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Received — 5 March 2026 ⏭ cs.AI, q-bio.NC updates on arXiv.org

Mozi: Governed Autonomy for Drug Discovery LLM Agents

arXiv:2603.03655v1 Announce Type: new Abstract: 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.

Image-based Prompt Injection: Hijacking Multimodal LLMs through Visually Embedded Adversarial Instructions

arXiv:2603.03637v1 Announce Type: cross Abstract: Multimodal Large Language Models (MLLMs) integrate vision and text to power applications, but this integration introduces new vulnerabilities. We study Image-based Prompt Injection (IPI), a black-box attack in which adversarial instructions are embedded into natural images to override model behavior. Our end-to-end IPI pipeline incorporates segmentation-based region selection, adaptive font scaling, and background-aware rendering to conceal prompts from human perception while preserving model interpretability. Using the COCO dataset and GPT-4-turbo, we evaluate 12 adversarial prompt strategies and multiple embedding configurations. The results show that IPI can reliably manipulate the output of the model, with the most effective configuration achieving up to 64\% attack success under stealth constraints. These findings highlight IPI as a practical threat in black-box settings and underscore the need for defenses against multimodal prompt injection.

Relational In-Context Learning via Synthetic Pre-training with Structural Prior

arXiv:2603.03805v1 Announce Type: cross Abstract: Relational Databases (RDBs) are the backbone of modern business, yet they lack foundation models comparable to those in text or vision. A key obstacle is that high-quality RDBs are private, scarce and structurally heterogeneous, making internet-scale pre-training infeasible. To overcome this data scarcity, We introduce $\textbf{RDB-PFN}$, the first relational foundation model trained purely via $\textbf{synthetic data}$. Inspired by Prior-Data Fitted Networks (PFNs) where synthetic data generated from Structural Causal Models (SCMs) enables reasoning on single tables, we design a $\textbf{Relational Prior Generator}$ to create an infinite stream of diverse RDBs from scratch. Pre-training on $\textbf{over 2 million}$ synthetic single-table and relational tasks, RDB-PFN learns to adapt to any new database instantly via genuine $\textbf{in-context learning}$. Experiments verify RDB-PFN achieves strong few-shot performance on 19 real-world relational prediction tasks, outperforming graph-based and single-table foundation-model baselines (given the same DFS-linearized inputs), while using a lightweight architecture and fast inference. The code is available at https://github.com/MuLabPKU/RDBPFN

GIPO: Gaussian Importance Sampling Policy Optimization

arXiv:2603.03955v1 Announce Type: cross Abstract: Post-training with reinforcement learning (RL) has recently shown strong promise for advancing multimodal agents beyond supervised imitation. However, RL remains limited by poor data efficiency, particularly in settings where interaction data are scarce and quickly become outdated. To address this challenge, GIPO (Gaussian Importance sampling Policy Optimization) is proposed as a policy optimization objective based on truncated importance sampling, replacing hard clipping with a log-ratio-based Gaussian trust weight to softly damp extreme importance ratios while maintaining non-zero gradients. Theoretical analysis shows that GIPO introduces an implicit, tunable constraint on the update magnitude, while concentration bounds guarantee robustness and stability under finite-sample estimation. Experimental results show that GIPO achieves state-of-the-art performance among clipping-based baselines across a wide range of replay buffer sizes, from near on-policy to highly stale data, while exhibiting superior bias--variance trade-off, high training stability and improved sample efficiency.

Crab$^{+}$: A Scalable and Unified Audio-Visual Scene Understanding Model with Explicit Cooperation

arXiv:2603.04128v1 Announce Type: cross Abstract: Developing Audio-Visual Large Language Models (AV-LLMs) for unified scene understanding is pivotal in multimodal intelligence. While instruction tuning enables pre-trained models with multi-task abilities, we observe that conventional multi-task unification methods often suffer from severe negative transfer, where nearly 55% of tasks degrade compared to single-task training. We attribute this phenomenon to audio-visual task heterogeneity, characterized by disparate task granularity and divergent capability demands, which lead to negative interference under joint training. To tackle this, we present Crab$^{+}$, a scalable and unified audio-visual scene understanding model that addresses task heterogeneity through explicit cooperation from both data and model perspectives. On the data side, we introduce AV-UIE v2, a comprehensive Audio-Visual Unified Instruction-tuning dataset with Explicit reasoning processes. It contains approximately 222K samples spanning 17 datasets and 7 tasks, enabling the model to capture cross-task relationships at different levels of granularity. On the model side, we design a unified interface to align heterogeneous task formulations, and propose Interaction-aware LoRA (I-LoRA), which explicitly models inter-task relationships via dynamic routing to coordinate distinct audio-visual interaction patterns, mitigating parameter interference. Extensive experiments show Crab$^{+}$ covers broader tasks than existing unified models while outperforming specialized models on various benchmarks. We successfully reverse the negative transfer trend, achieving positive transfer where multi-task learning surpasses single-task baselines in nearly 88% of tasks. These results hold across diverse AV-LLM paradigms and are validated through in-depth visualization, positioning Crab$^{+}$ as a robust step towards holistic audio-visual scene understanding.

PRAM-R: A Perception-Reasoning-Action-Memory Framework with LLM-Guided Modality Routing for Adaptive Autonomous Driving

arXiv:2603.04222v1 Announce Type: cross Abstract: Multimodal perception enables robust autonomous driving but incurs unnecessary computational cost when all sensors remain active. This paper presents PRAM-R, a unified Perception-Reasoning-Action-Memory framework with LLM-Guided Modality Routing for adaptive autonomous driving. PRAM-R adopts an asynchronous dual-loop design: a fast reactive loop for perception and control, and a slow deliberative loop for reasoning-driven modality selection and memory updates. An LLM router selects and weights modalities using environmental context and sensor diagnostics, while a hierarchical memory module preserves temporal consistency and supports long-term adaptation. We conduct a two-stage evaluation: (1) synthetic stress tests for stability analysis and (2) real-world validation on the nuScenes dataset. Synthetic stress tests confirm 87.2% reduction in routing oscillations via hysteresis-based stabilization. Real-world validation on nuScenes shows 6.22% modality reduction with 20% memory recall while maintaining comparable trajectory accuracy to full-modality baselines in complex urban scenarios. Our work demonstrates that LLM-augmented architectures with hierarchical memory achieve efficient, adaptive multimodal perception in autonomous driving.

Online Learning for Multi-Layer Hierarchical Inference under Partial and Policy-Dependent Feedback

arXiv:2603.04247v1 Announce Type: cross Abstract: Hierarchical inference systems route tasks across multiple computational layers, where each node may either finalize a prediction locally or offload the task to a node in the next layer for further processing. Learning optimal routing policies in such systems is challenging: inference loss is defined recursively across layers, while feedback on prediction error is revealed only at a terminal oracle layer. This induces a partial, policy-dependent feedback structure in which observability probabilities decay with depth, causing importance-weighted estimators to suffer from amplified variance. We study online routing for multi-layer hierarchical inference under long-term resource constraints and terminal-only feedback. We formalize the recursive loss structure and show that naive importance-weighted contextual bandit methods become unstable as feedback probability decays along the hierarchy. To address this, we develop a variance-reduced EXP4-based algorithm integrated with Lyapunov optimization, yielding unbiased loss estimation and stable learning under sparse and policy-dependent feedback. We provide regret guarantees relative to the best fixed routing policy in hindsight and establish near-optimality under stochastic arrivals and resource constraints. Experiments on large-scale multi-task workloads demonstrate improved stability and performance compared to standard importance-weighted approaches.

ZipMap: Linear-Time Stateful 3D Reconstruction with Test-Time Training

arXiv:2603.04385v1 Announce Type: cross Abstract: Feed-forward transformer models have driven rapid progress in 3D vision, but state-of-the-art methods such as VGGT and $\pi^3$ have a computational cost that scales quadratically with the number of input images, making them inefficient when applied to large image collections. Sequential-reconstruction approaches reduce this cost but sacrifice reconstruction quality. We introduce ZipMap, a stateful feed-forward model that achieves linear-time, bidirectional 3D reconstruction while matching or surpassing the accuracy of quadratic-time methods. ZipMap employs test-time training layers to zip an entire image collection into a compact hidden scene state in a single forward pass, enabling reconstruction of over 700 frames in under 10 seconds on a single H100 GPU, more than $20\times$ faster than state-of-the-art methods such as VGGT. Moreover, we demonstrate the benefits of having a stateful representation in real-time scene-state querying and its extension to sequential streaming reconstruction.

SpatialBench: Benchmarking Multimodal Large Language Models for Spatial Cognition

arXiv:2511.21471v2 Announce Type: replace Abstract: Spatial cognition is fundamental to real-world multimodal intelligence, allowing models to effectively interact with the physical environment. While multimodal large language models (MLLMs) have made significant strides, existing benchmarks often oversimplify spatial cognition, reducing it to a single-dimensional metric, which fails to capture the hierarchical structure and interdependence of spatial abilities. To address this gap, we propose a hierarchical spatial cognition framework that decomposes spatial intelligence into five progressively complex levels from basic observation to high-level planning. Building upon this taxonomy, we construct SpatialBench, a large-scale, fine-grained benchmark covering 15 tasks aligned with these cognitive levels. To provide a unified evaluation across heterogeneous tasks, we further introduce a high-level capability-oriented metric that reliably assesses a model's overall spatial reasoning ability. Extensive experiments over massive MLLMs reveal distinct performance stratification across cognitive levels: models exhibit strong perceptual grounding yet remain limited in symbolic reasoning, causal inference, and planning. Additional human tests demonstrate that humans perform selective, goal-directed abstraction, while MLLMs tend to over-attend to surface details without coherent spatial intent. Our work establishes the first systematic framework for measuring hierarchical spatial cognition in MLLMs, laying the foundation for future spatially intelligent systems.

VITA: Vision-to-Action Flow Matching Policy

arXiv:2507.13231v4 Announce Type: replace-cross Abstract: Conventional flow matching and diffusion-based policies sample via iterative denoising from standard noise distributions (e.g., Gaussian), and require conditioning modules to repeatedly incorporate visual information during the generative process, incurring substantial time and memory overhead. To reduce the complexity, we develop VITA, VIsion-To-Action policy, a noise-free and conditioning-free flow matching policy learning framework that directly flows from visual representations to latent actions. Since the source of the flow is visually grounded, VITA eliminates the need for visual conditioning during generation. As expected, bridging vision and action is challenging, because actions are lower-dimensional, less structured, and sparser than visual representations; moreover, flow matching requires the source and target to have the same dimensionality. To overcome this, we introduce an action autoencoder that maps raw actions into a structured latent space aligned with visual latents, trained jointly with flow matching. To further prevent latent action space collapse during end-to-end training, we propose flow latent decoding, which anchors the latent generation process by backpropagating the action reconstruction loss through the flow matching ODE (ordinary differential equation) solving steps. We evaluate VITA on 9 simulation and 5 real-world tasks from ALOHA and Robomimic. VITA achieves 1.5x-2x faster inference compared to conventional methods with conditioning modules, while outperforming or matching state-of-the-art policies. Project page: https://ucd-dare.github.io/VITA/.

3D Wavelet-Based Structural Priors for Controlled Diffusion in Whole-Body Low-Dose PET Denoising

arXiv:2601.07093v4 Announce Type: replace-cross Abstract: Low-dose Positron Emission Tomography (PET) imaging reduces patient radiation exposure but suffers from increased noise that degrades image quality and diagnostic reliability. Although diffusion models have demonstrated strong denoising capability, their stochastic nature makes it challenging to enforce anatomically consistent structures, particularly in low signal-to-noise regimes and volumetric whole-body imaging. We propose Wavelet-Conditioned ControlNet (WCC-Net), a fully 3D diffusion-based framework that introduces explicit frequency-domain structural priors via wavelet representations to guide volumetric PET denoising. By injecting wavelet-based structural guidance into a frozen pretrained diffusion backbone through a lightweight control branch, WCC-Net decouples anatomical structure from noise while preserving generative expressiveness and 3D structural continuity. Extensive experiments demonstrate that WCC-Net consistently outperforms CNN-, GAN-, and diffusion-based baselines. On the internal 1/20-dose test set, WCC-Net improves PSNR by +1.21 dB and SSIM by +0.008 over a strong diffusion baseline, while reducing structural distortion (GMSD) and intensity error (NMAE). Moreover, WCC-Net generalizes robustly to unseen dose levels (1/50 and 1/4), achieving superior quantitative performance and improved volumetric anatomical consistency.

NExT-Guard: Training-Free Streaming Safeguard without Token-Level Labels

arXiv:2603.02219v1 Announce Type: cross Abstract: Large language models are increasingly deployed in streaming scenarios, rendering conventional post-hoc safeguards ineffective as they fail to interdict unsafe content in real-time. While streaming safeguards based on token-level supervised training could address this, they necessitate expensive annotations and suffer from severe overfitting. In this work, we challenge the paradigm that streaming safety must rely on token-level supervised training. Instead, it is an inherent capability of well-trained post-hoc safeguards, as they already encode token-level risk signals in hidden representations. Hence, we introduce NExT-Guard, a training-free framework that achieves streaming safeguards by monitoring interpretable latent features from Sparse Autoencoders (SAEs). It uses pretrained SAEs from publicly available base LLMs, enabling flexible, low-cost deployment without token-level supervision. Experimental results show that NExT-Guard outperforms both post-hoc and streaming safeguards based on supervised training, with superior robustness across models, SAE variants, and risk scenarios. These results make NExT-Guard a universal and scalable paradigm for real-time safety, accelerating the practical deployment of streaming safeguards.

Social-JEPA: Emergent Geometric Isomorphism

arXiv:2603.02263v1 Announce Type: cross Abstract: World models compress rich sensory streams into compact latent codes that anticipate future observations. We let separate agents acquire such models from distinct viewpoints of the same environment without any parameter sharing or coordination. After training, their internal representations exhibit a striking emergent property: the two latent spaces are related by an approximate linear isometry, enabling transparent translation between them. This geometric consensus survives large viewpoint shifts and scant overlap in raw pixels. Leveraging the learned alignment, a classifier trained on one agent can be ported to the other with no additional gradient steps, while distillation-like migration accelerates later learning and markedly reduces total compute. The findings reveal that predictive learning objectives impose strong regularities on representation geometry, suggesting a lightweight path to interoperability among decentralized vision systems. The code is available at https://anonymous.4open.science/r/Social-JEPA-5C57.

MASPOB: Bandit-Based Prompt Optimization for Multi-Agent Systems with Graph Neural Networks

arXiv:2603.02630v1 Announce Type: cross Abstract: Large Language Models (LLMs) have achieved great success in many real-world applications, especially the one serving as the cognitive backbone of Multi-Agent Systems (MAS) to orchestrate complex workflows in practice. Since many deployment scenarios preclude MAS workflow modifications and its performance is highly sensitive to the input prompts, prompt optimization emerges as a more natural approach to improve its performance. However, real-world prompt optimization for MAS is impeded by three key challenges: (1) the need of sample efficiency due to prohibitive evaluation costs, (2) topology-induced coupling among prompts, and (3) the combinatorial explosion of the search space. To address these challenges, we introduce MASPOB (Multi-Agent System Prompt Optimization via Bandits), a novel sample-efficient framework based on bandits. By leveraging Upper Confidence Bound (UCB) to quantify uncertainty, the bandit framework balances exploration and exploitation, maximizing gains within a strictly limited budget. To handle topology-induced coupling, MASPOB integrates Graph Neural Networks (GNNs) to capture structural priors, learning topology-aware representations of prompt semantics. Furthermore, it employs coordinate ascent to decompose the optimization into univariate sub-problems, reducing search complexity from exponential to linear. Extensive experiments across diverse benchmarks demonstrate that MASPOB achieves state-of-the-art performance, consistently outperforming existing baselines.

MedLA: A Logic-Driven Multi-Agent Framework for Complex Medical Reasoning with Large Language Models

arXiv:2509.23725v3 Announce Type: replace Abstract: Answering complex medical questions requires not only domain expertise and patient-specific information, but also structured and multi-perspective reasoning. Existing multi-agent approaches often rely on fixed roles or shallow interaction prompts, limiting their ability to detect and resolve fine-grained logical inconsistencies. To address this, we propose \textsc{MedLA}, a logic-driven multi-agent framework built on large language models. Each agent organizes its reasoning process into an explicit logical tree based on syllogistic triads (major premise, minor premise, and conclusion), enabling transparent inference and premise-level alignment. Agents engage in a multi-round, graph-guided discussion to compare and iteratively refine their logic trees, achieving consensus through error correction and contradiction resolution. We demonstrate that \textsc{MedLA} consistently outperforms both static role-based systems and single-agent baselines on challenging benchmarks such as MedDDx and standard medical QA tasks. Furthermore, \textsc{MedLA} scales effectively across both open-source and commercial LLM backbones, achieving state-of-the-art performance and offering a generalizable paradigm for trustworthy medical reasoning.

RubricBench: Aligning Model-Generated Rubrics with Human Standards

arXiv:2603.01562v2 Announce Type: replace Abstract: As Large Language Model (LLM) alignment evolves from simple completions to complex, highly sophisticated generation, Reward Models are increasingly shifting toward rubric-guided evaluation to mitigate surface-level biases. However, the community lacks a unified benchmark to assess this evaluation paradigm, as existing benchmarks lack both the discriminative complexity and the ground-truth rubric annotations required for rigorous analysis. To bridge this gap, we introduce RubricBench, a curated benchmark with 1,147 pairwise comparisons specifically designed to assess the reliability of rubric-based evaluation. Our construction employs a multi-dimensional filtration pipeline to target hard samples featuring nuanced input complexity and misleading surface bias, augmenting each with expert-annotated, atomic rubrics derived strictly from instructions. Comprehensive experiments reveal a substantial capability gap between human-annotated and model-generated rubrics, indicating that even state-of-the-art models struggle to autonomously specify valid evaluation criteria, lagging considerably behind human-guided performance.

Leverage Knowledge Graph and Large Language Model for Law Article Recommendation: A Case Study of Chinese Criminal Law

arXiv:2410.04949v3 Announce Type: replace-cross Abstract: Judicial efficiency is critical to social stability. However, in many countries worldwide, grassroots courts face substantial case backlogs, and judicial decisions remain heavily dependent on judges' cognitive efforts, with insufficient intelligent tools to enhance efficiency. To address this issue, we propose a highly efficient law article recommendation approach combining a Knowledge Graph (KG) and a Large Language Model (LLM). First, we construct a Case-Enhanced Law Article Knowledge Graph (CLAKG) to store current law articles, historical case information, and their interconnections, alongside an LLM-based automated construction method. Building on this, we propose a closed-loop law article recommendation framework integrating graph embedding-based retrieval and KG-grounded LLM reasoning. Experiments on judgment documents from China Judgments Online demonstrate that our method boosts law article recommendation accuracy from 0.549 to 0.694, outperforming strong baselines significantly. To support reproducibility and future research, all source code and processed datasets are publicly available on GitHub (see Data Availability Statement).

VeriStruct: AI-assisted Automated Verification of Data-Structure Modules in Verus

arXiv:2510.25015v4 Announce Type: replace-cross Abstract: We introduce VeriStruct, a novel framework that extends AI-assisted automated verification from single functions to more complex data structure modules in Verus. VeriStruct employs a planner module to orchestrate the systematic generation of abstractions, type invariants, specifications, and proof code. To address the challenge that LLMs often misunderstand Verus' annotation syntax and verification-specific semantics, VeriStruct embeds syntax guidance within prompts and includes a repair stage to automatically correct annotation errors. In an evaluation on eleven Rust data structure modules, VeriStruct succeeds on ten of the eleven, successfully verifying 128 out of 129 functions (99.2%) in total. These results represent an important step toward the goal of automatic AI-assisted formal verification.

NeuroWise: A Multi-Agent LLM "Glass-Box" System for Practicing Double-Empathy Communication with Autistic Partners

arXiv:2602.18962v2 Announce Type: replace-cross Abstract: The double empathy problem frames communication difficulties between neurodivergent and neurotypical individuals as arising from mutual misunderstanding, yet most interventions focus on autistic individuals. We present NeuroWise, a multi-agent LLM-based coaching system that supports neurotypical users through stress visualization, interpretation of internal experiences, and contextual guidance. In a between-subjects study (N=30), NeuroWise was rated as helpful by all participants and showed a significant condition-time effect on deficit-based attributions (p=0.02): NeuroWise users reduced deficit framing, while baseline users shifted toward blaming autistic "deficits" after difficult interactions. NeuroWise users also completed conversations more efficiently (37% fewer turns, p=0.03). These findings suggest that AI-based interpretation can support attributional change by helping users recognize communication challenges as mutual.
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