arXiv subjects

Hao Chen

Publications and source records attributed to Hao Chen.

At least 55 records · Page 3Linked to original sources

arXiv2026

Beyond Scaffold Splits: Structural-Frontier Evaluation Reveals Hidden Failures in ADMET Models

Molecular property models are commonly evaluated by holding out Bemis-Murcko scaffolds, yet a scaffold identifier is only one notion of chemical unfamiliarity. We introduce a label-free structural-frontier split that reserves the sparsest and most physicochemically remote scaffold groups, and evaluate it on six public experimental or curated ADMET tasks. Against a 70/10/20 scaffold control with identical acyclic grouping, the frontier inflates equally weighted primary error with a taskwise median of 87.0% and a skew-sensitive mean of 130.3% (descriptive task/seed bootstrap interval, 52.1-246.0%). The mean falls to 75.9% once BBB is removed; that endpoint is the one whose score ranking inverts at the frontier. A message-passing graph-network control still shows a large gap (mean 82.8% over four tasks) and does not invert, so a low-capacity head does not explain the effect. We also test Multi-View Frontier Risk Extrapolation (MV-FREX), a count-adjusted tail-risk penalty over four molecular views, and treat it as a falsifiable probe. It changes normalized frontier error by only 0.16% relative to empirical risk minimization for the perceptron head (interval, -0.43-0.84%) and by -1.9% for the graph network; three fixed robust-penalty controls are likewise inconclusive. Against the published Lo-Hi and DataSAIL splitters, the frontier inflates error more on average, though no split is uniformly hardest. An audit of 31,561 marine natural products further shows that OOD status and agreement with legacy ADMET predictions depend on the molecular view, endpoint, and teacher coverage. Split construction and label provenance are important evaluation constraints in their own right, and the tested training penalties do not resolve the frontier failures we observe.

cs.LG↗

arXiv2026

CheckerBench: Can Long-Horizon Agents Synthesize Static-Analysis Checkers?

Static-analysis checker synthesis requires agents to interpret a defect specification, inspect a repository, implement analyzer-specific logic, and refine the checker through repeated compilation and analysis feedback. Existing coding-agent benchmarks focus on tasks such as patch generation or vulnerability detection and rarely assess whether an agent can develop a working checker in a repository from start to finish. We introduce CheckerBench, an executable benchmark of 300 tasks derived from 297 CVEs across 167 repositories, 85 CWEs, and five language ecosystems. Each task includes vulnerable and fixed revisions, a pinned analysis environment, and a checker scaffold. We further introduce CheckerLab, a common evaluation framework that independently rebuilds submitted checkers and measures vulnerable-fixed diagnostic contrast, patch localization, false positives, and tool use. Across 21 model-harness configurations and three independent repeats per configuration, mean Pass@1 is 32.30%, while the best reaches 45.33%. These results show that reliable, reusable checker development remains challenging for current coding agents.

cs.SE↗

arXiv2026

Programming electronic states in conductive metal-organic frame-works through crystallization-enabled proton management

Conductive metal-organic frameworks (c-MOFs) are promising electronic materials, where electronic states critically determine electrical conductivity. However, achieving controllable modulation of these states during crystallization remains challenging. Existing approaches rely either on redesigning framework components or on introducing external dopants after crystallization, making electronic-state regulation dependent on structural modification or postsynthetic doping. Here, we demonstrate a crystallization-enabled in situ proton-management strategy for regulating the electronic state of c-MOFs. Using Co9HHTP4 as a model system, we show that distinct proton environments influence the balance between competing proton-coupled electron-transfer pathways during Co-O framework assembly while preserving the fundamental framework architecture. HNO3-mediated crystallization produces an electronic state consistent with enhanced electron retention within the Co-O framework and results in a single-crystal conductivity of 8.4 * 10-2 S cm-1, nearly four orders of magnitude higher than Co9HHTP4-NaOAc (1.7 * 10-5 S cm-1), together with a substantially reduced transport activation energy. Hall measurements further reveal a pronounced increase in carrier concentration for Co9HHTP4-HNO3, providing direct evidence that the enhanced conductivity is associated with a substantially increased carrier population. These results establish crystallization conditions as an active parameter for programming electronic states and charge transport in conductive frameworks.

cond-mat.mtrl-sci↗

arXiv2026

The Back-to-Back Plateau of the Energy-Energy Correlator from Weak to Strong Coupling

The back-to-back limit of the energy-energy correlator (EEC) exhibits a finite plateau, capturing the evolution from perturbative soft-collinear radiation at weak coupling to string dynamics at strong coupling. At weak coupling, we resum its leading and next-to-leading-power logarithms through N$^3$LL in $\mathcal N=4$ SYM, including non-planar contributions. Combining this weak-coupling endpoint with bootstrap and strong-coupling data, we construct an interpolation for the plateau height from weak to strong coupling. The calculation uses a human-in-the-loop agentic workflow.

hep-th↗

arXiv2026

One Tile, Multiple Instances: Rethinking MIL for Sparse Diagnostic Evidence

In weakly supervised Whole Slide Image (WSI) classification, feature extractors typically compress each image tile into a single global embedding. Consequently, slide-level aggregators are restricted to this coarse tile scale, concealing fine-grained sub-tile evidence from the attention mechanism. We introduce DI-MIL, a framework that decouples encoding context from instance granularity through decomposed instances. By clustering dense spatial tokens from a frozen foundation model within each tile, DI-MIL converts a single tile into multiple independently weighted instance embeddings. As a training-free post-encoding module, DI-MIL integrates seamlessly into existing pipelines without requiring re-encoding or downstream architectural modifications. We evaluate DI-MIL on cytopathology, a challenging testbed where sparse diagnostic signals are easily diluted within standard tiles. Across four datasets, three frozen foundation models, and two attention-based aggregators, DI-MIL demonstrates consistent efficacy, improving 67 of 72 metric-level comparisons, with the largest mean gains reaching 3.64 points under cytopathology-specific backbones. In a broader comparison against seven representative MIL baselines, DI-MIL paired with ACMIL achieves highest mean performance in 33 of 36 backbone-dataset-metric comparisons. Ablations show that direct smaller tiling inflates the extracted tile count by up to 43.3$\times$ with non-monotonic performance, whereas DI-MIL incurs zero additional image-extraction overhead while achieving the strongest overall results. These results establish instance construction as an orthogonal design dimension in MIL, supporting DI-MIL as a cost-efficient solution under sparse diagnostic evidence.

cs.CV↗

arXiv2026

PerturBot: Breaking Shortcut Priors in Vision-Language-Action Models with Perturbative Training

A vision--language--action (VLA) policy can complete complex tasks while ignoring the evidence that should determine its actions. An object held near the wrist camera can displace the instructed target. Language and action show the same pattern: a familiar noun can trigger the operation it was paired with in training even after the verb changes, and a gripper that closed on nothing may lift anyway. We call these dependencies modality shortcuts: regularities in successful demonstrations make visual, lexical, or motor cues sufficient to predict expert actions without the task evidence needed for the underlying decision. More demonstrations of the same kind can raise task success while leaving these shortcuts intact. We propose Perturbot which makes task-relevant evidence easier to use and shortcuts insufficient on their own: it applies task-preserving wrist-view perturbations, enriches instructions with decision-relevant captions, and adds random and failed trajectory segments relabeled with the behavior they contain. It complements scaling by changing what is scaled, and leaves inference unchanged. Moreover, we propose GroundingFscore, an offline score that diagnoses how severely a policy relies on modality shortcuts. Task success rate shows whether a policy improves, while GroundingFscore reveals whether the policy scales healthily, relying on task evidence rather than shortcuts. Together, Perturbot and GroundingFscore provide a training-and-evaluation framework for disentangling VLA decisions from shortcut priors while preserving responsiveness to task-relevant evidence.

cs.RO↗

arXiv2026

Can structure formation distinguish between holographic dark energy models?

Structure formation has been used to test the viability of the IR cutoff in the THDE model, and the future event horizon was found to be a viable IR cutoff (Phys. Rev. D {\bf 113}, 123531 (2026)). Motivated by this, in this paper, using the combined Pantheon+ SN Ia, OHD, DESI DR2, and CMB distance prior datasets, we constrain the model parameters for the HDE, THDE, and BHDE models, and use parameter sets from the MCMC samples to analyze the evolution of $fσ_{8}(z)$ and $S_{8}(z)$ for these models. We find that the evolutionary curves of both $fσ_{8}(z)$ and $S_{8}(z)$ for HDE and BHDE are nearly indistinguishable, while the curves for the THDE model lie lowest. The $χ^{2}$ statistic shows that the THDE model yields the lowest $χ^{2}$ value for both $fσ_{8}$ and $S_{8}$ measurements. Finally, we construct the ($fσ_{8}$,$S_{8}$) plane as a diagnostic to analyze the trajectories of these models, and find that the trajectory of the THDE model can achieve the current ($fσ_{8}$,$S_{8}$) data region. These results demonstrate that structure formation can distinguish THDE from HDE and BHDE, and suggest that structure formation can serve as a useful probe for distinguishing HDE models and can be extended to other HDE scenarios.

gr-qc↗

arXiv2026

Chaining Skills to Hijack LLM Agents

LLM agents use skills to improve performance on specialized tasks. To complete a user request, an agent may invoke several skills in sequence, allowing information produced under one skill to guide the next. Because skills may come from open-source repositories, this handoff can also carry attacker-controlled claims into later decisions. In this paper, we introduce APEX, which constructs and refines adversarial skill chains tailored to a user task and an attacker-selected action. The key insight is that an agent-written record of genuine task progress can carry a false claim of user approval across skills: an upstream skill induces the agent to create the record, and a downstream skill uses it to direct the attacker-selected action. Across four targeted-action families and six models on SkillsBench, the chains induce the selected action in 512 of 690 attempts (74.2%). On GPT-5.4, the full chain succeeds in 84.3% of attempts, compared with 17.4% when the workflow is merged into one skill. We further evaluate a prompting defense that asks the agent to check skill-produced files against the original request. On GPT-5.4, it lowers targeted-action success from 84.3% to 59.1%, while the verifier test-pass rate across 72 benign native-skill tasks falls from 86.7% to 56.3%. These results highlight the need for defenses that prevent attacker-directed actions while preserving legitimate task performance.

cs.CR↗

arXiv2026

TRACE: A Multi-Agent System for Autonomous Physical Reasoning for Seismology

Modern seismic networks resolve earthquake sequences in unprecedented detail, yet explaining how large earthquakes emerge from evolving fault systems remains difficult. We introduce TRACE, a seismology-guided artificial intelligence agent that plans and executes workflows while preserving auditable evidence chains from observations to physical interpretation. We evaluated TRACE through 104 benchmark tasks and two complementary earthquake sequences. For the well-studied 2019 Ridgecrest sequence, TRACE constructed a high-resolution catalog from continuous waveforms and retrospectively recovered delayed cascading activation between the Mw 6.4 and Mw 7.1 earthquakes without a prescribed target interpretation. In the less-understood 2025-2026 Sanriku sequence off northeastern Japan, TRACE developed a testable interpretation of progressive destabilization within a segmented megathrust. Its synthesis linked coupled seismic-aseismic activation around the MJ 6.9 sequence and subsequent persistent, spatially segmented shallow-interface activity to a megathrust patch that lay between regions of past large coseismic slip and later hosted the MJ 7.7 rupture. These results open a path from seismic observations to testable physical insight.

physics.geo-ph↗

arXiv2026

PAIQ: Patch-Aligned Semantic Injection via Residual Rotation

Language-aligned and self-supervised visual encoders offer complementary strengths in semantic abstraction and spatial detail. Harnessing this complementarity requires enriching local features while retaining distinctions between semantically related patches. We introduce PAIQ, a patch-aligned semantic injection framework that combines content-based cross-encoder matching with orthogonally constrained residual updates. Using DINOv3 patch features as the spatial base, PAIQ aggregates complementary SigLIP features through joint source allocation and injects the aggregate--base differences through a shared orthogonal transformation Q. This rotation adapts update directions while preserving residual norms and pairwise angles. For fixed projected features, we derive conditions for patch separability under similar semantic aggregates and show that rotation adds a nonnegative separation term over direct interpolation when the aggregate is shared. Only the projection and fusion parameters are trained; both visual encoders and the language model remain frozen, and fusion retains 196 visual tokens. Across diverse language backbones, PAIQ yields broad gains in judge-assessed correctness and reductions in hallucination severity over single-encoder interfaces on image description and visual question answering. On the 2B and 9B Qwen backbones, this compact interface outperforms the strongest evaluated fusion or token-compression baselines by about 2.9 correctness points on average.

cs.CV↗

arXiv2026

CoEvoWhen: Policy-Tool Coevolution for Ultra-Long Video Temporal Grounding

Ultra-long video temporal grounding requires balancing long-range evidence search with fine-grained event understanding under a limited visual budget, yet existing agentic methods still rely largely on predefined policies and tool capabilities. Motivated by this, we propose a novel policy-tool coevolution framework that jointly evolves high-level policies and executable media tools from the agentic reasoning trajectories of a VLM, forming a reusable skill without updating model parameters. During evolution, an external skill updater distills transferable task experience in long-video temporal grounding, accordingly refining the orchestration of long-range image-based and fine-grained video-based observations. Alongside these policy updates, the updater employs its coding capabilities to upgrade existing tools or create new ones, adapting the tools to long-video evidence acquisition. Equipped with the evolved skill, the VLM autonomously orchestrates tools under the guidance of the evolved policy, coordinating image and video observations for agentic inference without relying on a separate, stronger planning model. Extensive experiments spanning five benchmarks and three VLMs show that policy-tool coevolution consistently improves temporal grounding accuracy in ultra-long videos while reducing visual token cost at inference, and that the evolved skill yields substantial performance gains on general long-video QA without additional task-specific evolution, demonstrating the effectiveness and generalizability of our framework for long-video understanding.

cs.CV↗

arXiv2026

Spatial Memory Agent: Experience-Grounded Procedural Memory for Spatial Intelligence

Spatial intelligence is becoming a foundation for embodied agents, robotic planning, and multimodal assistants. To improve the spatial reasoning ability of VLMs, existing work has mainly followed two lines. One line uses post-training methods, such as supervised fine-tuning and reinforcement learning. Another line adopts an agentic paradigm in which the model calls external spatial tools to gather intermediate spatial evidence. We study a complementary and underexplored route: Can a frozen VLM agent improve its spatial reasoning through \textbf{parameter-update-free self-evolution}, without depending on external expert spatial tools at inference time? We present \textbf{Spatial Memory Agent (SMA)}, an experience-grounded runtime memory framework that converts verified spatial experience into reusable transferable lessons. Specifically, SMA first queries the frozen VLM in a verifiable spatial environment, obtains a predicted answer and reward, and uses verifier-guided reflection to distill compact transferable lessons stored in memory cards. SMA further assigns each memory card a \textbf{Transfer Reliability Score (TRS)}, which is initialized uniformly and calibrated from later retrieval outcomes as visit evidence of future transfer reliability. During read-only deployment, SMA retrieves memory cards through semantic filtering and combined similarity--TRS ranking, allowing the retrieved memory to guide frozen model inference. Experiments across five representative spatial benchmarks show that SMA achieves the best macro-average accuracy for all four base VLMs and the best accuracy in most individual evaluations, establishing a practical parameter-update-free path for spatial self-evolution through reusable experience.

cs.AI↗

arXiv2026

DirectUV: Image-Conditioned UV Texture Generation with Surface-Aware Positional Encoding

Generating high-quality UV textures for 3D meshes remains challenging. Multi-view projection pipelines suffer from occlusion and view inconsistency, and recent methods that generate textures directly in UV space still rely on auxiliary modules to supply 3D information, leaving the attention mechanism tied to UV-grid positions rather than to the underlying surface geometry. This mismatch limits coherence across seams and disconnected UV islands. We propose DirectUV, an image-conditioned UV texture diffusion framework that operates in the latent UV space of a pretrained image VAE, in which a Diffusion Transformer denoises the UV latent given a single input image and a coarse UV map. At its core, Surface-Aware Positional Encoding (SAPE) replaces the standard 2D-grid positional encoding with encodings derived from per-token 3D surface coordinates obtained via UV-to-surface correspondence. As positional encodings define the distance metric used by attention, SAPE enables tokens to interact according to 3D positional proximity derived from surface correspondence rather than UV-grid distance, restoring coherence across seams and disconnected islands. A multi-level extension further assigns different attention heads to progressively finer subdivisions of the same latent UV patch, allowing the model to reason about surface structure at multiple granularities. Experiments show that DirectUV produces sharper and more globally consistent textures than other baselines, with the largest improvements in occluded and view-unseen regions where projection-based methods leave gaps or stretched textures.

cs.CV↗

arXiv2026

BiFE: Search-Efficient Discovery of CPU-Only Branching Policies via LLM-based Bi-Fidelity Evolution

In branch-and-bound (B&B) for mixed-integer linear programming (MILP), branching variable selection critically impacts efficiency. Existing neural branching policies often require GPU inference, while CPU-efficient symbolic expressions lack the representational capacity for complex logic. Large Language Model (LLM)-generated code provides a flexible search space for designing lightweight branching rules with diverse algorithmic logic. To discover effective rules within LLM-based evolutionary frameworks, a core challenge arises: full B&B evaluation on real instances is prohibitively expensive, whereas offline imitation learning suffers from distribution shift. To address this, we introduce a Bi-Fidelity Evolutionary framework (BiFE). It employs low-fidelity imitation scores as a rapid pre-screener and selectively applies high-fidelity on-instance evaluation only to elite candidates, effectively balancing search efficiency with performance reliability. Experiments validate both the search efficiency of BiFE and the competitiveness of its discovered rules, which outperform the SCIP solver and other baselines on CPUs, and even surpass certain GPU-based neural policies.

cs.AI↗

arXiv2026

Seg3DParts: Segmentation-Grounded Controllable Part-Level 3D Generation

Part-level 3D assets are essential for editing, reassembly, and interaction, yet recovering such structure from a single image remains challenging due to occlusion, ambiguous boundaries, and the need for coherent multi-part reasoning. Existing approaches struggle to achieve both controllable part-level generation and coherent multi-part structure, as part identity and spatial allocation are typically inferred implicitly. We present Seg3DParts, a segmentation-grounded framework for controllable part-level 3D generation from a single image. By treating segmentation as an explicit grounding signal, our method defines part identity during generation, enabling each component to be anchored to a corresponding image region. To ensure coherent assemblies, we introduce structured cross-part interaction that allows components to exchange global context throughout the generative process. As a result, Seg3DParts directly generates well-aligned part meshes in a shared canonical space without post-hoc alignment, supporting flexible and controllable decomposition. We further introduce PartObjectNet, a large-scale dataset with over 200K objects and 1M annotated parts. Experiments demonstrate that Seg3DParts achieves superior geometry quality, cross-part coherence, and part-level controllability over existing methods.

cs.CV↗

arXiv2026

ContractBench: Can LLM Agents Preserve Observation Contracts?

Tool-augmented LLM agents call APIs whose intermediate outputs, such as presigned URLs, session tokens, and OAuth state parameters, are observation contracts: artifacts whose later use is constrained by the external system that produced them. We show that observation contract compliance (preserving the temporal validity and byte-level integrity) is an emergent, regression-prone capability: it is neither guaranteed by general tool-use ability nor consistently improved by larger or newer models. To measure this, we introduce ContractBench, a benchmark of 33 dual-axis tasks that probe two orthogonal failure modes no existing benchmark evaluates: validity failures (using an artifact after expiry) and integrity failures (corrupting an artifact's bytes through the observation-to-action pipeline). Our evaluation is deterministic and programmatic, with a virtual clock controlling time and SHA-256 hashes verifying byte integrity. We assign each outcome a failure label drawn from real-world API specifications. We evaluate 38 models and report four findings: (i) no evaluated model clears 80%, with Claude-Opus-4.6 leading at 77.8%, revealing that current frontier models still fail to comply with observation contracts; (ii) a sharp within-family capability cliff in Qwen 3.5 between 4B (0%) and 9B (56.6%), smoothing to 70.7% at 397B-A17B: what emerges across the cliff is mid-trajectory restraint, not tool-call competence; (iii) non-monotonic scaling across the GPT-5 family: agentic post-training can erode compliance through sycophancy-driven regression; (iv) our failure taxonomy works as an actionable in-context reward signal, yielding +7.1 pp on 42 paired GPT-5.1 failures.

cs.SE↗

arXiv2026

COGNIT-Guard: Calibrated Standalone Direct-Decision Guardrails with Heterogeneous CPU-NPU Confidence Cascading under Explicit Latency and False-Positive Constraints

When must a foundation-model safety gateway generate tokens, and when should it directly output a calibrated decision? We study calibrated standalone direct-decision foundation models for real-time pre-ingestion safety guardrails, jointly addressing probability calibration, dual-use false-positive control, and heterogeneous CPU-NPU routing under explicit latency SLOs. Pre-ingestion guardrails must screen prompts prior to target-LLM prefill with low false alarms on benign compliance inquiries; however, shallow classifiers are brittle to phrasing shifts, hidden-state probes require coupling to a target LLM, and generative guards incur high decoding latency and dual-use false positives. We present COGNIT-Guard, coupling a validation-calibrated CPU fast gatekeeper with confidence-gated escalation to an NPU-resident 322M bidirectional direct-decision model (Laya-322M) under an asymmetric false-positive penalty. On the clean unseen DUCS-Bench test split ($N=607$), COGNIT-Guard achieves 98.85% accuracy (McNemar $p = 1.19 \times 10^{-4}$ vs. ML), reduces benign FPR to 0.42% ($1/238$; Fisher's exact $p = 8.23 \times 10^{-4}$ vs. ML), and attains 1.12% ECE and 0.0104 Brier score. On Huawei Ascend 910C NPUs, pure NPU inference runs in 21.77 ms mean latency (45.90 QPS), while the live serial CPU-NPU cascade ($θ^*_{\mathrm{deploy}}=0.70$) achieves 41.63 ms mean latency (P50: 39.47 ms, 99.23% accuracy, 0.00% FPR). Evaluation on SafetyBench-ZH ($N=2,100$) and comparison against a bi-encoder direct-decision baseline (CLM-8B) disentangle in-domain gains, OOD alignment tax (60.33% $\to$ 56.81% on Laya; 55.10% on domain CLM-8B), and experience replay recovery, restoring OOD accuracy to 64.10%-65.05% and reaching 99.67%-99.84% in-domain accuracy with 0.00%-0.42% FPR.

cs.CR↗

arXiv2026

MAD-Guard: Controlled Study of Autoregressive Generation versus Direct Decision Interfaces for Closed Multimodal Forensic Tasks

When should multimodal foundation models generate tokens, and when should they directly output a decision? We present MAD-Guard, a controlled study of output-decision interfaces for closed multimodal forensic tasks. Once a multimodal representation is computed, is autoregressive generation necessary for closed forensic decisions with high input complexity but low output entropy? Under a matched Qwen3-VL-8B backbone, 2,400 FakeClue training samples, and LoRA budget ($r=16, α=32$) on Huawei Ascend 910C NPUs, we evaluate a progression of decision interfaces (AR-SFT [generate] $\to$ Logit Slice $\to$ Binary Direct Head $\to$ +choice $\to$ +act $\to$ CLM-Head) and decompose latency into backbone representation (53.12 ms), 151,643-way vocabulary projection (+85.04 ms $\to$ 138.16 ms), and decoding (+248.26 ms $\to$ 386.42 ms). Under 1-to-1 binary supervision ($\mathcal{L}_{\mathrm{BCE}}$), a Binary Direct Head cuts latency by $2.60\times$-$7.27\times$ (53.12 ms) and lowers calibration error by $1.88\times$ (ECE = 0.0450 vs. 0.0845), with a -1.80% accuracy trade-off (93.10% vs. 94.90%; 0.9795 vs. 0.9871 ROC-AUC) from forfeiting token priors. Gains above AR-SFT arise either from multi-task attribution and uncertainty gating (+choice+act: 96.44% accuracy, 0.9940 ROC-AUC, 0.0187 ECE at 53.71 ms) or from a disaggregated contrastive head (CLM-Head: 96.55% binary and 96.44% multi-task accuracy, 0.0166 ECE, 98.79% 7-class attribution at 54.42 ms) retaining semantic priors without token decoding. Across 5,000 out-of-sample images from five benchmarks, our framework excels on synthetic, camouflage, and document forgeries (96.44% GenImage, 97.73% Chameleon, 91.84% Doc) while showing a clear boundary on compressed face manipulation (FF++ ROC-AUC = 0.5913).

cs.CV↗