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Jiayu Zhou

Publications and source records attributed to Jiayu Zhou.

At least 19 recordsLinked to original sources
arXiv2026

LEGIT: Credentialing Protocol for Trustworthy AI Agent Marketplaces

Agentic marketplaces are emerging where AI agents with varying capabilities autonomously complete specialized tasks for buyers. A major challenge of such marketplaces is that buyers cannot easily determine which agent will perform best on their tasks. Reported benchmark scores may be difficult to verify or compare across tasks, software, and budgets. We introduce LEGIT, a credentialing protocol connecting certification, reputation, and proposed marketplace allocation. Certification binds measured quality and cost per solved task to an agent configuration, task domain, evaluation budget, and evidence through a signed record. Reputation links records of past task outcomes to the same identity, subject to the reliability of the reported feedback. Buyers and agents can verify credential records and inspect optional visual profiles. Evaluations reveal cost differences between agent configurations with similar observed task success, and show that comparisons depend on the evaluation budget. These results support binding performance measurements to the tested configuration and resource limits. A complementary analysis quantifies the deposits and fees required for reputation manipulation under a stated Sybil attack model.

cs.AI↗
arXiv2026

FL-MAESTRO: Multi-Agent LLM Orchestration for Resource-Constrained Federated Learning

In Federated Learning (FL), the communication topology is a runtime variable rather than a fixed design choice, since links and edge devices drop in and out during training. Each round, the server must commit three coupled decisions, namely the communication topology, per-client resource allocation, and the aggregation rule for combining local updates. Recent agentic systems have begun bringing large language models (LLM) into FL, but the existing line of work either operates at setup time or handles a single runtime dimension such as client selection. We propose FL-MAESTRO, a multi-agent orchestrator that makes the joint runtime FL decision directly through three specialist LLM agents, one per decision dimension. A coordinator combines their analyses into a single decision, and a non-LLM feasibility check confirms it before the round executes. Because the orchestrator consumes the server's predicted-failure list, it withholds clients whose updates would never be aggregated, which removes the dominant source of wasted round energy in classical FL on volatile edge networks. Because client state is read as natural-text profiles, the same orchestrator extends to heterogeneous device classes without per-class energy models. On a non-IID CIFAR-10 benchmark, FL-MAESTRO matches the accuracy of the strongest energy-aware baseline while cutting wasted round energy from over a third to near zero. Code is available at https://github.com/denoslab/FL-MAESTRO.

cs.AI↗
arXiv2026

CoEvoSkills: Self-Evolving Agent Skills via Co-Evolutionary Verification

Anthropic proposes the concept of skills for LLM agents to tackle multi-step professional tasks that simple tool invocations cannot address. A tool is a single, self-contained function, whereas a skill is a structured bundle of interdependent multi-file artifacts. Currently, skill generation is not only label-intensive due to manual authoring, but also may suffer from human--machine cognitive misalignment, which can lead to degraded agent performance, as evidenced by evaluations on SkillsBench. Therefore, we aim to enable agents to autonomously generate skills. However, existing self-evolving methods designed for tools cannot be directly applied to skills due to their increased complexity. To address these issues, we propose CoEvoSkills, a self-evolving skills framework that enables agents to autonomously construct complex, multi-file skill packages. Specifically, CoEvoSkills couples a Skill Generator that iteratively refines skills with a Surrogate Verifier that co-evolves to provide informative and actionable feedback without access to ground-truth test content. On SkillsBench, CoEvoSkills outperforms five baselines on both Claude Code and Codex, and generalizes strongly to six additional LLMs. The code is publicly available at https://github.com/Zhang-Henry/CoEvoSkills.

cs.AI↗
arXiv2026

ELICITED: EHR-grounded Longitudinal Interactive Conversations for Information-seeking Triage Evaluation and Decision-making

Emergency-department (ED) triage requires clinicians to rapidly identify patients who need immediate attention, determine who can safely wait, and prioritize limited clinical resources. At presentation, however, information may be limited to a chief complaint and initial vital signs. Clinically important details, including symptom onset and progression, associated symptoms, medical history, and medication use, are often obtained through focused conversation. Effective triage therefore requires clinicians to identify information gaps, ask appropriate follow-up questions, and update their assessment as new evidence becomes available. Most existing ED benchmarks evaluate acuity prediction from a fixed clinical snapshot. Although this formulation measures predictive performance after patient information has been assembled, it does not capture the interactive process through which triage-relevant evidence is elicited and interpreted. Existing medical dialogue datasets support the study of clinical communication, but dialogue statements are not always linked to temporally ordered events in the electronic health record (EHR). We introduce EHR2Dial-Triage, an agentic conversation-generation framework and benchmark grounded in MIMIC-IV-ED. The framework constructs triage conversations under explicit role-based and temporal information boundaries. Each accepted patient disclosure is linked to its supporting EHR event and the first dialogue turn at which it becomes available. EHR2Dial-Triage enables controlled evaluation of information elicitation, evidence use, five-level Emergency Severity Index prediction, and patient-facing communication across models and patient personas. It provides a structured setting for studying conversational triage as a dynamic process of clinical information acquisition, reasoning, and communication.

cs.CL↗
arXiv2026

Towards Stability of Parameter-Free Optimization

Hyperparameter tuning, particularly the selection of an appropriate learning rate in adaptive gradient training methods, remains a challenge. To address this challenge, we propose a novel parameter-free optimizer, \textsc{AdamG} (Adam with the Golden step size), designed to automatically adapt to diverse optimization problems without task-specific learning-rate tuning. The core technique underlying \textsc{AdamG} is our golden step size derived for the AdaGrad-Norm algorithm, which is expected to help AdaGrad-Norm preserve tuning-free convergence and approximate the optimal step size in expectation across diverse optimization scenarios. To better evaluate tuning-free performance, we propose a novel evaluation criterion, \textit{reliability}, to comprehensively assess the efficacy of parameter-free optimizers in addition to classical performance criteria. Empirical results demonstrate that \textsc{AdamG} outperforms other parameter-free baselines and consistently performs on par with Adam using a manually tuned learning rate across various optimization tasks.

cs.LG↗
arXiv2026

Dysco: Dynamic Subspace Boosting to Mitigate LoRA Interference in Federated Learning

Federated fine-tuning of large pre-trained models increasingly relies on Low-Rank Adaptation (LoRA) to reduce communication and computation, but heterogeneous clients can make adapter aggregation unstable. We identify the data-parameter interference as a geometric source of this instability. This interference is controlled by the alignment between LoRA update subspaces and client activations, suggesting that federated LoRA aggregation should be viewed not only as parameter averaging but also as subspace allocation. We propose Dynamic Subspace Boosting (Dysco), a plug-in method that allocates client-specific LoRA subspaces in a federated and dynamic manner. In each round, clients compute activation-insensitive subspaces from local representations and transmit only the resulting bases; the server then constructs client-specific merged subspaces through a closed-form solution that maximizes compatibility with other clients' insensitive directions. To handle representation drift, Dysco performs multi-round subspace boosting to preserve past update directions while adapting to future representations. We provide a convergence analysis that embeds the data-parameter interference as an aggregation-error term in a standard federated optimization bound, and prove that Dysco's server-fixed merged subspaces yield a tighter upper bound on this error. Experiments on controlled synthetic federated tasks and on MIMIC-IV clinical-note classification with Llama-3.2-1B show that Dysco substantially reduces interference, reduces the final-round synthetic training loss by up to 9 times relative to baselines under the orthogonal-subspace partition the theory identifies, improves all five tested FL algorithms by up to 4.3% on MIMIC, outperforms recent federated LoRA methods, and adds only 0.9% wall-clock overhead. Our code is available at https://github.com/illidanlab/Dysco.

cs.LG↗
arXiv2026

Unraveling LoRA Interference: Orthogonal Subspaces for Robust Model Merging

Fine-tuning large language models (LMs) for individual tasks yields strong performance but is expensive for deployment and storage. Recent works explore model merging to combine multiple task-specific models into a single multi-task model without additional training. However, existing merging methods often fail for models fine-tuned with low-rank adaptation (LoRA), due to significant performance degradation. In this paper, we show that this issue arises from a previously overlooked interplay between model parameters and data distributions. We propose Orthogonal Subspaces for Robust model Merging (OSRM) to constrain the LoRA subspace *prior* to fine-tuning, ensuring that updates relevant to one task do not adversely shift outputs for others. Our approach can seamlessly integrate with most existing merging algorithms, reducing the unintended interference among tasks. Extensive experiments on eight datasets, tested with three widely used LMs and two large LMs, demonstrate that our method not only boosts merging performance but also preserves single-task accuracy. Furthermore, our approach exhibits greater robustness to the hyperparameters of merging. These results highlight the importance of data-parameter interaction in model merging and offer a plug-and-play solution for merging LoRA models.

cs.CL↗
arXiv2026

Molecular Lead Optimization via Agentic Tool Planning

Drug discovery is a lengthy and resource-intensive process composed of multiple stages. Among these stages, lead optimization plays a critical role in transforming early hit compounds into viable drug candidates. This stage requires improving ADMET-related properties through subtle structural refinement while preserving key molecular substructures responsible for binding affinity to disease targets. Recent advances in artificial intelligence have shown promise in accelerating various aspects of drug discovery; however, most existing approaches to lead optimization rely on one-step molecular optimization, which fail to account for the long-term consequences of sequential design decisions. To address this limitation, we propose TRACE, a trajectory-aware, LLM-reasoning agent for molecular lead optimization that formulates tool selection as a sequential decision-making problem over action trajectories. Given a lead molecule and an optimization objective, TRACE makes trajectory-aware decisions over molecular optimization tools, enabling forward-looking refinement under structural constraints. Experiments on multiple ADMET optimization tasks show that our agent achieves higher optimization success, larger property improvements, and higher validity, while preserving molecular similarity compared to baseline models.

cs.LG↗
arXiv2026

Language-Induced Priors for Domain Adaptation

Domain adaptation faces a fundamental paradox in the cold-start regime. When target data is scarce, statistical methods fail to distinguish relevant source domains from irrelevant ones, which often leads to negative transfer. In this paper, we address this challenge by leveraging expert textual descriptions of the target domain, a resource that is often available but overlooked. We propose a probabilistic framework that translates these semantic descriptions into a choice model, namely a Language-Induced Prior (LIP), that learns the preferences from a pretrained Large Language Model (LLM). The LIP is then integrated into an Expectation-Maximization algorithm to identify source relevance. Methodologically, this framework is compatible with any parametric model where a likelihood is available. It allows the LIP to guide the selection of sources when target signals are weak, while gradually refining these choices as samples accumulate. Theoretically, we prove that the estimator roughly matches an oracle cold-start MSE under a correct prior, while remaining asymptotically consistent regardless of the quality of the LIP. Empirically, we validated the framework on a descriptive (Gaussian estimation), a predictive (C-MAPSS dataset), and a prescriptive task (MuJoCo hopper).

cs.LG↗
arXiv2026

Structural Rationale Distillation via Reasoning Space Compression

When distilling reasoning from large language models (LLMs) into smaller ones, teacher rationales for similar problems often vary wildly in structure and strategy. Like a chef who makes the same dish differently each time, this inconsistency burdens the student with noisy supervision that is hard to internalize. We propose Distillation through Reasoning Path Compression (D-RPC), which constrains the teacher to follow a compact, dynamically maintained bank of reusable high-level reasoning paths. For each training question, D-RPC retrieves the most relevant path and conditions the teacher to follow it, producing rationales that are consistent across similar problems yet diverse enough to cover different problem types. A PAC-Bayes analysis formalizes the resulting trade-off between bank size and coverage: smaller banks reduce supervision entropy but risk coverage gaps, and the generalization bound identifies an optimal intermediate size confirmed by our ablations. Across five math and commonsense reasoning benchmarks with two student models, D-RPC consistently outperforms chain-of-thought distillation, freeform rationale generation, direct distillation, and structured-supervision baselines, while using fewer tokens than template-heavy alternatives.

cs.CL↗
arXiv2026

Catalyzing Informed Residential Energy Retrofit Decisions via Domain-Specific LLM

Residential energy retrofit initiation is often stalled by an expertise gap, where homeowners lack the technical literacy required for structured building energy assessments and are thereby trapped in low-information environments with fragmented sources. To bridge this gap, this study reports a domain-specific large language model (LLM) designed to catalyze informed decision-making based solely on homeowner-accessible, natural-language descriptions, e.g., building age, size, and location. The model is created using the parameter-efficient low-rank adaption (LoRA) fine-tuning approach on a massive corpus grounded in physics-based energy simulations and techno-economic calculations from 536,416 U.S. residential building prototypes. Nine major retrofit categories are evaluated, including envelope upgrades, HVAC systems, and renewable energy installations. Validations against physics-grounded benchmarks show that the LLM consistently identifies high-quality retrofit options, achieving top-3 hit rates of 98.9% for maximum CO2 reduction and 93.3% for the shortest discounted payback year. Moreover, the model exhibits strong robustness under incomplete input conditions, maintaining stable performance even when basic dwelling descriptions are only 60% partially specified. By significantly lowering the information activation energy for non-expert users while maintaining the scientific rigor, this physics-based AI model offers a scalable pathway for parallelized, user-centered decision making, accelerating cumulative energy savings and emission reductions across community and national scales.

cs.CY↗
arXiv2026

VQKV: High-Fidelity and High-Ratio Cache Compression via Vector-Quantization

The growing context length of Large Language Models (LLMs) enlarges the Key-Value (KV) cache, limiting deployment in resource-limited environments. Prior training-free approaches for KV cache compression typically rely on low-rank approximation or scalar quantization, which fail to simultaneously achieve high compression ratios and high reconstruction fidelity. We propose VQKV, a novel, training-free method introducing vector quantization (VQ) to obtain highly compressed KV representations while preserving high model fidelity, allowing for the representation of thousands of floating-point values with just a few integer indices. As a result, VQKV achieves an 82.8\% compression ratio on LLaMA3.1-8B while retaining 98.6\% of the baseline performance on LongBench and enabling 4.3x longer generation length on the same memory footprint.

cs.CL↗
arXiv2026

One Size Does Not Fit All: Token-Wise Adaptive Compression for KV Cache

Despite the remarkable progress of Large Language Models (LLMs), the escalating memory footprint of the Key-Value (KV) cache remains a critical bottleneck for efficient inference. While dimensionality reduction offers a promising compression avenue, existing approaches typically either necessitate prohibitively expensive pre-training from scratch or suffer from severe performance deterioration under high compression regimes. In this work, we propose DynaKV, a novel post-training framework for low-rank KV cache compression. To the best of our knowledge, DynaKV is the first method to dynamically allocate compression rates to individual tokens according to their semantic meaning, which allows it to achieve better fidelity at aggressive compression ratios. Extensive experiments demonstrate that our method consistently outperforms existing state-of-the-art compression techniques, achieving significant memory reduction while maintaining competitive generation quality. Furthermore, our approach is orthogonal to sequence-level pruning methods. When integrated with SnapKV, DynaKV retains only 6% of the KV cache while maintaining 94% of the baseline performance on the LongBench benchmark.

cs.CL↗
arXiv2025

AI4X Roadmap: Artificial Intelligence for the advancement of scientific pursuit and its future directions

Artificial intelligence and machine learning are reshaping how we approach scientific discovery, not by replacing established methods but by extending what researchers can probe, predict, and design. In this roadmap we provide a forward-looking view of AI-enabled science across biology, chemistry, climate science, mathematics, materials science, physics, self-driving laboratories and unconventional computing. Several shared themes emerge: the need for diverse and trustworthy data, transferable electronic-structure and interatomic models, AI systems integrated into end-to-end scientific workflows that connect simulations to experiments and generative systems grounded in synthesisability rather than purely idealised phases. Across domains, we highlight how large foundation models, active learning and self-driving laboratories can close loops between prediction and validation while maintaining reproducibility and physical interpretability. Taken together, these perspectives outline where AI-enabled science stands today, identify bottlenecks in data, methods and infrastructure, and chart concrete directions for building AI systems that are not only more powerful but also more transparent and capable of accelerating discovery in complex real-world environments.

physics.soc-ph↗
arXiv2025

Chain-of-Generation: Progressive Latent Diffusion for Text-Guided Molecular Design

Text-conditioned molecular generation aims to translate natural-language descriptions into chemical structures, enabling scientists to specify functional groups, scaffolds, and physicochemical constraints without handcrafted rules. Diffusion-based models, particularly latent diffusion models (LDMs), have recently shown promise by performing stochastic search in a continuous latent space that compactly captures molecular semantics. Yet existing methods rely on one-shot conditioning, where the entire prompt is encoded once and applied throughout diffusion, making it hard to satisfy all the requirements in the prompt. We discuss three outstanding challenges of one-shot conditioning generation, including the poor interpretability of the generated components, the failure to generate all substructures, and the overambition in considering all requirements simultaneously. We then propose three principles to address those challenges, motivated by which we propose Chain-of-Generation (CoG), a training-free multi-stage latent diffusion framework. CoG decomposes each prompt into curriculum-ordered semantic segments and progressively incorporates them as intermediate goals, guiding the denoising trajectory toward molecules that satisfy increasingly rich linguistic constraints. To reinforce semantic guidance, we further introduce a post-alignment learning phase that strengthens the correspondence between textual and molecular latent spaces. Extensive experiments on benchmark and real-world tasks demonstrate that CoG yields higher semantic alignment, diversity, and controllability than one-shot baselines, producing molecules that more faithfully reflect complex, compositional prompts while offering transparent insight into the generation process.

cs.LG↗
arXiv2025

Gentle Manipulation Policy Learning via Demonstrations from VLM Planned Atomic Skills

Autonomous execution of long-horizon, contact-rich manipulation tasks traditionally requires extensive real-world data and expert engineering, posing significant cost and scalability challenges. This paper proposes a novel framework integrating hierarchical semantic decomposition, reinforcement learning (RL), visual language models (VLMs), and knowledge distillation to overcome these limitations. Complex tasks are decomposed into atomic skills, with RL-trained policies for each primitive exclusively in simulation. Crucially, our RL formulation incorporates explicit force constraints to prevent object damage during delicate interactions. VLMs perform high-level task decomposition and skill planning, generating diverse expert demonstrations. These are distilled into a unified policy via Visual-Tactile Diffusion Policy for end-to-end execution. We conduct comprehensive ablation studies exploring different VLM-based task planners to identify optimal demonstration generation pipelines, and systematically compare imitation learning algorithms for skill distillation. Extensive simulation experiments and physical deployment validate that our approach achieves policy learning for long-horizon manipulation without costly human demonstrations, while the VLM-guided atomic skill framework enables scalable generalization to diverse tasks.

cs.RO↗
arXiv2025

Bitcoin Cross-Chain Bridge: A Taxonomy and Its Promise in Artificial Intelligence of Things

Bitcoin's limited scripting capabilities and lack of native interoperability mechanisms have constrained its integration into the broader blockchain ecosystem, especially decentralized finance (DeFi) and multi-chain applications. This paper presents a comprehensive taxonomy of Bitcoin cross-chain bridge protocols, systematically analyzing their trust assumptions, performance characteristics, and applicability to the Artificial Intelligence of Things (AIoT) scenarios. We categorize bridge designs into three main types: naive token swapping, pegged-asset bridges, and arbitrary-message bridges. Each category is evaluated across key metrics such as trust model, latency, capital efficiency, and DeFi composability. Emerging innovations like BitVM and recursive sidechains are highlighted for their potential to enable secure, scalable, and programmable Bitcoin interoperability. Furthermore, we explore practical use cases of cross-chain bridges in AIoT applications, including decentralized energy trading, healthcare data integration, and supply chain automation. This taxonomy provides a foundational framework for researchers and practitioners seeking to design secure and efficient cross-chain infrastructures in AIoT systems.

cs.CR↗
arXiv2025

Owen Sampling Accelerates Contribution Estimation in Federated Learning

Federated Learning (FL) aggregates information from multiple clients to train a shared global model without exposing raw data. Accurately estimating each client's contribution is essential not just for fair rewards, but for selecting the most useful clients so the global model converges faster. The Shapley value is a principled choice, yet exact computation scales exponentially with the number of clients, making it infeasible for large federations. We propose FedOwen, an efficient framework that uses Owen sampling to approximate Shapley values under the same total evaluation budget as existing methods while keeping the approximation error small. In addition, FedOwen uses an adaptive client selection strategy that balances exploiting high-value clients with exploring under-sampled ones, reducing bias and uncovering rare but informative data. Under a fixed valuation cost, FedOwen achieves up to 23 percent higher final accuracy within the same number of communication rounds compared to state-of-the-art baselines on non-IID benchmarks.

cs.LG↗