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Zhenheng Tang

Publications and source records attributed to Zhenheng Tang.

At least 19 recordsLinked to original sources

Agent-MD: Selective LLM Intervention with Event-Driven Escalation for Stateful GCMC--MD Campaigns

Long-running molecular simulation campaigns require repeated continuation from saved states, provenance-aware progression, adaptive assessment, and occasional interpretation of workflow conditions that cannot be resolved safely by fixed rules. Here, we present Agent-MD, a framework that places large language model (LLM) reasoning selectively at campaign construction and event-triggered review, while routine simulation, analysis, continuation, archiving, and state progression are handled by a persistent rule-based campaign agent using approved policies and explicit state records. Agent-MD was demonstrated in a grand canonical Monte Carlo-molecular dynamics (GCMC-MD) water-vapor desorption campaign comprising five montmorillonite systems and three sequential relative-humidity states (RH = 0.9-0.3-0.1). Across 15 system-RH states, the workflow completed 120 segmented simulation cycles with state-specific sampling lengths and provenance-aware restart inheritance. Routine production required no live reasoning-agent invocation, while one state reached a review boundary; two preserved incidents were subsequently evaluated through blinded reasoning-agent replay, which identified the underlying workflow problems and recommended appropriate follow-up actions. The simulations also revealed distinct composition-dependent low-RH responses, with Ca-bearing montmorillonite retaining more interlayer water and maintaining a larger basal spacing than the Na- and K-bearing systems, while the highest-charge Na system retained more residual water under dry conditions. These results demonstrate that long-running scientific workflows need not place every operation inside an LLM reasoning loop: selective reasoning can instead be combined with deterministic execution, structured evidence, and validated control handoffs to provide reproducible and auditable agent-assisted molecular simulation.

cs.AI

SNI-GNN: SmartNIC-Assisted Full-Graph GNN Training with In-Network Embedding Prediction

Full-graph GNN training delivers high accuracy but scales poorly on multi-server clusters due to heavy, irregular inter-node embedding exchanges. We present SNI-GNN, a SmartNIC-assisted full-graph training system that reduces communication while preserving accuracy by predicting remote embeddings in-network. SNI-GNN deploys a lightweight linear-trend predictor on SmartNICs to refine cached historical embeddings, coupled with an importance-based boundary-node sampling policy and an asynchronous DPU--GPU data pipeline with intermediate-result reuse. We provide error and convergence bounds showing that predictor bias remains controlled under bounded second-order dynamics and yields standard non-convex convergence with inexact gradients. Implemented on NVIDIA BlueField-3, SNI-GNN integrates with state-of-the-art full-graph systems, cuts communication by 21--45\%, achieves 1.3--3.6$\times$ end-to-end speedups over BNS-GCN and up to 1.29$\times$ over baseline SANCUS, with accuracy loss $\leq 0.01$, and scales efficiently to 16 GPUs on graphs with up to tens of millions of edges. These results indicate SmartNIC-based in-network prediction is a practical complement to partitioning and compression techniques for communication-efficient full-graph GNN training at scale.

cs.LG

DRNOISE: Benchmarking Deep Research Agents in Misleading Evidence Environments

Deep research agents increasingly operate over the open web, where relevant records coexist with redundant summaries, outdated reports, and misleading documents. Existing evaluations offer limited insight into whether agents preserve sound evidential standards when an ordinary-looking false document is deliberately seeded into a searchable environment and offers a direct shortcut to a conflicting answer. We introduce DRNOISE, a 100-task benchmark for answer recovery under misleading evidence. Each task has a unique gold answer supported by two corroborating indirect record chains; the paired noisy condition adds one plausible document that states a conflicting answer directly. The benchmark spans ten families of evidence operations. Across agents with strong clean-task performance, this single intervention causes 66-88 percentage-point accuracy drops. Trace analyses identify verification inertia as the dominant failure mode: agents often retrieve truthful records but stop before completing and reconciling the evidence chain, instead deferring to the answer-like document. Generic verification prompts reduce but do not close this gap. The setting is especially relevant to open-web deployment, where plausible falsehoods arrive through ordinary-looking pages rather than explicit attacks. Reliable deep research therefore requires more than retrieval and citation; it requires active reconciliation of direct claims with record-level evidence.

cs.LG

CoT-Core: Accelerating LLM Evaluation via CoT-Aware Coreset Selection

Evaluating Large Language Models (LLMs) incurs prohibitive computational overhead during continuous development processes. While coreset selection accelerates evaluation, existing methods either suffer from a severe ``cold start'' bottleneck requiring massive historical logs (e.g., Item Response Theory) or exhibit a surface lexical bias that misses the underlying reasoning manifold of tasks. We propose CoT-Core, a novel training-free core question selection framework. Recognizing that lexically disparate questions can share equivalent underlying logic, CoT-Core prompts LLMs to unroll zero-shot Chain-of-Thought (CoT) reasoning trajectories. Projecting these paths into a latent space effectively clusters questions by intrinsic logical equivalence rather than superficial text similarity. Extensive experiments on GSM8K, MMLU, MMLU-Pro, and GPQA demonstrate that CoT-Core drastically reduces evaluation costs while maintaining high-fidelity score estimation, and delineate the boundary conditions of reasoning-aware pruning, revealing that its efficacy is intrinsically gated by task complexity.

cs.AI

Chain-of-Models: Cross-Model Auditing for Bias-Robust LLM Judges

LLMs increasingly serve as automated judges, but their judgments remain vulnerable to cognitive biases. Existing mitigations mostly rely on prompt-driven debiasing, which is brittle across bias types, or human evaluation, which does not scale. We study \emph{Chain-of-Models} (CoM), an automated audit pipeline in which a second model inspects the first model's reasoning trace before producing the final judgment. The key design question is whether the auditor should be the same model, a same-family model, or a different-family model. Across 9 models from 6 families, 4 cognitive biases, and 4 factual datasets, we find that auditor identity matters in two ways. First, standalone bias resistance does not predict audit effectiveness: Kimi-K2.5 is the strongest standalone model on several biases, yet is a weak auditor for Qwen2.5-72B's biased traces. Second, the best auditor is bias-specific: GPT-4o is strongest on bandwagon, authority, and distraction, while GLM-5 is strongest on sycophancy. We operationalize these findings with a per-bias auditor selection rule that, given the bias type, scores candidates along functional diversity, per-bias standalone resistance, and calibrated audit effectiveness. Under a calibration/test split, the selector reaches the highest accuracy across the four biased slices ($0.884$ vs.\ $0.824$ for the strongest single fixed auditor and $0.805$ for the no-audit baseline). We release data, configurations, and an LLM-agent skill at https://anonymous.4open.science/r/chain-of-models-B585 .

cs.CL

VCG-Bench: Towards A Unified Visual-Centric Benchmark for Structured Generation and Editing

Despite the rapid advancements in Vision-Language Models (VLMs), a critical gap remains in their ability to handle structured, controllable diagrammatic tasks essential for professional workflows. Existing methods predominantly rely on pixel-based synthesis, which operates in probabilistic pixel spaces and is inherently limited in editability and fidelity. Instead, we propose a new Diagram-as-Code paradigm with symbolic logic that leverages mxGraph Extensible Markup Language (XML) for precise diagram generation and editing. We present VCG-Bench, a unified benchmark for visual-centric \texttt{mxGraph} tasks. VCG-Bench comprises: (1) a taxonomized dataset of 1,449 diverse diagrams spanning 6 domains and 15 sub-domains, (2) a paradigm definition that integrates Generation (Vision-to-Code) and Editability (Code-to-Code), (3) a Tailored Evaluation Protocol employing multi-dimensional metrics such as \texttt{mxGraph} Execution Success Rate, Style Consistency Score (SCS), etc. Experimental results highlight the challenges faced by current State-of-the-Art (SOTA) VLMs in structured fidelity and instruction compliance, reflecting their vision and reasoning capabilities.

cs.CL

Position: LLM Inference Should Be Evaluated as Energy-to-Token Production

LLM inference is still evaluated mainly as a model or software problem: accuracy, latency, throughput, and hardware utilization. This is incomplete. At deployment scale, the relevant output is a quality-conditioned token produced under joint constraints from effective compute, delivered data-center power, cooling capacity, PUE, and utilization. We argue that the ML community should treat inference as \emph{energy-to-token production}. We formalize this view with a dimensionally consistent Token Production Function in which token rate is bounded by both compute-per-token and energy-per-token ceilings. Listed API prices vary by over an order of magnitude across providers, but we use price dispersion only as directional motivation, not as causal evidence of marginal cost. The core physical question is instead: under fixed quality and service targets, when does the binding constraint move from theoretical peak compute toward delivered power, cooling, and operational efficiency? Under this framing, system optimizations -- latent KV-cache compression, sparse or heavily compressed attention, quantization, routing, and difficulty-adaptive reasoning -- are not merely local engineering tricks. They are energy-to-token levers because they reduce FLOPs/token, joules/token, memory traffic, or utilization losses under fixed $(q^{*},s^{*})$. We therefore call for inference papers and benchmarks to report Joules/token, active binding constraint, PUE-adjusted delivered power, and utilization-adjusted token output alongside accuracy and latency.

cs.CE

EpochX: Building the Infrastructure for an Emergent Agent Civilization

General-purpose technologies reshape economies less by improving individual tools than by enabling new ways to organize production and coordination. We believe AI agents are approaching a similar inflection point: as foundation models make broad task execution and tool use increasingly accessible, the binding constraint shifts from raw capability to how work is delegated, verified, and rewarded at scale. We introduce EpochX, a credits-native marketplace infrastructure for human-agent production networks. EpochX treats humans and agents as peer participants who can post tasks or claim them. Claimed tasks can be decomposed into subtasks and executed through an explicit delivery workflow with verification and acceptance. Crucially, EpochX is designed so that each completed transaction can produce reusable ecosystem assets, including skills, workflows, execution traces, and distilled experience. These assets are stored with explicit dependency structure, enabling retrieval, composition, and cumulative improvement over time. EpochX also introduces a native credit mechanism to make participation economically viable under real compute costs. Credits lock task bounties, budget delegation, settle rewards upon acceptance, and compensate creators when verified assets are reused. By formalizing the end-to-end transaction model together with its asset and incentive layers, EpochX reframes agentic AI as an organizational design problem: building infrastructures where verifiable work leaves persistent, reusable artifacts, and where value flows support durable human-agent collaboration.

cs.AI

Is Your LLM-as-a-Recommender Agent Trustable? LLMs' Recommendation is Easily Hacked by Biases (Preferences)

Current Large Language Models (LLMs) are gradually exploited in practically valuable agentic workflows such as Deep Research, E-commerce recommendation, and job recruitment. In these applications, LLMs need to select some optimal solutions from massive candidates, which we term as \textit{LLM-as-a-Recommender} paradigm. However, the reliability of using LLM agents for recommendations is underexplored. In this work, we introduce a \textbf{Bias} \textbf{Rec}ommendation \textbf{Bench}mark (\textbf{BiasRecBench}) to highlight the critical vulnerability of such agents to biases in high-value real-world tasks. The benchmark includes three practical domains: paper review, e-commerce, and job recruitment. We construct a \textsc{Bias Synthesis Pipeline with Calibrated Quality Margins} that 1) synthesizes evaluation data by controlling the quality gap between optimal and sub-optimal options to provide a calibrated testbed to elicit the vulnerability to biases; 2) injects contextual biases that are logical and suitable for option contexts. Extensive experiments on both SOTA (Gemini-{2.5,3}-pro, GPT-4o, DeepSeek-R1) and small-scale LLMs reveal that agents frequently succumb to injected biases despite having sufficient reasoning capabilities to identify the ground truth. These findings expose a significant reliability bottleneck in current agentic workflows, calling for specialized alignment strategies for LLM-as-a-Recommender. The complete code and evaluation datasets will be made publicly available shortly.

cs.CY

Are Dilemmas and Conflicts in LLM Alignment Solvable? A View from Priority Graph

As Large Language Models (LLMs) become more powerful and autonomous, they increasingly face conflicts and dilemmas in many scenarios. We first summarize and taxonomize these diverse conflicts. Then, we model the LLM's preferences to make different choices as a priority graph, where instructions and values are nodes, and the edges represent context-specific priorities determined by the model's output distribution. This graph reveals that a unified stable LLM alignment is very challenging, because the graph is neither static nor necessarily consistent in different contexts. Besides, it also reveals a potential vulnerability: priority hacking, where adversaries can craft deceptive contexts to manipulate the graph and bypass safety alignments. To counter this, we propose a runtime verification mechanism, enabling LLMs to query external sources to ground their context and resist manipulation. While this approach enhances robustness, we also acknowledge that many ethical and value dilemmas are philosophically irreducible, posing a long-term, open challenge for the future of AI alignment.

cs.AI

Rethinking Deep Research from the Perspective of Web Content Distribution Matching

Despite the integration of search tools, Deep Search Agents often suffer from a misalignment between reasoning-driven queries and the underlying web indexing structures. Existing frameworks treat the search engine as a static utility, leading to queries that are either too coarse or too granular to retrieve precise evidence. We propose WeDas, a Web Content Distribution Aware framework that incorporates search-space structural characteristics into the agent's observation space. Central to our method is the Query-Result Alignment Score, a metric quantifying the compatibility between agent intent and retrieval outcomes. To overcome the intractability of indexing the dynamic web, we introduce a few-shot probing mechanism that iteratively estimates this score via limited query accesses, allowing the agent to dynamically recalibrate sub-goals based on the local content landscape. As a plug-and-play module, WeDas consistently improves sub-goal completion and accuracy across four benchmarks, effectively bridging the gap between high-level reasoning and low-level retrieval.

cs.LG

OmniReview: A Large-scale Benchmark and LLM-enhanced Framework for Realistic Reviewer Recommendation

Academic peer review remains the cornerstone of scholarly validation, yet the field faces some challenges in data and methods. From the data perspective, existing research is hindered by the scarcity of large-scale, verified benchmarks and oversimplified evaluation metrics that fail to reflect real-world editorial workflows. To bridge this gap, we present OmniReview, a comprehensive dataset constructed by integrating multi-source academic platforms encompassing comprehensive scholarly profiles through the disambiguation pipeline, yielding 202, 756 verified review records. Based on this data, we introduce a three-tier hierarchical evaluaion framework to assess recommendations from recall to precise expert identification. From the method perspective, existing embedding-based approaches suffer from the information bottleneck of semantic compression and limited interpretability. To resolve these method limitations, we propose Profiling Scholars with Multi-gate Mixture-of-Experts (Pro-MMoE), a novel framework that synergizes Large Language Models (LLMs) with Multi-task Learning. Specifically, it utilizes LLM-generated semantic profiles to preserve fine-grained expertise nuances and interpretability, while employing a Task-Adaptive MMoE architecture to dynamically balance conflicting evaluation goals. Comprehensive experiments demonstrate that Pro-MMoE achieves state-of-the-art performance across six of seven metrics, establishing a new benchmark for realistic reviewer recommendation.

cs.IR

Dissecting Outlier Dynamics in LLM NVFP4 Pretraining

Training large language models using 4-bit arithmetic enhances throughput and memory efficiency. Yet, the limited dynamic range of FP4 increases sensitivity to outliers. While NVFP4 mitigates quantization error via hierarchical microscaling, a persistent loss gap remains compared to BF16. This study conducts a longitudinal analysis of outlier dynamics across architecture during NVFP4 pretraining, focusing on where they localize, why they occur, and how they evolve temporally. We find that, compared with Softmax Attention (SA), Linear Attention (LA) reduces per-tensor heavy tails but still exhibits persistent block-level spikes under block quantization. Our analysis attributes outliers to specific architectural components: Softmax in SA, gating in LA, and SwiGLU in FFN, with "post-QK" operations exhibiting higher sensitivity to quantization. Notably, outliers evolve from transient spikes early in training to a small set of persistent hot channels (i.e., channels with persistently large magnitudes) in later stages. Based on these findings, we introduce Hot-Channel Patch (HCP), an online compensation mechanism that identifies hot channels and reinjects residuals using hardware-efficient kernels. We then develop CHON, an NVFP4 training recipe integrating HCP with post-QK operation protection. On GLA-1.3B model trained for 60B tokens, CHON reduces the loss gap to BF16 from 0.94% to 0.58% while maintaining downstream accuracy.

cs.LG

On the Spectral Flattening of Quantized Embeddings

Training Large Language Models (LLMs) at ultra-low precision is critically impeded by instability rooted in the conflict between discrete quantization constraints and the intrinsic heavy-tailed spectral nature of linguistic data. By formalizing the connection between Zipfian statistics and random matrix theory, we prove that the power-law decay in the singular value spectra of embeddings is a fundamental requisite for semantic encoding. We derive theoretical bounds showing that uniform quantization introduces a noise floor that disproportionately truncates this spectral tail, which induces spectral flattening and a strictly provable increase in the stable rank of representations. Empirical validation across diverse architectures including GPT-2 and TinyLlama corroborates that this geometric degradation precipitates representational collapse. This work not only quantifies the spectral sensitivity of LLMs but also establishes spectral fidelity as a necessary condition for stable low-bit optimization.

cs.LG

EvoFSM: Controllable Self-Evolution for Deep Research with Finite State Machines

While LLM-based agents have shown promise for deep research, most existing approaches rely on fixed workflows that struggle to adapt to real-world, open-ended queries. Recent work therefore explores self-evolution by allowing agents to rewrite their own code or prompts to improve problem-solving ability, but unconstrained optimization often triggers instability, hallucinations, and instruction drift. We propose EvoFSM, a structured self-evolving framework that achieves both adaptability and control by evolving an explicit Finite State Machine (FSM) instead of relying on free-form rewriting. EvoFSM decouples the optimization space into macroscopic Flow (state-transition logic) and microscopic Skill (state-specific behaviors), enabling targeted improvements under clear behavioral boundaries. Guided by a critic mechanism, EvoFSM refines the FSM through a small set of constrained operations, and further incorporates a self-evolving memory that distills successful trajectories as reusable priors and failure patterns as constraints for future queries. Extensive evaluations on five multi-hop QA benchmarks demonstrate the effectiveness of EvoFSM. In particular, EvoFSM reaches 58.0% accuracy on the DeepSearch benchmark. Additional results on interactive decision-making tasks further validate its generalization.

cs.AI

CloneMem: Benchmarking Long-Term Memory for AI Clones

AI Clones aim to simulate an individual's thoughts and behaviors to enable long-term, personalized interaction, placing stringent demands on memory systems to model experiences, emotions, and opinions over time. Existing memory benchmarks primarily rely on user-agent conversational histories, which are temporally fragmented and insufficient for capturing continuous life trajectories. We introduce CloneMem, a benchmark for evaluating longterm memory in AI Clone scenarios grounded in non-conversational digital traces, including diaries, social media posts, and emails, spanning one to three years. CloneMem adopts a hierarchical data construction framework to ensure longitudinal coherence and defines tasks that assess an agent's ability to track evolving personal states. Experiments show that current memory mechanisms struggle in this setting, highlighting open challenges for life-grounded personalized AI. Code and dataset are available at https://github.com/AvatarMemory/CloneMemBench

cs.AI

Efficient MoE Inference with Fine-Grained Scheduling of Disaggregated Expert Parallelism

The mixture-of-experts (MoE) architecture scales model size with sublinear computational increase but suffers from memory-intensive inference due to KV caches and sparse expert activation. Recent disaggregated expert parallelism (DEP) distributes attention and experts to dedicated GPU groups but lacks support for shared experts and efficient task scheduling, limiting performance. We propose FinDEP, a fine-grained task scheduling algorithm for DEP that maximizes task overlap to improve MoE inference throughput. FinDEP introduces three innovations: 1) partitioning computation/communication into smaller tasks for fine-grained pipelining, 2) formulating a scheduling optimization supporting variable granularity and ordering, and 3) developing an efficient solver for this large search space. Experiments on four GPU systems with DeepSeek-V2 and Qwen3-MoE show FinDEP improves throughput by up to 1.61x over prior methods, achieving up to 1.24x speedup on a 32-GPU system.

cs.DC

Octopus: Agentic Multimodal Reasoning with Six-Capability Orchestration

Existing multimodal reasoning models and frameworks suffer from fundamental architectural limitations: most lack the human-like ability to autonomously explore diverse reasoning pathways-whether in direct inference, tool-driven visual exploration, programmatic visual manipulation, or intrinsic visual imagination. Consequently, they struggle to adapt to dynamically changing capability requirements in real-world tasks. Meanwhile, humans exhibit a complementary set of thinking abilities when addressing such tasks, whereas existing methods typically cover only a subset of these dimensions. Inspired by this, we propose Octopus: Agentic Multimodal Reasoning with Six-Capability Orchestration, a new paradigm for multimodal agentic reasoning. We define six core capabilities essential for multimodal reasoning and organize a comprehensive evaluation benchmark, Octopus-Bench, accordingly. Octopus is capable of autonomously exploring during reasoning and dynamically selecting the most appropriate capability based on the current state. Experimental results show that Octopus achieves the best performance on the vast majority of tasks in Octopus-Bench, highlighting the crucial role of capability coordination in agentic multimodal reasoning.

cs.AI