SPHERE: Mitigating the Loss of Spectral Plasticity in Mixture-of-Experts for Deep Reinforcement Learning

In deep reinforcement learning (DRL), an agent is trained from a stream of experience. In a continual learning setting, such agents can suffer from plasticity loss: their ability to learn new skills from new experiences diminishes over training. Recently, Mixture-of-Experts (MoE) networks have been reported to enable scaling laws and facilitate the learning of diverse skills. However, in continual reinforcement learning settings, their performance can degenerate as learning proceeds, indicating a loss of plasticity. To address this, building on Neural Tangent Kernel (NTK) theory, we formalize the plasticity loss in MoE policies as a loss of spectral plasticity. We then derive a tractable proxy for spectral plasticity, one expressible in terms of individual expert feature matrices. Leveraging this proxy, we introduce SPHERE, a practical Parseval penalty tailored for MoE-based policies that alleviates the loss of spectral plasticity. On MetaWorld and HumanoidBench, SPHERE improves average success under continual RL by 133% and 50% over an unregularized MoE baseline, while maintaining higher spectral plasticity throughout training.

MolViBench: Evaluating LLMs on Molecular Vibe Coding

Molecular Vibe Coding, a paradigm where chemists interact with LLMs to generate executable programs for molecular tasks, has emerged as a flexible alternative to chemical agents with predefined tools, enabling chemists to express arbitrarily complex, customized workflows. Unlike general coding tasks, molecular coding imposes a distinctive challenge that LLMs should jointly equip programming, molecular understanding, and domain-specific reasoning capabilities. However, existing benchmarks remain disconnected. General code generation benchmarks such as HumanEval and SWE-bench require no chemistry knowledge, while chemistry-focused benchmarks such as S^2-Bench and ChemCoTBench evaluate knowledge recall or property prediction rather than executable code generation. To bridge this gap, we introduce MolViBench, the first benchmark tailored for Molecular Vibe Coding. MolViBench comprises 358 curated tasks across five cognitive levels, ranging from single-API recall to end-to-end virtual screening pipeline design, spanning 12 real-world drug discovery workflows. To rigorously assess generated code, we also propose a multi-layered evaluation framework that combines type-aware output comparison and AST-based API-semantic fallback analysis, which jointly measures executability and chemical correctness. We systematically evaluate 9 frontier coding LLMs and compare three real-world Molecular Vibe Coding paradigms, providing a practical and fine-grained testbed for diagnosing LLMs' coding capabilities in AI-accelerated molecular discovery.

Benchmarking and Improving GUI Agents in High-Dynamic Environments

Recent advancements in Graphical User Interface (GUI) agents have predominantly focused on training paradigms like supervised fine-tuning (SFT) and reinforcement learning (RL). However, the challenge of high-dynamic GUI environments remains largely underexplored. Existing agents typically rely on a single screenshot after each action for decision-making, leading to a partially observable (or even unobservable) Markov decision process, where the key GUI state including important information for actions is often inadequately captured. To systematically explore this challenge, we introduce DynamicGUIBench, a comprehensive online GUI benchmark spanning ten applications and diverse interaction scenarios characterized by important interface changes between actions. Furthermore, we present DynamicUI, an agent designed for dynamic interfaces, which takes screen-recording videos of the interaction process as input and consists of three components: a dynamic perceiver, a refinement strategy, and a reflection. Specifically, the dynamic perceiver clusters frames of the GUI video, generates captions for the centroids, and iteratively selects the most informative frames as the salient dynamic context. Considering that there may be inconsistencies and noise between the selected frames and the textual context of the agent, the refinement strategy employs an action-conditioned filtering to refine thoughts to mitigate thought-action inconsistency and redundancy. Based on the refined agent trajectories, the reflection module provides effective and accurate guidance for further actions. Experiments on DynamicGUIBench demonstrate that DynamicUI significantly improves the performance in dynamic GUI environments, while maintaining competitive performance on other public benchmarks.

Progressive Approximation in Deep Residual Networks: Theory and Validation

The Universal Approximation Theorem (UAT) guarantees universal function approximation but does not explain how residual models distribute approximation across layers. We reframe residual networks as a layer-wise approximation process that builds an approximation trajectory from input to target, and prove the existence of progressive trajectories where error decreases monotonically with depth. It reveals that residual networks can implement structured, step-by-step refinement rather than end-to-end (E2E) black-box mapping. Building on this, we propose Layer-wise Progressive Approximation (LPA), a theoretically grounded training principle that explicitly aligns each layer with its residual target to realize such trajectories. LPA is architecture-agnostic: we observe progressive behavior in residual FNNs, ResNets, and Transformers across tasks including complex surface fitting, image classification, and NLP with LLMs for generation and classification. Crucially, this enables ``train once, use $N$ models": a single network yields useful predictions at every depth, supporting efficient shallow inference without retraining. Our work unifies approximation theory with practical deep learning, providing a new lens on representation learning and a flexible framework for multi-depth deployment. The source code will be released unpon acceptance at https://(open\_upon\_acceptance).

AutoGUI-v2: A Comprehensive Multi-Modal GUI Functionality Understanding Benchmark

Autonomous agents capable of navigating Graphical User Interfaces (GUIs) hold the potential to revolutionize digital productivity. However, achieving true digital autonomy extends beyond reactive element matching; it necessitates a predictive mental model of interface dynamics and the ability to foresee the "digital world state" resulting from interactions. Despite the perceptual capabilities of modern Vision-Language Models (VLMs), existing benchmarks remain bifurcated (focusing either on black-box task completion or static, shallow grounding), thereby failing to assess whether agents truly comprehend the implicit functionality and transition logic of GUIs. To bridge this gap, we introduce AutoGUI-v2, a comprehensive benchmark designed to evaluate deep GUI functionality understanding and interaction outcome prediction. We construct the benchmark using a novel VLM-human collaborative pipeline that recursively parses multi-platform screenshots into hierarchical functional regions to generate diverse evaluation tasks. Providing 2,753 tasks across six operating systems, AutoGUI-v2 rigorously tests agents on region and element-level semantics, grounding, and dynamic state prediction. Our evaluation reveals a striking dichotomy in VLMs: while open-source models fine-tuned on agent data (e.g., Qwen3-VL) excel at functional grounding, commercial models (e.g., Gemini-2.5-Pro-Thinking) dominate in functionality captioning. Crucially, all models struggle with complex interaction logic of uncommon actions, highlighting that deep functional understanding remains a significant hurdle. By systematically measuring these foundational capabilities, AutoGUI-v2 offers a new lens for advancing the next generation of GUI agents.

Mol-Debate: Multi-Agent Debate Improves Structural Reasoning in Molecular Design

Text-guided molecular design is a key capability for AI-driven drug discovery, yet it remains challenging to map sequential natural-language instructions with non-linear molecular structures under strict chemical constraints. Most existing approaches, including RAG, CoT prompting, and fine-tuning or RL, emphasize a small set of ad-hoc reasoning perspectives implemented in a largely one-shot generation pipeline. In contrast, real-world drug discovery relies on dynamic, multi-perspective critique and iterative refinement to reconcile semantic intent with structural feasibility. Motivated by this, we propose Mol-Debate, a generation paradigm that enables such dynamic reasoning through an iterative generate-debate-refine loop. We further characterize key challenges in this paradigm and address them through perspective-oriented orchestration, including developer-debater conflict, global-local structural reasoning, and static-dynamic integration. Experiments demonstrate that Mol-Debate achieves state-of-the-art performance against strong general and chemical baselines, reaching 59.82% exact match on ChEBI-20 and 50.52% weighted success rate on S$^2$-Bench. Our code is available at https://github.com/wyuzh/Mol-Debate.

Inductive Subgraphs as Shortcuts: Causal Disentanglement for Heterophilic Graph Learning

Heterophily is a prevalent property of real-world graphs and is well known to impair the performance of homophilic Graph Neural Networks (GNNs). Prior work has attempted to adapt GNNs to heterophilic graphs through non-local neighbor extension or architecture refinement. However, the fundamental reasons behind misclassifications remain poorly understood. In this work, we take a novel perspective by examining recurring inductive subgraphs, empirically and theoretically showing that they act as spurious shortcuts that mislead GNNs and reinforce non-causal correlations in heterophilic graphs. To address this, we adopt a causal inference perspective to analyze and correct the biased learning behavior induced by shortcut inductive subgraphs. We propose a debiased causal graph that explicitly blocks confounding and spillover paths responsible for these shortcuts. Guided by this causal graph, we introduce Causal Disentangled GNN (CD-GNN), a principled framework that disentangles spurious inductive subgraphs from true causal subgraphs by explicitly blocking non-causal paths. By focusing on genuine causal signals, CD-GNN substantially improves the robustness and accuracy of node classification in heterophilic graphs. Extensive experiments on real-world datasets not only validate our theoretical findings but also demonstrate that our proposed CD-GNN outperforms state-of-the-art heterophily-aware baselines.

ShadowPEFT: Shadow Network for Parameter-Efficient Fine-Tuning

Parameter-efficient fine-tuning (PEFT) reduces the training cost of full-parameter fine-tuning for large language models (LLMs) by training only a small set of task-specific parameters while freezing the pretrained backbone. However, existing approaches, such as Low-Rank Adaptation (LoRA), achieve adaptation by inserting independent low-rank perturbations directly to individual weights, resulting in a local parameterization of adaptation. We propose ShadowPEFT, a centralized PEFT framework that instead performs layer-level refinement through a depth-shared shadow module. At each transformer layer, ShadowPEFT maintains a parallel shadow state and evolves it repeatedly for progressively richer hidden states. This design shifts adaptation from distributed weight-space perturbations to a shared layer-space refinement process. Since the shadow module is decoupled from the backbone, it can be reused across depth, independently pretrained, and optionally deployed in a detached mode, benefiting edge computing scenarios. Experiments on generation and understanding benchmarks show that ShadowPEFT matches or outperforms LoRA and DoRA under comparable trainable-parameter budgets. Additional analyses on shadow pretraining, cross-dataset transfer, parameter scaling, inference latency, and system-level evaluation suggest that centralized layer-space adaptation is a competitive and flexible alternative to conventional low-rank PEFT.

DanceCrafter: Fine-Grained Text-Driven Controllable Dance Generation via Choreographic Syntax

Text-driven controllable dance generation remains under-explored, primarily due to the severe scarcity of high-quality datasets and the inherent difficulty of articulating complex choreographies. Characterizing dance is particularly challenging owing to its intricate spatial dynamics, strong directionality, and the highly decoupled movements of distinct body parts. To overcome these bottlenecks, we bridge principles from dance studies, human anatomy, and biomechanics to propose \textit{Choreographic Syntax}, a novel theoretical framework with a tailored annotation system. Grounded in this syntax, we combine professional dance archives with high-fidelity motion capture data to construct \textbf{DanceFlow}, the most fine-grained dance dataset to date. It encompasses 41 hours of high-quality motions paired with 6.34 million words of detailed descriptions. At the model level, we introduce \textbf{DanceCrafter}, a tailored motion transformer built upon the Momentum Human Rig. To circumvent optimization instabilities, we construct a continuous manifold motion representation paired with a hybrid normalization strategy. Furthermore, we design an anatomy-aware loss to explicitly regulate the decoupled nature of body parts. Together, these adaptations empower DanceCrafter to achieve the high-fidelity and stable generation of complex dance sequences. Extensive evaluations and user studies demonstrate our state-of-the-art performance in motion quality, fine-grained controllability, and generation naturalness.

Securing Retrieval-Augmented Generation: A Taxonomy of Attacks, Defenses, and Future Directions

Retrieval-augmented generation (RAG) significantly enhances large language models (LLMs) but introduces novel security risks through external knowledge access. While existing studies cover various RAG vulnerabilities, they often conflate inherent LLM risks with those specifically introduced by RAG. In this paper, we propose that secure RAG is fundamentally about the security of the external knowledge-access pipeline. We establish an operational boundary to separate inherent LLM flaws from RAG-introduced or RAG-amplified threats. Guided by this perspective, we abstract the RAG workflow into six stages and organize the literature around three trust boundaries and four primary security surfaces, including pre-retrieval knowledge corruption, retrieval-time access manipulation, downstream context exploitation, and knowledge exfiltration. By systematically reviewing the corresponding attacks, defenses, remediation mechanisms, and evaluation benchmarks, we reveal that current defenses remain largely reactive and fragmented. Finally, we discuss these gaps and highlight future directions toward layered, boundary-aware protection across the entire knowledge-access lifecycle.