results can inform more empathetic and adaptive strategies for disaster response, public health communication, and future research in comparable climate-related disaster events.

  • 10 authors
·
May 14, 2025

DataFlow: An LLM-Driven Framework for Unified Data Preparation and Workflow Automation in the Era of Data-Centric AI

The rapidly growing demand for high-quality data in Large Language Models (LLMs) has intensified the need for scalable, reliable, and semantically rich data preparation pipelines. However, current practices remain dominated by ad-hoc scripts and loosely specified workflows, which lack principled abstractions, hinder reproducibility, and offer limited support for model-in-the-loop data generation. To address these challenges, we present DataFlow, a unified and extensible LLM-driven data preparation framework. DataFlow is designed with system-level abstractions that enable modular, reusable, and composable data transformations, and provides a PyTorch-style pipeline construction API for building debuggable and optimizable dataflows. The framework consists of nearly 200 reusable operators and six domain-general pipelines spanning text, mathematical reasoning, code, Text-to-SQL, agentic RAG, and large-scale knowledge extraction. To further improve usability, we introduce DataFlow-Agent, which automatically translates natural-language specifications into executable pipelines via operator synthesis, pipeline planning, and iterative verification. Across six representative use cases, DataFlow consistently improves downstream LLM performance. Our math, code, and text pipelines outperform curated human datasets and specialized synthetic baselines, achieving up to +3\% execution accuracy in Text-to-SQL over SynSQL, +7\% average improvements on code benchmarks, and 1--3 point gains on MATH, GSM8K, and AIME. Moreover, a unified 10K-sample dataset produced by DataFlow enables base models to surpass counterparts trained on 1M Infinity-Instruct data. These results demonstrate that DataFlow provides a practical and high-performance substrate for reliable, reproducible, and scalable LLM data preparation, and establishes a system-level foundation for future data-centric AI development.

PekingUniversity Peking University
·
Dec 18, 2025 4

Utility-Preserving De-Identification for Math Tutoring: Investigating Numeric Ambiguity in the MathEd-PII Benchmark Dataset

Large-scale sharing of dialogue-based data is instrumental for advancing the science of teaching and learning, yet rigorous de-identification remains a major barrier. In mathematics tutoring transcripts, numeric expressions frequently resemble structured identifiers (e.g., dates or IDs), leading generic Personally Identifiable Information (PII) detection systems to over-redact core instructional content and reduce dataset utility. This work asks how PII can be detected in math tutoring transcripts while preserving their educational utility. To address this challenge, we investigate the "numeric ambiguity" problem and introduce MathEd-PII, the first benchmark dataset for PII detection in math tutoring dialogues, created through a human-in-the-loop LLM workflow that audits upstream redactions and generates privacy-preserving surrogates. The dataset contains 1,000 tutoring sessions (115,620 messages; 769,628 tokens) with validated PII annotations. Using a density-based segmentation method, we show that false PII redactions are disproportionately concentrated in math-dense regions, confirming numeric ambiguity as a key failure mode. We then compare four detection strategies: a Presidio baseline and LLM-based approaches with basic, math-aware, and segment-aware prompting. Math-aware prompting substantially improves performance over the baseline (F1: 0.821 vs. 0.379) while reducing numeric false positives, demonstrating that de-identification must incorporate domain context to preserve analytic utility. This work provides both a new benchmark and evidence that utility-preserving de-identification for tutoring data requires domain-aware modeling.

  • 10 authors
·
Feb 17

FROAV: A Framework for RAG Observation and Agent Verification -- Lowering the Barrier to LLM Agent Research

The rapid advancement of Large Language Models (LLMs) and their integration into autonomous agent systems has created unprecedented opportunities for document analysis, decision support, and knowledge retrieval. However, the complexity of developing, evaluating, and iterating on LLM-based agent workflows presents significant barriers to researchers, particularly those without extensive software engineering expertise. We present FROAV (Framework for RAG Observation and Agent Verification), an open-source research platform that democratizes LLM agent research by providing a plug-and-play architecture combining visual workflow orchestration, a comprehensive evaluation framework, and extensible Python integration. FROAV implements a multi-stage Retrieval-Augmented Generation (RAG) pipeline coupled with a rigorous "LLM-as-a-Judge" evaluation system, all accessible through intuitive graphical interfaces. Our framework integrates n8n for no-code workflow design, PostgreSQL for granular data management, FastAPI for flexible backend logic, and Streamlit for human-in-the-loop interaction. Through this integrated ecosystem, researchers can rapidly prototype RAG strategies, conduct prompt engineering experiments, validate agent performance against human judgments, and collect structured feedback-all without writing infrastructure code. We demonstrate the framework's utility through its application to financial document analysis, while emphasizing its material-agnostic architecture that adapts to any domain requiring semantic analysis. FROAV represents a significant step toward making LLM agent research accessible to a broader scientific community, enabling researchers to focus on hypothesis testing and algorithmic innovation rather than system integration challenges.

  • 2 authors
·
Jan 11

See What LLMs Cannot Answer: A Self-Challenge Framework for Uncovering LLM Weaknesses

The impressive performance of Large Language Models (LLMs) has consistently surpassed numerous human-designed benchmarks, presenting new challenges in assessing the shortcomings of LLMs. Designing tasks and finding LLMs' limitations are becoming increasingly important. In this paper, we investigate the question of whether an LLM can discover its own limitations from the errors it makes. To this end, we propose a Self-Challenge evaluation framework with human-in-the-loop. Starting from seed instances that GPT-4 fails to answer, we prompt GPT-4 to summarize error patterns that can be used to generate new instances and incorporate human feedback on them to refine these patterns for generating more challenging data, iteratively. We end up with 8 diverse patterns, such as text manipulation and questions with assumptions. We then build a benchmark, SC-G4, consisting of 1,835 instances generated by GPT-4 using these patterns, with human-annotated gold responses. The SC-G4 serves as a challenging benchmark that allows for a detailed assessment of LLMs' abilities. Our results show that only 44.96\% of instances in SC-G4 can be answered correctly by GPT-4. Interestingly, our pilot study indicates that these error patterns also challenge other LLMs, such as Claude-3 and Llama-3, and cannot be fully resolved through fine-tuning. Our work takes the first step to demonstrate that LLMs can autonomously identify their inherent flaws and provide insights for future dynamic and automatic evaluation.

  • 9 authors
·
Aug 16, 2024

Reliable Weak-to-Strong Monitoring of LLM Agents

We stress test monitoring systems for detecting covert misbehavior in autonomous LLM agents (e.g., secretly sharing private information). To this end, we systematize a monitor red teaming (MRT) workflow that incorporates: (1) varying levels of agent and monitor situational awareness; (2) distinct adversarial strategies to evade the monitor, such as prompt injection; and (3) two datasets and environments -- SHADE-Arena for tool-calling agents and our new CUA-SHADE-Arena, which extends TheAgentCompany, for computer-use agents. We run MRT on existing LLM monitor scaffoldings, which orchestrate LLMs and parse agent trajectories, alongside a new hybrid hierarchical-sequential scaffolding proposed in this work. Our empirical results yield three key findings. First, agent awareness dominates monitor awareness: an agent's knowledge that it is being monitored substantially degrades the monitor's reliability. On the contrary, providing the monitor with more information about the agent is less helpful than expected. Second, monitor scaffolding matters more than monitor awareness: the hybrid scaffolding consistently outperforms baseline monitor scaffolding, and can enable weaker models to reliably monitor stronger agents -- a weak-to-strong scaling effect. Third, in a human-in-the-loop setting where humans discuss with the LLM monitor to get an updated judgment for the agent's behavior, targeted human oversight is most effective; escalating only pre-flagged cases to human reviewers improved the TPR by approximately 15% at FPR = 0.01. Our work establishes a standard workflow for MRT, highlighting the lack of adversarial robustness for LLMs and humans when monitoring and detecting agent misbehavior. We release code, data, and logs to spur further research.

  • 8 authors
·
Aug 26, 2025

LEAP: A closed-loop framework for perovskite precursor additive discovery

Efficient discovery of precursor additives is essential for improving the performance of perovskite solar cells, yet the large chemical space makes conventional trial-and-error screening inefficient. We develop LEAP(LLM-driven Exploration via Active Learning for Perovskites), an expert-in-the-loop closed framework that couples a domain-specialized large language model(LLM) with active learning for iterative additive prioritization. The LLM is trained to extract mechanism-relevant knowledge from the perovskite additive literature and to represent candidate molecules through interpretable descriptors, which are further integrated into a Bayesian optimization workflow for uncertainty-aware prioritization under low-data conditions. Benchmark results on unseen literature show that the domain-specialized model outperforms general-purpose models in mechanism-consistent reasoning. Experimental validation in an expert-in-the-loop proof-of-concept study suggests improved additive prioritization across three screening rounds, leading to average device PCEs of 20.13% and 20.87% for the later-round 6-CDQ- and 2-CNA-treated devices, respectively, compared with 19.25% for the control, with a champion PCE of 21.32%. These results provide preliminary evidence that literature-grounded mechanistic descriptors, when coupled with Bayesian optimization and expert feasibility review, can support mechanism-aware additive prioritization in perovskite photovoltaics.

  • 6 authors
·
May 17

KubeIntellect: A Modular LLM-Orchestrated Agent Framework for End-to-End Kubernetes Management

Kubernetes has become the foundation of modern cloud-native infrastructure, yet its management remains complex and fragmented. Administrators must navigate a vast API surface, manage heterogeneous workloads, and coordinate tasks across disconnected tools - often requiring precise commands, YAML configuration, and contextual expertise. This paper presents KubeIntellect, a Large Language Model (LLM)-powered system for intelligent, end-to-end Kubernetes control. Unlike existing tools that focus on observability or static automation, KubeIntellect supports natural language interaction across the full spectrum of Kubernetes API operations, including read, write, delete, exec, access control, lifecycle, and advanced verbs. The system uses modular agents aligned with functional domains (e.g., logs, metrics, RBAC), orchestrated by a supervisor that interprets user queries, maintains workflow memory, invokes reusable tools, or synthesizes new ones via a secure Code Generator Agent. KubeIntellect integrates memory checkpoints, human-in-the-loop clarification, and dynamic task sequencing into a structured orchestration framework. Evaluation results show a 93% tool synthesis success rate and 100% reliability across 200 natural language queries, demonstrating the system's ability to operate efficiently under diverse workloads. An automated demo environment is provided on Azure, with additional support for local testing via kind. This work introduces a new class of interpretable, extensible, and LLM-driven systems for managing complex infrastructure.

  • 2 authors
·
Sep 2, 2025

Mozi: Governed Autonomy for Drug Discovery LLM Agents

Tool-augmented large language model (LLM) agents promise to unify scientific reasoning with computation, yet their deployment in high-stakes domains like drug discovery is bottlenecked by two critical barriers: unconstrained tool-use governance and poor long-horizon reliability. In dependency-heavy pharmaceutical pipelines, autonomous agents often drift into irreproducible trajectories, where early-stage hallucinations multiplicatively compound into downstream failures. To overcome this, we present Mozi, a dual-layer architecture that bridges the flexibility of generative AI with the deterministic rigor of computational biology. Layer A (Control Plane) establishes a governed supervisor--worker hierarchy that enforces role-based tool isolation, limits execution to constrained action spaces, and drives reflection-based replanning. Layer B (Workflow Plane) operationalizes canonical drug discovery stages -- from Target Identification to Lead Optimization -- as stateful, composable skill graphs. This layer integrates strict data contracts and strategic human-in-the-loop (HITL) checkpoints to safeguard scientific validity at high-uncertainty decision boundaries. Operating on the design principle of ``free-form reasoning for safe tasks, structured execution for long-horizon pipelines,'' Mozi provides built-in robustness mechanisms and trace-level audibility to completely mitigate error accumulation. We evaluate Mozi on PharmaBench, a curated benchmark for biomedical agents, demonstrating superior orchestration accuracy over existing baselines. Furthermore, through end-to-end therapeutic case studies, we demonstrate Mozi's ability to navigate massive chemical spaces, enforce stringent toxicity filters, and generate highly competitive in silico candidates, effectively transforming the LLM from a fragile conversationalist into a reliable, governed co-scientist.

The RealHumanEval: Evaluating Large Language Models' Abilities to Support Programmers

Evaluation of large language models (LLMs) for code has primarily relied on static benchmarks, including HumanEval (Chen et al., 2021), which measure the ability of LLMs to generate complete code that passes unit tests. As LLMs are increasingly used as programmer assistants, we study whether gains on existing benchmarks translate to gains in programmer productivity when coding with LLMs, including time spent coding. In addition to static benchmarks, we investigate the utility of preference metrics that might be used as proxies to measure LLM helpfulness, such as code acceptance or copy rates. To do so, we introduce RealHumanEval, a web interface to measure the ability of LLMs to assist programmers, through either autocomplete or chat support. We conducted a user study (N=213) using RealHumanEval in which users interacted with six LLMs of varying base model performance. Despite static benchmarks not incorporating humans-in-the-loop, we find that improvements in benchmark performance lead to increased programmer productivity; however gaps in benchmark versus human performance are not proportional -- a trend that holds across both forms of LLM support. In contrast, we find that programmer preferences do not correlate with their actual performance, motivating the need for better, human-centric proxy signals. We also open-source RealHumanEval to enable human-centric evaluation of new models and the study data to facilitate efforts to improve code models.

  • 10 authors
·
Apr 3, 2024

LLM Interactive Optimization of Open Source Python Libraries -- Case Studies and Generalization

With the advent of large language models (LLMs) like GPT-3, a natural question is the extent to which these models can be utilized for source code optimization. This paper presents methodologically stringent case studies applied to well-known open source python libraries pillow and numpy. We find that contemporary LLM ChatGPT-4 (state September and October 2023) is surprisingly adept at optimizing energy and compute efficiency. However, this is only the case in interactive use, with a human expert in the loop. Aware of experimenter bias, we document our qualitative approach in detail, and provide transcript and source code. We start by providing a detailed description of our approach in conversing with the LLM to optimize the _getextrema function in the pillow library, and a quantitative evaluation of the performance improvement. To demonstrate qualitative replicability, we report further attempts on another locus in the pillow library, and one code locus in the numpy library, to demonstrate generalization within and beyond a library. In all attempts, the performance improvement is significant (factor up to 38). We have also not omitted reporting of failed attempts (there were none). We conclude that LLMs are a promising tool for code optimization in open source libraries, but that the human expert in the loop is essential for success. Nonetheless, we were surprised by how few iterations were required to achieve substantial performance improvements that were not obvious to the expert in the loop. We would like bring attention to the qualitative nature of this study, more robust quantitative studies would need to introduce a layer of selecting experts in a representative sample -- we invite the community to collaborate.

  • 1 authors
·
Dec 8, 2023

Enhancing LLM Reasoning via Critique Models with Test-Time and Training-Time Supervision

Training large language models (LLMs) to spend more time thinking and reflection before responding is crucial for effectively solving complex reasoning tasks in fields such as science, coding, and mathematics. However, the effectiveness of mechanisms like self-reflection and self-correction depends on the model's capacity to accurately assess its own performance, which can be limited by factors such as initial accuracy, question difficulty, and the lack of external feedback. In this paper, we delve into a two-player paradigm that separates the roles of reasoning and critique models, where the critique model provides step-level feedback to supervise the reasoning (actor) model during both test-time and train-time. We first propose AutoMathCritique, an automated and scalable framework for collecting critique data, resulting in a dataset of 76,321 responses paired with step-level feedback. Fine-tuning language models with this dataset enables them to generate natural language feedback for mathematical reasoning. We demonstrate that the critique models consistently improve the actor's performance on difficult queries at test-time, especially when scaling up inference-time computation. Motivated by these findings, we introduce the critique-based supervision to the actor's self-training process, and propose a critique-in-the-loop self-improvement method. Experiments show that the method improves the actor's exploration efficiency and solution diversity, especially on challenging queries, leading to a stronger reasoning model. Lastly, we take the preliminary step to explore training self-talk reasoning models via critique supervision and showcase its potential. Our code and datasets are at https://mathcritique.github.io/{https://mathcritique.github.io/}.

  • 24 authors
·
Nov 25, 2024

Towards Human-Guided, Data-Centric LLM Co-Pilots

Machine learning (ML) has the potential to revolutionize various domains, but its adoption is often hindered by the disconnect between the needs of domain experts and translating these needs into robust and valid ML tools. Despite recent advances in LLM-based co-pilots to democratize ML for non-technical domain experts, these systems remain predominantly focused on model-centric aspects while overlooking critical data-centric challenges. This limitation is problematic in complex real-world settings where raw data often contains complex issues, such as missing values, label noise, and domain-specific nuances requiring tailored handling. To address this we introduce CliMB-DC, a human-guided, data-centric framework for LLM co-pilots that combines advanced data-centric tools with LLM-driven reasoning to enable robust, context-aware data processing. At its core, CliMB-DC introduces a novel, multi-agent reasoning system that combines a strategic coordinator for dynamic planning and adaptation with a specialized worker agent for precise execution. Domain expertise is then systematically incorporated to guide the reasoning process using a human-in-the-loop approach. To guide development, we formalize a taxonomy of key data-centric challenges that co-pilots must address. Thereafter, to address the dimensions of the taxonomy, we integrate state-of-the-art data-centric tools into an extensible, open-source architecture, facilitating the addition of new tools from the research community. Empirically, using real-world healthcare datasets we demonstrate CliMB-DC's ability to transform uncurated datasets into ML-ready formats, significantly outperforming existing co-pilot baselines for handling data-centric challenges. CliMB-DC promises to empower domain experts from diverse domains -- healthcare, finance, social sciences and more -- to actively participate in driving real-world impact using ML.

  • 5 authors
·
Jan 17, 2025

Towards Safer AI Moderation: Evaluating LLM Moderators Through a Unified Benchmark Dataset and Advocating a Human-First Approach

As AI systems become more integrated into daily life, the need for safer and more reliable moderation has never been greater. Large Language Models (LLMs) have demonstrated remarkable capabilities, surpassing earlier models in complexity and performance. Their evaluation across diverse tasks has consistently showcased their potential, enabling the development of adaptive and personalized agents. However, despite these advancements, LLMs remain prone to errors, particularly in areas requiring nuanced moral reasoning. They struggle with detecting implicit hate, offensive language, and gender biases due to the subjective and context-dependent nature of these issues. Moreover, their reliance on training data can inadvertently reinforce societal biases, leading to inconsistencies and ethical concerns in their outputs. To explore the limitations of LLMs in this role, we developed an experimental framework based on state-of-the-art (SOTA) models to assess human emotions and offensive behaviors. The framework introduces a unified benchmark dataset encompassing 49 distinct categories spanning the wide spectrum of human emotions, offensive and hateful text, and gender and racial biases. Furthermore, we introduced SafePhi, a QLoRA fine-tuned version of Phi-4, adapting diverse ethical contexts and outperforming benchmark moderators by achieving a Macro F1 score of 0.89, where OpenAI Moderator and Llama Guard score 0.77 and 0.74, respectively. This research also highlights the critical domains where LLM moderators consistently underperformed, pressing the need to incorporate more heterogeneous and representative data with human-in-the-loop, for better model robustness and explainability.

  • 4 authors
·
Aug 9, 2025

PathAlign: A vision-language model for whole slide images in histopathology

Microscopic interpretation of histopathology images underlies many important diagnostic and treatment decisions. While advances in vision-language modeling raise new opportunities for analysis of such images, the gigapixel-scale size of whole slide images (WSIs) introduces unique challenges. Additionally, pathology reports simultaneously highlight key findings from small regions while also aggregating interpretation across multiple slides, often making it difficult to create robust image-text pairs. As such, pathology reports remain a largely untapped source of supervision in computational pathology, with most efforts relying on region-of-interest annotations or self-supervision at the patch-level. In this work, we develop a vision-language model based on the BLIP-2 framework using WSIs paired with curated text from pathology reports. This enables applications utilizing a shared image-text embedding space, such as text or image retrieval for finding cases of interest, as well as integration of the WSI encoder with a frozen large language model (LLM) for WSI-based generative text capabilities such as report generation or AI-in-the-loop interactions. We utilize a de-identified dataset of over 350,000 WSIs and diagnostic text pairs, spanning a wide range of diagnoses, procedure types, and tissue types. We present pathologist evaluation of text generation and text retrieval using WSI embeddings, as well as results for WSI classification and workflow prioritization (slide-level triaging). Model-generated text for WSIs was rated by pathologists as accurate, without clinically significant error or omission, for 78% of WSIs on average. This work demonstrates exciting potential capabilities for language-aligned WSI embeddings.

  • 17 authors
·
Jun 27, 2024

DiagrammerGPT: Generating Open-Domain, Open-Platform Diagrams via LLM Planning

Text-to-image (T2I) generation has seen significant growth over the past few years. Despite this, there has been little work on generating diagrams with T2I models. A diagram is a symbolic/schematic representation that explains information using structurally rich and spatially complex visualizations (e.g., a dense combination of related objects, text labels, directional arrows, connection lines, etc.). Existing state-of-the-art T2I models often fail at diagram generation because they lack fine-grained object layout control when many objects are densely connected via complex relations such as arrows/lines and also often fail to render comprehensible text labels. To address this gap, we present DiagrammerGPT, a novel two-stage text-to-diagram generation framework that leverages the layout guidance capabilities of LLMs (e.g., GPT-4) to generate more accurate open-domain, open-platform diagrams. In the first stage, we use LLMs to generate and iteratively refine 'diagram plans' (in a planner-auditor feedback loop) which describe all the entities (objects and text labels), their relationships (arrows or lines), and their bounding box layouts. In the second stage, we use a diagram generator, DiagramGLIGEN, and a text label rendering module to generate diagrams following the diagram plans. To benchmark the text-to-diagram generation task, we introduce AI2D-Caption, a densely annotated diagram dataset built on top of the AI2D dataset. We show quantitatively and qualitatively that our DiagrammerGPT framework produces more accurate diagrams, outperforming existing T2I models. We also provide comprehensive analysis including open-domain diagram generation, vector graphic diagram generation in different platforms, human-in-the-loop diagram plan editing, and multimodal planner/auditor LLMs (e.g., GPT-4Vision). We hope our work can inspire further research on diagram generation via T2I models and LLMs.

  • 4 authors
·
Oct 18, 2023

SpineBench: A Clinically Salient, Level-Aware Benchmark Powered by the SpineMed-450k Corpus

Spine disorders affect 619 million people globally and are a leading cause of disability, yet AI-assisted diagnosis remains limited by the lack of level-aware, multimodal datasets. Clinical decision-making for spine disorders requires sophisticated reasoning across X-ray, CT, and MRI at specific vertebral levels. However, progress has been constrained by the absence of traceable, clinically-grounded instruction data and standardized, spine-specific benchmarks. To address this, we introduce SpineMed, an ecosystem co-designed with practicing spine surgeons. It features SpineMed-450k, the first large-scale dataset explicitly designed for vertebral-level reasoning across imaging modalities with over 450,000 instruction instances, and SpineBench, a clinically-grounded evaluation framework. SpineMed-450k is curated from diverse sources, including textbooks, guidelines, open datasets, and ~1,000 de-identified hospital cases, using a clinician-in-the-loop pipeline with a two-stage LLM generation method (draft and revision) to ensure high-quality, traceable data for question-answering, multi-turn consultations, and report generation. SpineBench evaluates models on clinically salient axes, including level identification, pathology assessment, and surgical planning. Our comprehensive evaluation of several recently advanced large vision-language models (LVLMs) on SpineBench reveals systematic weaknesses in fine-grained, level-specific reasoning. In contrast, our model fine-tuned on SpineMed-450k demonstrates consistent and significant improvements across all tasks. Clinician assessments confirm the diagnostic clarity and practical utility of our model's outputs.

  • 26 authors
·
Oct 3, 2025 2

MOSAIC: A Unified Platform for Cross-Paradigm Comparison and Evaluation of Homogeneous and Heterogeneous Multi-Agent RL, LLM, VLM, and Human Decision-Makers

Reinforcement learning (RL), large language models (LLMs), and vision-language models (VLMs) have been widely studied in isolation. However, existing infrastructure lacks the ability to deploy agents from different decision-making paradigms within the same environment, making it difficult to study them in hybrid multi-agent settings or to compare their behaviour fairly under identical conditions. We present MOSAIC, an open-source platform that bridges this gap by incorporating a diverse set of existing reinforcement learning environments and enabling heterogeneous agents (RL policies, LLMs, VLMs, and human players) to operate within them in ad-hoc team settings with reproducible results. MOSAIC introduces three contributions. (i) An IPC-based worker protocol that wraps both native and third-party frameworks as isolated subprocess workers, each executing its native training and inference logic unmodified, communicating through a versioned inter-process protocol. (ii) An operator abstraction that forms an agent-level interface by mapping workers to agents: each operator, regardless of whether it is backed by an RL policy, an LLM, or a human, conforms to a minimal unified interface. (iii) A deterministic cross-paradigm evaluation framework offering two complementary modes: a manual mode that advances up to N concurrent operators in lock-step under shared seeds for fine-grained visual inspection of behavioural differences, and a script mode that drives automated, long-running evaluation through declarative Python scripts, for reproducible experiments. We release MOSAIC as an open, visual-first platform to facilitate reproducible cross-paradigm research across the RL, LLM, and human-in-the-loop communities.

  • 8 authors
·
Mar 1

Automatic Calibration and Error Correction for Large Language Models via Pareto Optimal Self-Supervision

Large language models (LLMs) have demonstrated remarkable capabilities out of box for a wide range of applications, yet accuracy still remains a major growth area, especially in mission-critical domains such as biomedicine. An effective method to calibrate the confidence level on LLM responses is essential to automatically detect errors and facilitate human-in-the-loop verification. An important source of calibration signals stems from expert-stipulated programmatic supervision, which is often available at low cost but has its own limitations such as noise and coverage. In this paper, we introduce a Pareto optimal self-supervision framework that can leverage available programmatic supervision to systematically calibrate LLM responses by producing a risk score for every response, without any additional manual efforts. This is accomplished by learning a harmonizer model to align LLM output with other available supervision sources, which would assign higher risk scores to more uncertain LLM responses and facilitate error correction. Experiments on standard relation extraction tasks in biomedical and general domains demonstrate the promise of this approach, with our proposed risk scores highly correlated with the real error rate of LLMs. For the most uncertain test instances, dynamic prompting based on our proposed risk scores results in significant accuracy improvement for off-the-shelf LLMs, boosting GPT-3 results past state-of-the-art (SOTA) weak supervision and GPT-4 results past SOTA supervised results on challenging evaluation datasets.

  • 4 authors
·
Jun 28, 2023 1

FormalMATH: Benchmarking Formal Mathematical Reasoning of Large Language Models

Formal mathematical reasoning remains a critical challenge for artificial intelligence, hindered by limitations of existing benchmarks in scope and scale. To address this, we present FormalMATH, a large-scale Lean4 benchmark comprising 5,560 formally verified problems spanning from high-school Olympiad challenges to undergraduate-level theorems across diverse domains (e.g., algebra, applied mathematics, calculus, number theory, and discrete mathematics). To mitigate the inefficiency of manual formalization, we introduce a novel human-in-the-loop autoformalization pipeline that integrates: (1) specialized large language models (LLMs) for statement autoformalization, (2) multi-LLM semantic verification, and (3) negation-based disproof filtering strategies using off-the-shelf LLM-based provers. This approach reduces expert annotation costs by retaining 72.09% of statements before manual verification while ensuring fidelity to the original natural-language problems. Our evaluation of state-of-the-art LLM-based theorem provers reveals significant limitations: even the strongest models achieve only 16.46% success rate under practical sampling budgets, exhibiting pronounced domain bias (e.g., excelling in algebra but failing in calculus) and over-reliance on simplified automation tactics. Notably, we identify a counterintuitive inverse relationship between natural-language solution guidance and proof success in chain-of-thought reasoning scenarios, suggesting that human-written informal reasoning introduces noise rather than clarity in the formal reasoning settings. We believe that FormalMATH provides a robust benchmark for benchmarking formal mathematical reasoning.

  • 13 authors
·
May 5, 2025 1

Formal that "Floats" High: Formal Verification of Floating Point Arithmetic

Formal verification of floating-point arithmetic remains challenging due to non-linear arithmetic behavior and the tight coupling between control and datapath logic. Existing approaches often rely on high-level C models for equivalence checking against Register Transfer Level (RTL) designs, but this introduces abstraction gaps, translation overhead, and limits scalability at the RTL level. To address these challenges, this paper presents a scalable methodology for verifying floating-point arithmetic using direct RTL-to-RTL model checking against a golden reference model. The approach adopts a divide-and conquer strategy that decomposes verification into modular stages, each captured by helper assertions and lemmas that collectively prove a main correctness theorem. Counterexample (CEX)-guided refinement is used to iteratively localize and resolve implementation defects, while targeted fault injection validates the robustness of the verification process against precision-critical datapath errors. To assess scalability and practicality, the methodology is extended with agentic AI-based formal property generation, integrating large language model (LLM)-driven automation with Human-in-the-Loop (HITL) refinement. Coverage analysis evaluates the effectiveness of the approach by comparing handwritten and AI-generated properties in both RTL-to-RTL model checking and standalone RTL verification settings. Results show that direct RTL-to-RTL model checking achieves higher coverage efficiency and requires fewer assertions than standalone verification, especially when combined with AI-generated properties refined through HITL guidance.

  • 3 authors
·
Dec 7, 2025

DeEscalWild: A Real-World Benchmark for Automated De-Escalation Training with SLMs

Effective de-escalation is critical for law enforcement safety and community trust, yet traditional training methods lack scalability and realism. While Large Language Models (LLMs) enable dynamic, open-ended simulations, their substantial computational footprint renders them impractical for deployment on the lightweight, portable hardware required for immersive field training. Small Language Models (SLMs) offer a viable real-time alternative but suffer from a critical scarcity of high-quality, domain-specific training data. To bridge this gap, we present DeEscalWild, a novel benchmark dataset curated from a multi-stage pipeline of in-the-wild police-civilian interactions extracted from publicly available video repositories. Starting with 5,000 raw inputs, we employed a rigorous hybrid filtering process combining human-in-the-loop verification with LLM-as-a-Judge evaluation to distill 1,500 high-fidelity scenarios. The resulting corpus comprises 285,887 dialogue turns, totaling approximately 4.7 million tokens. Extensive experiments demonstrate that SLMs fine-tuned on this data significantly outperform their base counterparts across ROUGE-L, BLEU-4, METEOR, BERTScore, Realism Score, and human evaluation metrics. Notably, our fine-tuned Qwen 2.5 (3B-Instruct) surpasses the general-purpose Gemini 2.5 Flash model when evaluated under equivalent conditions, demonstrating that domain-optimized SLMs can achieve superior performance with a fraction of the computational cost. This work establishes the foundational infrastructure for accessible, low-latency, and privacy-preserving officer training systems at the edge. We publicly release our code(https://github.com/Hasebul/DeEscalWild-Benchmark-Framework) and dataset(https://doi.org/10.7910/DVN/CWMCZI).

  • 5 authors
·
May 6

AnyTask: an Automated Task and Data Generation Framework for Advancing Sim-to-Real Policy Learning

Generalist robot learning remains constrained by data: large-scale, diverse, and high-quality interaction data are expensive to collect in the real world. While simulation has become a promising way for scaling up data collection, the related tasks, including simulation task design, task-aware scene generation, expert demonstration synthesis, and sim-to-real transfer, still demand substantial human effort. We present AnyTask, an automated framework that pairs massively parallel GPU simulation with foundation models to design diverse manipulation tasks and synthesize robot data. We introduce three AnyTask agents for generating expert demonstrations aiming to solve as many tasks as possible: 1) ViPR, a novel task and motion planning agent with VLM-in-the-loop Parallel Refinement; 2) ViPR-Eureka, a reinforcement learning agent with generated dense rewards and LLM-guided contact sampling; 3) ViPR-RL, a hybrid planning and learning approach that jointly produces high-quality demonstrations with only sparse rewards. We train behavior cloning policies on generated data, validate them in simulation, and deploy them directly on real robot hardware. The policies generalize to novel object poses, achieving 44% average success across a suite of real-world pick-and-place, drawer opening, contact-rich pushing, and long-horizon manipulation tasks. Our project website is at https://anytask.rai-inst.com .

  • 14 authors
·
Dec 19, 2025

Align to Misalign: Automatic LLM Jailbreak with Meta-Optimized LLM Judges

Identifying the vulnerabilities of large language models (LLMs) is crucial for improving their safety by addressing inherent weaknesses. Jailbreaks, in which adversaries bypass safeguards with crafted input prompts, play a central role in red-teaming by probing LLMs to elicit unintended or unsafe behaviors. Recent optimization-based jailbreak approaches iteratively refine attack prompts by leveraging LLMs. However, they often rely heavily on either binary attack success rate (ASR) signals, which are sparse, or manually crafted scoring templates, which introduce human bias and uncertainty in the scoring outcomes. To address these limitations, we introduce AMIS (Align to MISalign), a meta-optimization framework that jointly evolves jailbreak prompts and scoring templates through a bi-level structure. In the inner loop, prompts are refined using fine-grained and dense feedback using a fixed scoring template. In the outer loop, the template is optimized using an ASR alignment score, gradually evolving to better reflect true attack outcomes across queries. This co-optimization process yields progressively stronger jailbreak prompts and more calibrated scoring signals. Evaluations on AdvBench and JBB-Behaviors demonstrate that AMIS achieves state-of-the-art performance, including 88.0% ASR on Claude-3.5-Haiku and 100.0% ASR on Claude-4-Sonnet, outperforming existing baselines by substantial margins.

  • 3 authors
·
Nov 3, 2025

Harnessing LLM Agents with Skill Programs

Equipping LLM agents with reusable skills derived from past experience has become a popular and successful approach for tackling complex and long-horizon tasks. However, such lessons are often encoded as textual guidance that remains largely advisory, lacking explicit mechanisms for when and how to intervene in the agent loop. To bridge the gap, we introduce HASP(Harnessing LLM Agents with Skill Programs), a new framework that upgrades skills into executable Program Functions (PFs). Rather than offering passive advice, PFs act as executable guardrails that activate on failure-prone states and modify the next action or inject corrective context. HASP is highly modular: it can be applied at inference time for direct agent-loop intervention, during post-training to provide structured supervision, or for self-improvement by evolving validated, teacher-reviewed PFs. Empirically, HASP drives substantial gains compared to both training-free and training-based methods on web-search, math reasoning, and coding tasks. For example, on web-search reasoning, inference-time PFs alone improve the average performance by 25% compared to (multi-loop) ReAct Agent, while post-training and controlled evolution achieve a 30.4% gain over Search-R1. To provide deeper insights into HASP, our mechanism analysis reveals how PFs trigger and intervene, how skills are internalized, and the requirement for stable skill library evolution.

Reinforcement Learning for Long-Horizon Interactive LLM Agents

Interactive digital agents (IDAs) leverage APIs of stateful digital environments to perform tasks in response to user requests. While IDAs powered by instruction-tuned large language models (LLMs) can react to feedback from interface invocations in multi-step exchanges, they have not been trained in their respective digital environments. Prior methods accomplish less than half of tasks in sophisticated benchmarks such as AppWorld. We present a reinforcement learning (RL) approach that trains IDAs directly in their target environments. We formalize this training as a partially observable Markov decision process and derive LOOP, a data- and memory-efficient variant of proximal policy optimization. LOOP uses no value network and maintains exactly one copy of the underlying LLM in memory, making its implementation straightforward and as memory-efficient as fine-tuning a single LLM. A 32-billion-parameter agent trained with LOOP in the AppWorld environment outperforms the much larger OpenAI o1 agent by 9 percentage points (15% relative). To our knowledge, this is the first reported application of RL to IDAs that interact with a stateful, multi-domain, multi-app environment via direct API calls. Our analysis sheds light on the effectiveness of RL in this area, showing that the agent learns to consult the API documentation, avoid unwarranted assumptions, minimize confabulation, and recover from setbacks.

  • 7 authors
·
Feb 3, 2025

Towards LLM-Powered Verilog RTL Assistant: Self-Verification and Self-Correction

We explore the use of Large Language Models (LLMs) to generate high-quality Register-Transfer Level (RTL) code with minimal human interference. The traditional RTL design workflow requires human experts to manually write high-quality RTL code, which is time-consuming and error-prone. With the help of emerging LLMs, developers can describe their requirements to LLMs which then generate corresponding code in Python, C, Java, and more. Adopting LLMs to generate RTL design in hardware description languages is not trivial, given the complex nature of hardware design and the generated design has to meet the timing and physical constraints. We propose VeriAssist, an LLM-powered programming assistant for Verilog RTL design workflow. VeriAssist takes RTL design descriptions as input and generates high-quality RTL code with corresponding test benches. VeriAssist enables the LLM to self-correct and self-verify the generated code by adopting an automatic prompting system and integrating RTL simulator in the code generation loop. To generate an RTL design, VeriAssist first generates the initial RTL code and corresponding test benches, followed by a self-verification step that walks through the code with test cases to reason the code behavior at different time steps, and finally it self-corrects the code by reading the compilation and simulation results and generating final RTL code that fixes errors in compilation and simulation. This design fully leverages the LLMs' capabilities on multi-turn interaction and chain-of-thought reasoning to improve the quality of the generated code. We evaluate VeriAssist with various benchmark suites and find it significantly improves both syntax and functionality correctness over existing LLM implementations, thus minimizing human intervention and making RTL design more accessible to novice designers.

  • 6 authors
·
May 31, 2024

MixPE: Quantization and Hardware Co-design for Efficient LLM Inference

Transformer-based large language models (LLMs) have achieved remarkable success as model sizes continue to grow, yet their deployment remains challenging due to significant computational and memory demands. Quantization has emerged as a promising solution, and state-of-the-art quantization algorithms for LLMs introduce the need for mixed-precision matrix multiplication (mpGEMM), where lower-precision weights are multiplied with higher-precision activations. Despite its benefits, current hardware accelerators such as GPUs and TPUs lack native support for efficient mpGEMM, leading to inefficient dequantization operations in the main sequential loop. To address this limitation, we introduce MixPE, a specialized mixed-precision processing element designed for efficient low-bit quantization in LLM inference. MixPE leverages two key innovations to minimize dequantization overhead and unlock the full potential of low-bit quantization. First, recognizing that scale and zero point are shared within each quantization group, we propose performing dequantization after per-group mpGEMM, significantly reducing dequantization overhead. Second, instead of relying on conventional multipliers, MixPE utilizes efficient shift\&add operations for multiplication, optimizing both computation and energy efficiency. Our experimental results demonstrate that MixPE surpasses the state-of-the-art quantization accelerators by 2.6times speedup and 1.4times energy reduction.

  • 7 authors
·
Nov 25, 2024

MUA-RL: Multi-turn User-interacting Agent Reinforcement Learning for agentic tool use

With the recent rapid advancement of Agentic Intelligence, agentic tool use in LLMs has become increasingly important. During multi-turn interactions between agents and users, the dynamic, uncertain, and stochastic nature of user demands poses significant challenges to the agent's tool invocation capabilities. Agents are no longer expected to simply call tools to deliver a result; rather, they must iteratively refine their understanding of user needs through communication while simultaneously invoking tools to resolve user queries. Existing reinforcement learning (RL) approaches for tool use lack the integration of genuinely dynamic users during the RL training process. To bridge this gap, we introduce MUA-RL (Multi-turn User-interacting Agent Reinforcement Learning for agentic tool use), a novel reinforcement learning framework that, for the first time in the field of agentic tool use, integrates LLM-simulated users into the reinforcement learning loop. MUA-RL aims to enable autonomous learning of models to communicate with users efficiently and use various tools to solve practical problems in dynamic multi-turn interactions. Evaluations are done on several multi-turn tool-using benchmarks (see Figure 1). Specifically, MUA-RL-32B achieves 67.3 on TAU2 Retail, 45.4 on TAU2 Airline, 28.3 on TAU2 Telecom, 28.4 on BFCL-V3 Multi Turn, and 82.5 on ACEBench Agent -- outperforming or matching the performance of larger open-source models such as DeepSeek-V3-0324 and Qwen3-235B-A22B in non-thinking settings.

  • 9 authors
·
Aug 26, 2025

Memory-Efficient Looped Transformer: Decoupling Compute from Memory in Looped Language Models

Recurrent LLM architectures have emerged as a promising approach for improving reasoning, as they enable multi-step computation in the embedding space without generating intermediate tokens. Models such as Ouro perform reasoning by iteratively updating internal representations while retaining a standard Key-Value (KV) cache across iterations, causing memory consumption to grow linearly with reasoning depth. Consequently, increasing the number of reasoning iterations can lead to prohibitive memory usage, limiting the practical scalability of such architectures. In this work, we propose Memory-Efficient Looped Transformer (MELT), a novel architecture that decouples reasoning depth from memory consumption. Instead of using a standard KV cache per layer and loop, MELT maintains a single KV cache per layer that is shared across reasoning loops. This cache is updated over time via a learnable gating mechanism. To enable stable and efficient training under this architecture, we propose to train MELT using chunk-wise training in a two phase procedure: interpolated transition, followed by attention-aligned distillation, both from the LoopLM starting model to MELT. Empirically, we show that MELT models fine-tuned from pretrained Ouro parameters outperform standard LLMs of comparable size, while maintaining a memory footprint comparable to those models and dramatically smaller than Ouro's. Overall, MELT achieves constant-memory iterative reasoning without sacrificing LoopLM performance, using only a lightweight post-training procedure.

qualcomm Qualcomm
·
May 7 2

SymbioticRAG: Enhancing Document Intelligence Through Human-LLM Symbiotic Collaboration

We present SymbioticRAG, a novel framework that fundamentally reimagines Retrieval-Augmented Generation~(RAG) systems by establishing a bidirectional learning relationship between humans and machines. Our approach addresses two critical challenges in current RAG systems: the inherently human-centered nature of relevance determination and users' progression from "unconscious incompetence" in query formulation. SymbioticRAG introduces a two-tier solution where Level 1 enables direct human curation of retrieved content through interactive source document exploration, while Level 2 aims to build personalized retrieval models based on captured user interactions. We implement Level 1 through three key components: (1)~a comprehensive document processing pipeline with specialized models for layout detection, OCR, and extraction of tables, formulas, and figures; (2)~an extensible retriever module supporting multiple retrieval strategies; and (3)~an interactive interface that facilitates both user engagement and interaction data logging. We experiment Level 2 implementation via a retriever strategy incorporated LLM summarized user intention from user interaction logs. To maintain high-quality data preparation, we develop a human-on-the-loop validation interface that improves pipeline output while advancing research in specialized extraction tasks. Evaluation across three scenarios (literature review, geological exploration, and education) demonstrates significant improvements in retrieval relevance and user satisfaction compared to traditional RAG approaches. To facilitate broader research and further advancement of SymbioticRAG Level 2 implementation, we will make our system openly accessible to the research community.

  • 7 authors
·
May 5, 2025

APIGen-MT: Agentic Pipeline for Multi-Turn Data Generation via Simulated Agent-Human Interplay

Training effective AI agents for multi-turn interactions requires high-quality data that captures realistic human-agent dynamics, yet such data is scarce and expensive to collect manually. We introduce APIGen-MT, a two-phase framework that generates verifiable and diverse multi-turn agent data. In the first phase, our agentic pipeline produces detailed task blueprints with ground-truth actions, leveraging a committee of LLM reviewers and iterative feedback loops. These blueprints are then transformed into complete interaction trajectories through simulated human-agent interplay. We train a family of models -- the xLAM-2-fc-r series with sizes ranging from 1B to 70B parameters. Our models outperform frontier models such as GPT-4o and Claude 3.5 on tau-bench and BFCL benchmarks, with the smaller models surpassing their larger counterparts, particularly in multi-turn settings, while maintaining superior consistency across multiple trials. Comprehensive experiments demonstrate that our verified blueprint-to-details approach yields high-quality training data, enabling the development of more reliable, efficient, and capable agents. We open-source both the synthetic data collected and the trained xLAM-2-fc-r models to advance research in AI agents. Models are available on HuggingFace at https://huggingface.co/collections/Salesforce/xlam-2-67ef5be12949d8dcdae354c4 and project website is https://apigen-mt.github.io

  • 15 authors
·
Apr 4, 2025 4

REAL: Resilience and Adaptation using Large Language Models on Autonomous Aerial Robots

Large Language Models (LLMs) pre-trained on internet-scale datasets have shown impressive capabilities in code understanding, synthesis, and general purpose question-and-answering. Key to their performance is the substantial prior knowledge acquired during training and their ability to reason over extended sequences of symbols, often presented in natural language. In this work, we aim to harness the extensive long-term reasoning, natural language comprehension, and the available prior knowledge of LLMs for increased resilience and adaptation in autonomous mobile robots. We introduce REAL, an approach for REsilience and Adaptation using LLMs. REAL provides a strategy to employ LLMs as a part of the mission planning and control framework of an autonomous robot. The LLM employed by REAL provides (i) a source of prior knowledge to increase resilience for challenging scenarios that the system had not been explicitly designed for; (ii) a way to interpret natural-language and other log/diagnostic information available in the autonomy stack, for mission planning; (iii) a way to adapt the control inputs using minimal user-provided prior knowledge about the dynamics/kinematics of the robot. We integrate REAL in the autonomy stack of a real multirotor, querying onboard an offboard LLM at 0.1-1.0 Hz as part the robot's mission planning and control feedback loops. We demonstrate in real-world experiments the ability of the LLM to reduce the position tracking errors of a multirotor under the presence of (i) errors in the parameters of the controller and (ii) unmodeled dynamics. We also show (iii) decision making to avoid potentially dangerous scenarios (e.g., robot oscillates) that had not been explicitly accounted for in the initial prompt design.

  • 6 authors
·
Nov 2, 2023

iFairy: the First 2-bit Complex LLM with All Parameters in $\{\pm1, \pm i\}$

Quantization-Aware Training (QAT) integrates quantization into the training loop, enabling LLMs to learn robust low-bit representations, and is widely recognized as one of the most promising research directions. All current QAT research focuses on minimizing quantization error on full-precision models, where the full-precision accuracy acts as an upper bound (accuracy ceiling). No existing method has even attempted to surpass this ceiling. To break this ceiling, we propose a new paradigm: raising the ceiling (full-precision model), and then still quantizing it efficiently into 2 bits. We propose Fairypm i, the first 2-bit quantization framework for complex-valued LLMs. Specifically, our method leverages the representational advantages of the complex domain to boost full-precision accuracy. We map weights to the fourth roots of unity {pm1, pm i}, forming a perfectly symmetric and information-theoretically optimal 2-bit representation. Importantly, each quantized weight has either a zero real or imaginary part, enabling multiplication-free inference using only additions and element swaps. Experimental results show that Fairypm i outperforms the ceiling of existing 2-bit quantization approaches in terms of both PPL and downstream tasks, while maintaining strict storage and compute efficiency. This work opens a new direction for building highly accurate and practical LLMs under extremely low-bit constraints.

  • 10 authors
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Aug 7, 2025

Memex(RL): Scaling Long-Horizon LLM Agents via Indexed Experience Memory

Large language model (LLM) agents are fundamentally bottlenecked by finite context windows on long-horizon tasks. As trajectories grow, retaining tool outputs and intermediate reasoning in-context quickly becomes infeasible: the working context becomes prohibitively long, eventually exceeds the context budget, and makes distant evidence harder to use even when it is still present. Existing solutions typically shorten context through truncation or running summaries, but these methods are fundamentally lossy because they compress or discard past evidence itself. We introduce Memex, an indexed experience memory mechanism that instead compresses context without discarding evidence. Memex maintains a compact working context consisting of concise structured summaries and stable indices, while storing full-fidelity underlying interactions in an external experience database under those indices. The agent can then decide when to dereference an index and recover the exact past evidence needed for the current subgoal. We optimize both write and read behaviors with our reinforcement learning framework MemexRL, using reward shaping tailored to indexed memory usage under a context budget, so the agent learns what to summarize, what to archive, how to index it, and when to retrieve it. This yields a substantially less lossy form of long-horizon memory than summary-only approaches. We further provide a theoretical analysis showing the potential of the Memex loop to preserve decision quality with bounded dereferencing while keeping effective in-context computation bounded as history grows. Empirically, on challenging long-horizon tasks, Memex agent trained with MemexRL improves task success while using a significantly smaller working context.

Accenture Accenture
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Mar 4 2

Token Budgets: An Empirical Catalog of 63 LLM-Agent Budget-Overrun Incidents, with an Affine-Typed Rust Mitigation as a Case Study

LLM-agent budget overruns are a documented production failure class: a single retry loop can spend thousands of dollars before an operator notices, and the in-process integrity properties that would prevent it (no aliasing, no double-spend, no use-after-delegation of a cost-bearing value) are enforced, if at all, by ad-hoc wrappers rather than by the type system. Our central contribution is empirical: a catalog of 63 confirmed production incidents from 21 orchestration frameworks (2023-2026), each backed by a quoted GitHub issue and, where reported, a dollar loss, organized into an eight-cluster failure taxonomy (inter-rater Cohen's kappa = 0.837, N = 113), plus 47 supplementary structural entries. As one mitigation evaluated against this taxonomy, we build token-budgets, an 1,180-line Rust crate (no unsafe) that operationalizes affine ownership so that cloning, double-spending, or using a budget after delegating it are compile errors rather than runtime hazards an operator must remember to avoid. The dollar cap is runtime arithmetic under an estimator assumption; the affine layer makes that arithmetic non-bypassable. On single-agent workloads a 4-line Python counter matches the crate at 0/30 overshoot, so the distinguishing value is non-bypassability under operator error in multi-agent delegation: the delegation-fanout race documented in 11 incidents is rejected by the borrow checker at compile time, while the same pattern under asyncio overshoots 30/30 and three disciplined alternatives overshoot 0/30. Across five runtimes, three providers, and a temperature-stratified live-API test (N = 160), the approach reports zero cap violations and zero false refusals, at operational parity with concurrent work. Static over-reservation is 4-6x (2.11x adaptive). Binary-level cap-soundness on the running binary is left open.

  • 1 authors
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Jun 1 2

SQL Query Engine: A Self-Healing LLM Pipeline for Natural Language to PostgreSQL Translation

We present SQL Query Engine, an open-source, self-hosted service that translates natural language questions into validated PostgreSQL queries through a two-stage LLM pipeline. The first stage performs automatic schema introspection and SQL generation; a multi-strategy response parser extracts SQL from any LLM output format (JSON, code blocks, or raw text) without requiring structured output APIs. The second stage executes the query against PostgreSQL and, upon failure or empty results, enters an iterative self-healing loop in which the LLM diagnoses the error using full SQLSTATE codes and PostgreSQL diagnostic messages. Two mechanisms prevent regressions: early-accept returns successful queries immediately without LLM re-evaluation, and best-result tracking preserves the best partial result across retries. Schema context is cached per session in Redis, progress events stream via Redis Pub/Sub and SSE, and an OpenAI-compatible /v1/chat/completions endpoint lets existing tools work without modification. All database connections are read-only at the driver level. We evaluate across five LLM backends on a synthetic benchmark (75 questions, three databases) where the self-healing loop yields up to +9.3pp accuracy gains with zero regressions on the best model (Llama 4 Scout 17B, 57.3%), and on BIRD (437 questions, 11 databases migrated from SQLite to PostgreSQL) where the full pipeline reaches 49.0% execution accuracy (GPT-OSS-120B, +4.6pp). Source code: https://github.com/codeadeel/sqlqueryengine.

  • 1 authors
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Apr 14

World Models for Policy Refinement in StarCraft II

Large Language Models (LLMs) have recently shown strong reasoning and generalization capabilities, motivating their use as decision-making policies in complex environments. StarCraft II (SC2), with its massive state-action space and partial observability, is a challenging testbed. However, existing LLM-based SC2 agents primarily focus on improving the policy itself and overlook integrating a learnable, action-conditioned transition model into the decision loop. To bridge this gap, we propose StarWM, the first world model for SC2 that predicts future observations under partial observability. To facilitate learning SC2's hybrid dynamics, we introduce a structured textual representation that factorizes observations into five semantic modules, and construct SC2-Dynamics-50k, the first instruction-tuning dataset for SC2 dynamics prediction. We further develop a multi-dimensional offline evaluation framework for predicted structured observations. Offline results show StarWM's substantial gains over zero-shot baselines, including nearly 60% improvements in resource prediction accuracy and self-side macro-situation consistency. Finally, we propose StarWM-Agent, a world-model-augmented decision system that integrates StarWM into a Generate--Simulate--Refine decision loop for foresight-driven policy refinement. Online evaluation against SC2's built-in AI demonstrates consistent improvements, yielding win-rate gains of 30%, 15%, and 30% against Hard (LV5), Harder (LV6), and VeryHard (LV7), respectively, alongside improved macro-management stability and tactical risk assessment.

Self-evolving LLM agents with in-distribution Optimization

Large Language Models (LLMs) have recently emerged as powerful controllers for interactive agents in complex environments, yet training them to perform reliable long-horizon decision making remains a fundamental challenge. A key difficulty lies in credit assignment: agents often receive delayed rewards only at the end of episodes. In this paper, we propose Q-Evolve, a self-evolving framework for LLM agents that unifies automatic process-reward labeling and policy learning within a principled in-distribution reinforcement learning paradigm. In each evolving iteration, our method learns an in-distribution critic from a hybrid off-policy dataset that combines expert demonstrations with agent-generated trajectories, stabilizing Bellman backups in sparse-reward settings via a weighted Implicit Q-Learning objective. The learned value function is then used to derive step-wise process rewards through advantage estimation, enabling dense and reliable supervision without environment backtracking or human annotation. Leveraging these signals, we perform behavior-proximal policy optimization that evolves the agent over the data used for process reward labeling, allowing iterative self-improvement without exacerbating distribution shift. We evaluate our method on AlfWorld, WebShop, and ScienceWorld, showing Q-Evolve outperforms strong baselines in sample efficiency, robustness, and overall task performance. Our results demonstrate that stable agent self-evolution is achievable through the co-evolution of process-level supervision and policy, both grounded within a shared in-distribution learning loop.

  • 4 authors
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Jun 4

Rethinking RL for LLM Reasoning: It's Sparse Policy Selection, Not Capability Learning

Reinforcement learning has become the standard for improving reasoning in large language models, yet evidence increasingly suggests that RL does not teach new strategies; it redistributes probability mass over solutions the base model already contains. In this work, we ask: if RL merely steers the model toward paths it already knows, is the RL optimization loop itself necessary? Through token-level analysis across multiple model families and RL algorithms, we find that RL's beneficial footprint is a sparse, predictable correction concentrated at high-entropy decision points where the model is uncertain which branch to take. Only 1--3\% of token positions are affected, the promoted token always lies within the base model's top-5 alternatives, and targeted corrections at those few positions causally recover a large fraction of RL's accuracy gain, while random corrections fail. The base model's own entropy identifies these positions without any RL-trained model, and the entire correction is low-dimensional, representable in a tiny fraction of model parameters. These findings reframe reasoning improvement as sparse policy selection, not capability acquisition. We translate this insight into ReasonMaxxer, a minimal RL-free method that applies contrastive loss only at entropy-gated decision points, using a few hundred base-model rollouts and no online generation. Across three model families, six scales, and six math reasoning benchmarks, ReasonMaxxer matches or exceeds full RL performance while requiring only tens of problems and minutes of single-GPU training, a reduction in training cost of roughly three orders of magnitude.

LEAD: Iterative Data Selection for Efficient LLM Instruction Tuning

Instruction tuning has emerged as a critical paradigm for improving the capabilities and alignment of large language models (LLMs). However, existing iterative model-aware data selection methods incur significant computational overhead, as they rely on repeatedly performing full-dataset model inference to estimate sample utility for subsequent training iterations, creating a fundamental efficiency bottleneck. In this paper, we propose LEAD, an efficient iterative data selection framework that accurately estimates sample utility entirely within the standard training loop, eliminating the need for costly additional model inference. At its core, LEAD introduces Instance-Level Dynamic Uncertainty (IDU), a theoretically grounded utility function combining instantaneous training loss, gradient-based approximation of loss changes, and exponential smoothing of historical loss signals. To further scale efficiently to large datasets, LEAD employs a two-stage, coarse-to-fine selection strategy, adaptively prioritizing informative clusters through a multi-armed bandit mechanism, followed by precise fine-grained selection of high-utility samples using IDU. Extensive experiments across four diverse benchmarks show that LEAD significantly outperforms state-of-the-art methods, improving average model performance by 6.1%-10.8% while using only 2.5% of the training data and reducing overall training time by 5-10x.

  • 7 authors
·
May 11, 2025

AI CFD Scientist: Toward Open-Ended Computational Fluid Dynamics Discovery with Physics-Aware AI Agents

Recent LLM-based agents have closed substantial portions of the scientific discovery loop in software-only machine-learning research, in chemistry, and in biology. Extending the same loop to high-fidelity physical simulators is harder, because solver completion does not imply physical validity and many failure modes appear only in field-level imagery rather than in solver logs. We present AI CFD Scientist, an open-source AI scientist for computational fluid dynamics (CFD) that, to our knowledge, is the first to span literature-grounded ideation, validated execution, vision-based physics verification, source-code modification, and figure-grounded writing within a single inspectable workflow. Three coupled pathways cover parameter sweeps within a fixed solver, case-local C++ library compilation for new physical models, and open-ended hypothesis search against a reference comparator, all running on OpenFOAM through Foam-Agent. At the center of the framework is a vision-language physics-verification gate that inspects rendered flow fields before any result is accepted, rerun, or written into a manuscript. On five tasks under a shared GPT-5.5 backbone, AI CFD Scientist autonomously discovers a Spalart-Allmaras runtime correction that reduces lower-wall Cf RMSE against DNS by 7.89% on the periodic hill at Reh=5600; under matched LLM cost, two strong general AI-scientist baselines (ARIS, DeepScientist) execute partial CFD workflows but lack the domain-specific validity gates needed to convert runs into defensible scientific claims; and a controlled planted-failure ablation shows that the vision-language gate detects 14 of 16 silent failures missed by solver-level checks. Code, prompts, and run artifacts are released at https://github.com/csml-rpi/cfd-scientist.

Agents4PLC: Automating Closed-loop PLC Code Generation and Verification in Industrial Control Systems using LLM-based Agents

In industrial control systems, the generation and verification of Programmable Logic Controller (PLC) code are critical for ensuring operational efficiency and safety. While Large Language Models (LLMs) have made strides in automated code generation, they often fall short in providing correctness guarantees and specialized support for PLC programming. To address these challenges, this paper introduces Agents4PLC, a novel framework that not only automates PLC code generation but also includes code-level verification through an LLM-based multi-agent system. We first establish a comprehensive benchmark for verifiable PLC code generation area, transitioning from natural language requirements to human-written-verified formal specifications and reference PLC code. We further enhance our `agents' specifically for industrial control systems by incorporating Retrieval-Augmented Generation (RAG), advanced prompt engineering techniques, and Chain-of-Thought strategies. Evaluation against the benchmark demonstrates that Agents4PLC significantly outperforms previous methods, achieving superior results across a series of increasingly rigorous metrics. This research not only addresses the critical challenges in PLC programming but also highlights the potential of our framework to generate verifiable code applicable to real-world industrial applications.

  • 8 authors
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Oct 18, 2024

From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle. We organize the projects into two complementary categories: Knowledge Infrastructure, systems that structure, retrieve, synthesize, and validate scientific information; and Action Systems, systems that execute, coordinate, or automate scientific work across computational and experimental environments. The submissions reveal a shift from single-purpose LLM tools toward integrated, multi-agent workflows that combine retrieval, reasoning, tool use, and domain-specific validation. Prominent themes include retrieval-augmented generation as grounding infrastructure, persistent structured knowledge representations, multimodal and multilingual scientific inputs, and early progress toward laboratory-integrated closed-loop systems. Together, these results suggest that LLMs are evolving from general-purpose assistants into composable infrastructure for scientific reasoning and action. This work provides a community snapshot of that transition and a practical taxonomy for understanding emerging LLM-enabled workflows in materials science and chemistry.

  • 353 authors
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May 3

LLM Guided Evolution -- The Automation of Models Advancing Models

In the realm of machine learning, traditional model development and automated approaches like AutoML typically rely on layers of abstraction, such as tree-based or Cartesian genetic programming. Our study introduces "Guided Evolution" (GE), a novel framework that diverges from these methods by utilizing Large Language Models (LLMs) to directly modify code. GE leverages LLMs for a more intelligent, supervised evolutionary process, guiding mutations and crossovers. Our unique "Evolution of Thought" (EoT) technique further enhances GE by enabling LLMs to reflect on and learn from the outcomes of previous mutations. This results in a self-sustaining feedback loop that augments decision-making in model evolution. GE maintains genetic diversity, crucial for evolutionary algorithms, by leveraging LLMs' capability to generate diverse responses from expertly crafted prompts and modulate model temperature. This not only accelerates the evolution process but also injects expert like creativity and insight into the process. Our application of GE in evolving the ExquisiteNetV2 model demonstrates its efficacy: the LLM-driven GE autonomously produced variants with improved accuracy, increasing from 92.52% to 93.34%, without compromising model compactness. This underscores the potential of LLMs to accelerate the traditional model design pipeline, enabling models to autonomously evolve and enhance their own designs.

  • 3 authors
·
Mar 17, 2024

LoopServe: An Adaptive Dual-phase LLM Inference Acceleration System for Multi-Turn Dialogues

Multi-turn dialogues are essential in many real-world applications of large language models, such as chatbots and virtual assistants. As conversation histories become longer, existing large language models face increasing computational and memory challenges, which hinder their ability to provide efficient and responsive interactions. Most current acceleration methods either compress the context or optimize key value caching, but they often rely on fixed or position-based heuristics that do not adapt well to the dynamic and unpredictable patterns found in actual multi-turn conversations. In this paper, we present LoopServe, an adaptive dual-phase inference acceleration framework for large language models in multi-turn dialogues. LoopServe introduces two main innovations. First, it performs online sparsification during the prefilling phase by dynamically selecting the most important parts of the attention matrix for each new input. Second, it uses progressive key value compression during decoding by adaptively maintaining a relevant and efficient cache based on the most recently generated output tokens. We also propose a https://huggingface.co/datasets/TreeAILab/Multi-turn_Long-context_Benchmark_for_LLMs{new benchmark} with eleven multi-turn datasets that reflect realistic query positions and conversational dependencies. Extensive experiments demonstrate that LoopServe consistently achieves superior effectiveness compared to existing baselines and significantly accelerates LLM inference across a wide range of long-context dialogue tasks.

  • 12 authors
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Jul 18, 2025

In-Context Distillation with Self-Consistency Cascades: A Simple, Training-Free Way to Reduce LLM Agent Costs

The world currently has an abundance of ideas for how to use new LLM agents, and developers seek to rapidly prototype and test new agentic designs. However, executing agents at scale using high-capacity LLMs incurs high inference costs. We propose a simple method for reducing LLM agent inference costs without incurring the development friction costs associated with LLM fine-tuning (long training cycles, optimization hyperparameter tweaking loops) or manual prompt engineering (laborious trial and error). Most importantly, we introduce in-context distillation, which adapts the idea of knowledge distillation (training a low cost-student model to mimic a high-cost teacher) to an in-context learning setting. Our approach retrieves relevant teacher demonstrations at each agent step and provides them to the student as in-context examples, enabling the student to imitate teacher behavior on-the-fly. We combine in-context distillation with the established idea of self-consistency cascades to know when the trust the student. This adaptive strategy realizes the cost benefits of model specialization while preserving the productivity of working with frozen models. On the multi-step embodied reasoning benchmark ALFWorld, our method matches teacher-level accuracy at 2.5\times lower cost, reducing per-episode costs from \0.059 to 0.024. The upfront demonstration cost amortizes after just 843 episodes, yielding cumulative savings exceeding \34,900 at deployment scale (1M episodes). On AppWorld, a complex agent benchmark requiring multi-step API workflows, we shift the Pareto frontier by achieving a 2times cost reduction$ at iso-accuracy. By reducing operational costs while maintaining rapid experimentation cycles with frozen models, our approach makes advanced agentic systems economically viable for a broader range of applications.

  • 5 authors
·
Dec 2, 2025

Mechanical Enforcement for LLM Governance:Evidence of Governance-Task Decoupling in Financial Decision Systems

Large language models in regulated financial workflows are governed by natural-language policies that the same model interprets, creating a principal--agent failure: outputs can appear compliant without being compliant. Existing evaluation measures task accuracy but not whether governance constrains behaviour at the decision rationale level -- where regulated decisions must be auditable. We introduce five governance metrics that quantify policy compliance at the rationale level and apply them in a synthetic banking domain to compare text-only governance against mechanical enforcement: four primitives operating outside the model's interpretive loop. Under text-only governance, 27% of deferrals carry no decision-relevant information. Mechanical enforcement reduces this rate by 73%, more than doubles deferral information content, and raises task accuracy from MCC~0.43 to 0.88. The improvement is driven by architectural separation: LLM-generated rationales under mechanical enforcement show comparable CDL to text-only governance -- the gain comes from removing clear-cut decisions from the model's control. A causal ablation confirms that each primitive is individually necessary. Our central finding is a governance-task decoupling: under structural stress, text-only governance degrades on both dimensions simultaneously, whereas mechanical enforcement preserves governance quality even as task performance drops. This implies that governance and task evaluation are distinct axes: accuracy is not a sufficient proxy for governance in regulated AI systems.

  • 2 authors
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May 13

Test vs Mutant: Adversarial LLM Agents for Robust Unit Test Generation

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

  • 6 authors
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Feb 8

130k Lines of Formal Topology in Two Weeks: Simple and Cheap Autoformalization for Everyone?

This is a brief description of a project that has already autoformalized a large portion of the general topology from the Munkres textbook (which has in total 241 pages in 7 chapters and 39 sections). The project has been running since November 21, 2025 and has as of January 4, 2026, produced 160k lines of formalized topology. Most of it (about 130k lines) have been done in two weeks,from December 22 to January 4, for an LLM subscription cost of about \$100. This includes a 3k-line proof of Urysohn's lemma, a 2k-line proof of Urysohn's Metrization theorem, over 10k-line proof of the Tietze extension theorem, and many more (in total over 1.5k lemmas/theorems). The approach is quite simple and cheap: build a long-running feedback loop between an LLM and a reasonably fast proof checker equipped with a core foundational library. The LLM is now instantiated as ChatGPT (mostly 5.2) or Claude Sonnet (4.5) run through the respective Codex or Claude Code command line interfaces. The proof checker is Chad Brown's higher-order set theory system Megalodon, and the core library is Brown's formalization of basic set theory and surreal numbers (including reals, etc). The rest is some prompt engineering and technical choices which we describe here. Based on the fast progress, low cost, virtually unknown ITP/library, and the simple setup available to everyone, we believe that (auto)formalization may become quite easy and ubiquitous in 2026, regardless of which proof assistant is used.

  • 1 authors
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Jan 5

Perovskite-R1: A Domain-Specialized LLM for Intelligent Discovery of Precursor Additives and Experimental Design

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

  • 6 authors
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Jul 22, 2025

Self-Evolving Recommendation System: End-To-End Autonomous Model Optimization With LLM Agents

Optimizing large-scale machine learning systems, such as recommendation models for global video platforms, requires navigating a massive hyperparameter search space and, more critically, designing sophisticated optimizers, architectures, and reward functions to capture nuanced user behaviors. Achieving substantial improvements in these areas is a non-trivial task, traditionally relying on extensive manual iterations to test new hypotheses. We propose a self-evolving system that leverages Large Language Models (LLMs), specifically those from Google's Gemini family, to autonomously generate, train, and deploy high-performing, complex model changes within an end-to-end automated workflow. The self-evolving system is comprised of an Offline Agent (Inner Loop) that performs high-throughput hypothesis generation using proxy metrics, and an Online Agent (Outer Loop) that validates candidates against delayed north star business metrics in live production. Our agents act as specialized Machine Learning Engineers (MLEs): they exhibit deep reasoning capabilities, discovering novel improvements in optimization algorithms and model architecture, and formulating innovative reward functions that target long-term user engagement. The effectiveness of this approach is demonstrated through several successful production launches at YouTube, confirming that autonomous, LLM-driven evolution can surpass traditional engineering workflows in both development velocity and model performance.

  • 5 authors
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Feb 10