arXiv:2602.19225v1 Announce Type: new Abstract: Multi-turn LLM agents are becoming pivotal to production systems, spanning customer service automation, e-commerce assistance, and interactive task management, where accurately distinguishing high-value informative signals from stochastic noise is critical for sample-efficient training. In real-world scenarios, a failure in a trivial task may reflect random instability, whereas success in a high-difficulty task signifies a genuine capability breakthrough. Yet, existing group-based policy optimization methods rigidly rely on statistical deviation within discrete batches, frequently misallocating credit when task difficulty fluctuates. To address this issue, we propose Proximity-based Multi-turn Optimization (ProxMO), a practical and robust framework engineered specifically for the constraints of real-world deployment. ProxMO integrates global context via two lightweight mechanisms: success-rate-aware modulation dynamically adapts gradient intensity based on episode-level difficulty, while proximity-based soft aggregation derives baselines through continuous semantic weighting at the step level. Extensive evaluations on ALFWorld and WebShop benchmarks demonstrate that ProxMO yields substantial performance gains over existing baselines with negligible computational cost. Ablation studies further validate the independent and synergistic efficacy of both mechanisms. Crucially, ProxMO offers plug-and-play compatibility with standard GRPO frameworks, facilitating immediate, low-friction adoption in existing industrial training pipelines. Our implementation is available at: \href{https://anonymous.4open.science/r/proxmo-B7E7/README.md}{https://anonymous.4open.science/r/proxmo}.

arXiv:2602.18464v1 Announce Type: cross Abstract: A growing body of research assumes that large language model (LLM) agents can serve as proxies for how people form attitudes toward and behave in response to security and privacy (S&P) threats. If correct, these simulations could offer a scalable way to forecast S&P risks in products prior to deployment. We interrogate this assumption using SP-ABCBench, a new benchmark of 30 tests derived from validated S&P human-subject studies, which measures alignment between simulations and human-subjects studies on a 0-100 ascending scale, where higher scores indicate better alignment across three dimensions: Attitude, Behavior, and Coherence. Evaluating twelve LLMs, four persona construction strategies, and two prompting methods, we found that there remains substantial room for improvement: all models score between 50 and 64 on average. Newer, bigger, and smarter models do not reliably do better and sometimes do worse. Some simulation configurations, however, do yield high alignment: e.g., with scores above 95 for some behavior tests when agents are prompted to apply bounded rationality and weigh privacy costs against perceived benefits. We release SP-ABCBench to enable reproducible evaluation as methods improve.

arXiv:2602.18515v1 Announce Type: cross Abstract: Partial differential equations (PDEs) form a central component of scientific computing. Among recent advances in deep learning, evolutionary neural networks have been developed to successively capture the temporal dynamics of time-dependent PDEs via parameter evolution. The parameter updates are obtained by solving a linear system derived from the governing equation residuals at each time step. However, strong-form evolutionary approaches can yield ill-conditioned linear systems due to pointwise residual discretization, and their computational cost scales unfavorably with the number of training samples. To address these limitations, we propose a weak-form evolutionary Kolmogorov-Arnold Network (KAN) for the scalable and accurate prediction of PDE solutions. We decouple the linear system size from the number of training samples through the weak formulation, leading to improved scalability compared to strong-form approaches. We also rigorously enforce boundary conditions by constructing the trial space with boundary-constrained KANs to satisfy Dirichlet and periodic conditions, and by incorporating derivative boundary conditions directly into the weak formulation for Neumann conditions. In conclusion, the proposed weak-form evolutionary KAN framework provides a stable and scalable approach for PDEs and contributes to scientific machine learning with potential relevance to future engineering applications.

arXiv:2602.18532v1 Announce Type: cross Abstract: Following the rise of large foundation models, Vision-Language-Action models (VLAs) emerged, leveraging strong visual and language understanding for general-purpose policy learning. Yet, the current VLA landscape remains fragmented and exploratory. Although many groups have proposed their own VLA models, inconsistencies in training protocols and evaluation settings make it difficult to identify which design choices truly matter. To bring structure to this evolving space, we reexamine the VLA design space under a unified framework and evaluation setup. Starting from a simple VLA baseline similar to RT-2 and OpenVLA, we systematically dissect design choices along three dimensions: foundational components, perception essentials, and action modelling perspectives. From this study, we distill 12 key findings that together form a practical recipe for building strong VLA models. The outcome of this exploration is a simple yet effective model, VLANeXt. VLANeXt outperforms prior state-of-the-art methods on the LIBERO and LIBERO-plus benchmarks and demonstrates strong generalization in real-world experiments. We will release a unified, easy-to-use codebase that serves as a common platform for the community to reproduce our findings, explore the design space, and build new VLA variants on top of a shared foundation.

arXiv:2602.18740v1 Announce Type: cross Abstract: This study presents a hierarchical, network-level traffic flow control framework for mixed traffic consisting of Human-driven Vehicles (HVs), Connected and Automated Vehicles (CAVs). The framework jointly optimizes vehicle-level eco-driving behaviors and intersection-level traffic signal control to enhance overall network efficiency and decrease energy consumption. A decentralized Multi-Agent Reinforcement Learning (MARL) approach by Value Decomposition Network (VDN) manages cycle-based traffic signal control (TSC) at intersections, while an innovative Signal Phase and Timing (SPaT) prediction method integrates a Machine Learning-based Trajectory Planning Algorithm (MLTPA) to guide CAVs in executing Eco-Approach and Departure (EAD) maneuvers. The framework is evaluated across varying CAV proportions and powertrain types to assess its effects on mobility and energy performance. Experimental results conducted in a 4*4 real-world network demonstrate that the MARL-based TSC method outperforms the baseline model (i.e., Webster method) in speed, fuel consumption, and idling time. In addition, with MLTPA, HONEST-CAV benefits the traffic system further in energy consumption and idling time. With a 60% CAV proportion, vehicle average speed, fuel consumption, and idling time can be improved/saved by 7.67%, 10.23%, and 45.83% compared with the baseline. Furthermore, discussions on CAV proportions and powertrain types are conducted to quantify the performance of the proposed method with the impact of automation and electrification.

arXiv:2602.18920v1 Announce Type: cross Abstract: The application of Large Language Models (LLMs) in accelerating scientific discovery has garnered increasing attention, with a key focus on constructing research agents endowed with innovative capability, i.e., the ability to autonomously generate novel and significant research ideas. Existing approaches predominantly rely on sophisticated prompt engineering and lack a systematic training paradigm. To address this, we propose DeepInnovator, a training framework designed to trigger the innovative capability of LLMs. Our approach comprises two core components. (1) ``Standing on the shoulders of giants''. We construct an automated data extraction pipeline to extract and organize structured research knowledge from a vast corpus of unlabeled scientific literature. (2) ``Conjectures and refutations''. We introduce a ``Next Idea Prediction'' training paradigm, which models the generation of research ideas as an iterative process of continuously predicting, evaluating, and refining plausible and novel next idea. Both automatic and expert evaluations demonstrate that our DeepInnovator-14B significantly outperforms untrained baselines, achieving win rates of 80.53\%-93.81\%, and attains performance comparable to that of current leading LLMs. This work provides a scalable training pathway toward building research agents with genuine, originative innovative capability, and will open-source the dataset to foster community advancement. Source code and data are available at: https://github.com/HKUDS/DeepInnovator.

arXiv:2602.19171v1 Announce Type: cross Abstract: Parametric computer-aided design (CAD) modeling is fundamental to industrial design, but existing datasets often lack explicit geometric constraints and fine-grained functional semantics, limiting editable, constraint-compliant generation. We present HistCAD, a large-scale dataset featuring constraint-aware modeling sequences that compactly represent procedural operations while ensuring compatibility with native CAD software, encompassing five aligned modalities: modeling sequences, multi-view renderings, STEP-format B-reps, native parametric files, and textual annotations. We develop AM\(_\text{HistCAD}\), an annotation module that extracts geometric and spatial features from modeling sequences and uses a large language model to generate complementary annotations of the modeling process, geometric structure, and functional type. Extensive evaluations demonstrate that HistCAD's explicit constraints, flattened sequence format, and multi-type annotations improve robustness, parametric editability, and accuracy in text-driven CAD generation, while industrial parts included in HistCAD further support complex real-world design scenarios. HistCAD thus provides a unified benchmark for advancing editable, constraint-aware, and semantically enriched generative CAD modeling.

arXiv:2602.19271v1 Announce Type: cross Abstract: Second-order optimizers can significantly accelerate large-scale training, yet their naive federated variants are often unstable or even diverge on non-IID data. We show that a key culprit is \emph{preconditioner drift}: client-side second-order training induces heterogeneous \emph{curvature-defined geometries} (i.e., preconditioner coordinate systems), and server-side model averaging updates computed under incompatible metrics, corrupting the global descent direction. To address this geometric mismatch, we propose \texttt{FedPAC}, a \emph{preconditioner alignment and correction} framework for reliable federated second-order optimization. \texttt{FedPAC} explicitly decouples parameter aggregation from geometry synchronization by: (i) \textbf{Alignment} (i.e.,aggregating local preconditioners into a global reference and warm-starting clients via global preconditioner); and (ii) \textbf{Correction} (i.e., steering local preconditioned updates using a global preconditioned direction to suppress long-term drift). We provide drift-coupled non-convex convergence guarantees with linear speedup under partial participation. Empirically, \texttt{FedPAC} consistently improves stability and accuracy across vision and language tasks, achieving up to $5.8\%$ absolute accuracy gain on CIFAR-100 with ViTs. Code is available at https://anonymous.4open.science/r/FedPAC-8B24.

arXiv:2602.19569v1 Announce Type: cross Abstract: Question Answering over Temporal Knowledge Graphs (TKGQA) has attracted growing interest for handling time-sensitive queries. However, existing methods still struggle with: 1) weak incorporation of temporal constraints in question representation, causing biased reasoning; 2) limited ability to perform explicit multi-hop reasoning; and 3) suboptimal fusion of language and graph representations. We propose a novel framework with temporal-aware question encoding, multi-hop graph reasoning, and multi-view heterogeneous information fusion. Specifically, our approach introduces: 1) a constraint-aware question representation that combines semantic cues from language models with temporal entity dynamics; 2) a temporal-aware graph neural network for explicit multi-hop reasoning via time-aware message passing; and 3) a multi-view attention mechanism for more effective fusion of question context and temporal graph knowledge. Experiments on multiple TKGQA benchmarks demonstrate consistent improvements over multiple baselines.

arXiv:2602.19926v1 Announce Type: cross Abstract: Fine-tuning large vision models (LVMs) and large language models (LLMs) under differentially private federated learning (DPFL) is hindered by a fundamental privacy-utility trade-off. Low-Rank Adaptation (LoRA), a promising parameter-efficient fine-tuning (PEFT) method, reduces computational and communication costs by introducing two trainable low-rank matrices while freezing pre-trained weights. However, directly applying LoRA in DPFL settings leads to performance degradation, especially in LVMs. Our analysis reveals three previously underexplored challenges: (1) gradient coupling caused by the simultaneous update of two asymmetric low-rank matrices, (2) compounded noise amplification under differential privacy, and (3) sharpness of the global aggregated model in the parameter space. To address these issues, we propose LA-LoRA (\textbf{L}ocal \textbf{A}lternating \textbf{LoRA}), a novel approach that decouples gradient interactions and aligns update directions across clients to enhance robustness under stringent privacy constraints. Theoretically, LA-LoRA strengthens convergence guarantees in noisy federated environments. Extensive experiments demonstrate that LA-LoRA achieves state-of-the-art (SOTA) performance on Swin Transformer and RoBERTa models, showcasing robustness to DP noise and broad applicability across both LVMs and LLMs. For example, when fine-tuning the Swin-B model on the Tiny-ImageNet dataset under a strict privacy budget ($\epsilon = 1$), LA-LoRA outperforms the best baseline, RoLoRA, by 16.83\% in test accuracy. Code is provided in \repolink.

arXiv:2602.19945v1 Announce Type: cross Abstract: Balancing convergence efficiency and robustness under Differential Privacy (DP) is a central challenge in Federated Learning (FL). While AdamW accelerates training and fine-tuning in large-scale models, we find that directly applying it to Differentially Private FL (DPFL) suffers from three major issues: (i) data heterogeneity and privacy noise jointly amplify the variance of second-moment estimator, (ii) DP perturbations bias the second-moment estimator, and (iii) DP amplify AdamW sensitivity to local overfitting, worsening client drift. We propose DP-FedAdamW, the first AdamW-based optimizer for DPFL. It restores AdamW under DP by stabilizing second-moment variance, removing DP-induced bias, and aligning local updates to the global descent to curb client drift. Theoretically, we establish an unbiased second-moment estimator and prove a linearly accelerated convergence rate without any heterogeneity assumption, while providing tighter $(\varepsilon,\delta)$-DP guarantees. Our empirical results demonstrate the effectiveness of DP-FedAdamW across language and vision Transformers and ResNet-18. On Tiny-ImageNet (Swin-Base, $\varepsilon=1$), DP-FedAdamW outperforms the state-of-the-art (SOTA) by 5.83\%. The code is available in Appendix.

arXiv:2602.20078v1 Announce Type: cross Abstract: Scaling cooperative multi-agent reinforcement learning (MARL) is fundamentally limited by cross-agent noise: when agents share a common reward, the actions of all $N$ agents jointly determine each agent's learning signal, so cross-agent noise grows with $N$. In the policy gradient setting, per-agent gradient estimate variance scales as $\Theta(N)$, yielding sample complexity $\mathcal{O}(N/\epsilon)$. We observe that many domains -- cloud computing, transportation, power systems -- have differentiable analytical models that prescribe efficient system states. In this work, we propose Descent-Guided Policy Gradient (DG-PG), a framework that constructs noise-free per-agent guidance gradients from these analytical models, decoupling each agent's gradient from the actions of all others. We prove that DG-PG reduces gradient variance from $\Theta(N)$ to $\mathcal{O}(1)$, preserves the equilibria of the cooperative game, and achieves agent-independent sample complexity $\mathcal{O}(1/\epsilon)$. On a heterogeneous cloud scheduling task with up to 200 agents, DG-PG converges within 10 episodes at every tested scale -- from $N=5$ to $N=200$ -- directly confirming the predicted scale-invariant complexity, while MAPPO and IPPO fail to converge under identical architectures.

arXiv:2602.20159v1 Announce Type: cross Abstract: Rapid progress in video models has largely focused on visual quality, leaving their reasoning capabilities underexplored. Video reasoning grounds intelligence in spatiotemporally consistent visual environments that go beyond what text can naturally capture, enabling intuitive reasoning over spatiotemporal structure such as continuity, interaction, and causality. However, systematically studying video reasoning and its scaling behavior is hindered by the lack of large-scale training data. To address this gap, we introduce the Very Big Video Reasoning (VBVR) Dataset, an unprecedentedly large-scale resource spanning 200 curated reasoning tasks following a principled taxonomy and over one million video clips, approximately three orders of magnitude larger than existing datasets. We further present VBVR-Bench, a verifiable evaluation framework that moves beyond model-based judging by incorporating rule-based, human-aligned scorers, enabling reproducible and interpretable diagnosis of video reasoning capabilities. Leveraging the VBVR suite, we conduct one of the first large-scale scaling studies of video reasoning and observe early signs of emergent generalization to unseen reasoning tasks. Together, VBVR lays a foundation for the next stage of research in generalizable video reasoning. The data, benchmark toolkit, and models are publicly available at https://video-reason.com/ .

arXiv:2602.14135v3 Announce Type: replace Abstract: Rapidly evolving AI exhibits increasingly strong autonomy and goal-directed capabilities, accompanied by derivative systemic risks that are more unpredictable, difficult to control, and potentially irreversible. However, current AI safety evaluation systems suffer from critical limitations such as restricted risk dimensions and failed frontier risk detection. The lagging safety benchmarks and alignment technologies can hardly address the complex challenges posed by cutting-edge AI models. To bridge this gap, we propose the "ForesightSafety Bench" AI Safety Evaluation Framework, beginning with 7 major Fundamental Safety pillars and progressively extends to advanced Embodied AI Safety, AI4Science Safety, Social and Environmental AI risks, Catastrophic and Existential Risks, as well as 8 critical industrial safety domains, forming a total of 94 refined risk dimensions. To date, the benchmark has accumulated tens of thousands of structured risk data points and assessment results, establishing a widely encompassing, hierarchically clear, and dynamically evolving AI safety evaluation framework. Based on this benchmark, we conduct systematic evaluation and in-depth analysis of over twenty mainstream advanced large models, identifying key risk patterns and their capability boundaries. The safety capability evaluation results reveals the widespread safety vulnerabilities of frontier AI across multiple pillars, particularly focusing on Risky Agentic Autonomy, AI4Science Safety, Embodied AI Safety, Social AI Safety and Catastrophic and Existential Risks. Our benchmark is released at https://github.com/Beijing-AISI/ForesightSafety-Bench. The project website is available at https://foresightsafety-bench.beijing-aisi.ac.cn/.

arXiv:2602.17560v2 Announce Type: replace Abstract: Activation steering, or representation engineering, offers a lightweight approach to align large language models (LLMs) by manipulating their internal activations at inference time. However, current methods suffer from two key limitations: (i) the lack of a unified theoretical framework for guiding the design of steering directions, and (ii) an over-reliance on one-step steering that fail to capture complex patterns of activation distributions. In this work, we propose a unified ordinary differential equations (ODEs)-based theoretical framework for activation steering in LLM alignment. We show that conventional activation addition can be interpreted as a first-order approximation to the solution of an ODE. Based on this ODE perspective, identifying a steering direction becomes equivalent to designing a barrier function from control theory. Derived from this framework, we introduce ODESteer, a kind of ODE-based steering guided by barrier functions, which shows empirical advancement in LLM alignment. ODESteer identifies steering directions by defining the barrier function as the log-density ratio between positive and negative activations, and employs it to construct an ODE for multi-step and adaptive steering. Compared to state-of-the-art activation steering methods, ODESteer achieves consistent empirical improvements on diverse LLM alignment benchmarks, a notable $5.7\%$ improvement over TruthfulQA, $2.5\%$ over UltraFeedback, and $2.4\%$ over RealToxicityPrompts. Our work establishes a principled new view of activation steering in LLM alignment by unifying its theoretical foundations via ODEs, and validating it empirically through the proposed ODESteer method.

arXiv:2412.17596v4 Announce Type: replace-cross Abstract: While Large Language Models (LLMs) demonstrate remarkable capabilities in scientific tasks such as literature analysis and experimental design (e.g., accurately extracting key findings from papers or generating coherent experimental procedures), existing evaluation benchmarks primarily assess performance using rich contextual inputs. We introduce LiveIdeaBench, a comprehensive benchmark evaluating LLMs' scientific idea generation by assessing divergent thinking capabilities using single-keyword prompts. Drawing from Guilford's creativity theory, our benchmark employs a dynamic panel of state-of-the-art LLMs to assess generated ideas across five key dimensions: originality, feasibility, fluency, flexibility, and clarity. Through extensive experimentation with over 40 leading models across 1,180 keywords spanning 22 scientific domains, we reveal that the scientific idea generation capabilities measured by our benchmark, are poorly predicted by standard metrics of general intelligence. Our results demonstrate that models like QwQ-32B-preview achieve creative performance comparable to top-tier models such as claude-3.7-sonnet:thinking, despite significant gaps in their general intelligence scores. These findings highlight the need for specialized evaluation benchmarks for scientific idea generation and suggest that enhancing these idea generation capabilities in LLMs may require different training strategies than those used for improving general problem-solving abilities, potentially enabling a wider range of AI tools tailored for different stages of the scientific process.

arXiv:2501.00773v2 Announce Type: replace-cross Abstract: Graphs are fundamental data structures for modeling complex interactions in domains such as social networks, molecular structures, and biological systems. Graph-level tasks, which involve predicting properties or labels for entire graphs, are crucial for applications like molecular property prediction and subgraph counting. While Graph Neural Networks (GNNs) have shown significant promise for these tasks, their evaluations are often limited by narrow datasets, task coverage, and inconsistent experimental setups, hindering their generalizability. In this paper, we present a comprehensive experimental study of GNNs on graph-level tasks, systematically categorizing them into five types: node-based, hierarchical pooling-based, subgraph-based, graph learning-based, and self-supervised learning-based GNNs. To address these challenges, we propose a unified evaluation framework OpenGLT for graph-level GNNs. OpenGLT standardizes the evaluation process across diverse datasets, multiple graph tasks (e.g., classification and regression), and real-world scenarios, including noisy, imbalanced, and few-shot graphs. Extensive experiments are conducted on 16 baseline models across five categories, evaluated on 13 graph classification and 13 graph regression datasets. These experiments provide comprehensive insights into the strengths and weaknesses of existing GNN architectures.

arXiv:2502.05795v5 Announce Type: replace-cross Abstract: In this paper, we introduce the Curse of Depth, a concept that highlights, explains, and addresses the recent observation in modern Large Language Models (LLMs) where nearly half of the layers are less effective than expected. We first confirm the wide existence of this phenomenon across the most popular families of LLMs such as Llama, Mistral, DeepSeek, and Qwen. Our analysis, theoretically and empirically, identifies that the underlying reason for the ineffectiveness of deep layers in LLMs is the widespread usage of Pre-Layer Normalization (Pre-LN). While Pre-LN stabilizes the training of Transformer LLMs, its output variance exponentially grows with the model depth, which undesirably causes the derivative of the deep Transformer blocks to be an identity matrix, and therefore barely contributes to the training. To resolve this training pitfall, we propose LayerNorm Scaling (LNS), which scales the variance of output of the layer normalization inversely by the square root of its depth. This simple modification mitigates the output variance explosion of deeper Transformer layers, improving their contribution. Across a wide range of model sizes (130M to 7B), our experiments show that LNS consistently outperforms previous normalization and scaling techniques in enhancing LLM pre-training performance. Moreover, this improvement seamlessly carries over to supervised fine-tuning. All these gains can be attributed to the fact that LayerNorm Scaling enables deeper layers to contribute more effectively during training. Our code is available at \href{https://github.com/lmsdss/LayerNorm-Scaling}{LayerNorm-Scaling}.

arXiv:2506.08604v4 Announce Type: replace-cross Abstract: Physics-constrained generative modeling aims to produce high-dimensional samples that are both physically consistent and distributionally accurate, a task that remains challenging due to often conflicting optimization objectives. Recent advances in flow matching and diffusion models have enabled efficient generative modeling, but integrating physical constraints often degrades generative fidelity or requires costly inference-time corrections. Our work is the first to recognize the trade-off between distributional and physical accuracy. Based on the insight of inherently conflicting objectives, we introduce Physics-Based Flow Matching (PBFM) a method that enforces physical constraints at training time using conflict-free gradient updates and unrolling to mitigate Jensen's gap. Our approach avoids manual loss balancing and enables simultaneous optimization of generative and physical objectives. As a consequence, physics constraints do not impede inference performance. We benchmark our method across three representative PDE benchmarks. PBFM achieves a Pareto-optimal trade-off, competitive inference speed, and generalizes to a wide range of physics-constrained generative tasks, providing a practical tool for scientific machine learning. Code and datasets available at https://github.com/tum-pbs/PBFM.

arXiv:2508.02066v2 Announce Type: replace-cross Abstract: Large Language Models (LLMs) have shown impressive performance across various domains, but their ability to perform molecular reasoning remains underexplored. Existing methods mostly rely on general-purpose prompting, which lacks domain-specific molecular semantics, or fine-tuning, which faces challenges in interpretability and reasoning depth, often leading to structural and textual hallucinations. To address these issues, we introduce MolReasoner, a two-stage framework that transitions LLMs from memorization to high-fidelity chemical reasoning. In the Mol-SFT stage, knowledge-enhanced Chain-of-Thought (CoT) data provides a strong foundation, while the Mol-RL stage refines reasoning using a novel, task-adaptive reward system to mitigate hallucinations. Extensive evaluations demonstrate that MolReasoner significantly outperforms a wide range of strong baselines in both molecule generation and captioning tasks. Further analyses highlight the framework's synergistic design and its ability to produce more interpretable outputs. Our work presents a principled and effective new approach for advancing high-fidelity molecular reasoning.