Academic Intelligence · Curated Daily

探索全球前沿学术脉络

AcademicHub 汇聚顶级期刊与预印本平台的实时文献。定制您的专属科研雷达,利用大语言模型自动生成交叉领域文献分析简报。

01.
arXiv (CS.LG) 2026-06-19

Flow Matching for Efficient and Scalable Data Assimilation

arXiv:2508.13313v4 Announce Type: replace-cross Abstract: Data assimilation (DA) estimates a dynamical system's state from noisy observations. Recent generative models like the ensemble score filter (EnSF) improve DA in high-dimensional nonlinear settings but are computationally expensive. We introduce the ensemble flow filter (EnFF), a training-free, flow matching (FM)-based framework that accelerates sampling and offers flexibility in flow design. EnFF uses Monte Carlo estimators for the marginal flow field, localized guidance for observation assimilation, and utilizes a novel flow path that exploits the Bayesian DA formulation. It generalizes classical filters such as the bootstrap particle filter and ensemble Kalman filter. Experiments on high-dimensional benchmarks demonstrate EnFF's improved cost-accuracy tradeoffs and scalability, highlighting FM's potential for efficient, scalable DA. Code is available at https://github.com/Utah-Math-Data-Science/Data-Assimilation-Flow-Matching.

02.
arXiv (CS.LG) 2026-06-19

The Significance of Style Diversity in Annotation-Free Synthetic Data Generation

arXiv:2606.20400v1 Announce Type: new Abstract: Generating high-utility synthetic data for intent classification typically requires human-annotated seed data, which is often unavailable in fast-paced industrial settings. In this paper, we propose a framework for synthetic dialogue generation that works entirely without human-annotated data, relying solely on intent definitions. Our proposed dialogue generation framework utilizes two different types of topic and style attributes to improve data diversity. Also, we propose two novel post-hoc stylization models called Univ and Exam to transform synthetic LLM-generated utterances into more varied, human-like linguistic styles. To enhance data quality, we utilize an LLM-as-a-judge filtering process. Experimental results on both industrial and public datasets demonstrate that the proposed approach achieves up to 93.3% of the performance obtained using human-annotated training data. Crucially, the findings reveal that style diversity is more critical than topic diversity for synthetic data utility, as it prevents models from learning spurious stylistic correlations. Furthermore, the study shows that incorporating style attributes during the generation process is more effective than post-hoc style adaptation.

03.
arXiv (CS.AI) 2026-06-12

SCALE: Self-uncertainty Conditioned Adaptive Looking and Execution for Vision-Language-Action Models

arXiv:2602.04208v2 Announce Type: replace-cross Abstract: Vision-Language-Action (VLA) models have emerged as a promising paradigm for general-purpose robotic control, with test-time scaling (TTS) gaining attention to enhance robustness beyond training. However, existing TTS methods for VLAs require additional training, verifiers, and multiple forward passes, making them impractical for deployment. Moreover, they intervene only at action decoding while keeping visual representations fixed-insufficient under perceptual ambiguity, where reconsidering how to perceive is as important as deciding what to do. To address these limitations, we propose SCALE, a simple inference strategy that jointly modulates visual perception and action based on 'self-uncertainty', inspired by uncertainty-driven exploration in Active Inference theory-requiring no additional training, no verifier, and only a single forward pass. SCALE broadens exploration in both perception and action under high uncertainty, while focusing on exploitation when confident-enabling adaptive execution across varying conditions. Experiments on simulated and real-world benchmarks demonstrate that SCALE improves state-of-the-art VLAs and outperforms existing TTS methods while maintaining single-pass efficiency.

04.
arXiv (CS.CL) 2026-06-16

GRACE-DS: a Guarded Reward-guided Agent Correction Environment in Data Science

We introduce GRACE-DS, a Guarded Reward-guided Agent Correction Environment in Data Science for pre-deployment evaluation of LLM-powered AutoML agents. GRACE-DS is a set of evaluation metrics in an isolated environment that can be applied to tabular ML tasks specific to a particular organization. It exposes agents to realistic workflow stages, from planning and data inspection through feature engineering, model development, validation, and code repair to final submission, while hidden executable validators measure not only final predictive performance but also leakage avoidance, reproducibility, protocol validity, correction behavior, and reward alignment. The strongest structured regime, flexible iterative interaction (our approach), achieves higher end-to-end normalized hidden-test quality than single-shot generation, unstructured interaction, and restart-based baselines, while also improving protocol-valid completion. Validated across more than 7,000 episodes, these results establish GRACE-DS as a robust platform for assessing the capacity of LLM-based AutoML agents to execute machine learning workflows under production-like conditions and in accordance with organization-specific requirements.

05.
arXiv (CS.LG) 2026-06-11

NetBurst: Event-Centric Forecasting of Bursty, Intermittent Time Series

arXiv:2510.22397v2 Announce Type: replace-cross Abstract: Network operators monitor their infrastructure by collecting telemetry data such as packet counts, byte rates, or flow volumes, yet answering the questions that effective operations demand – forecasting future load, diagnosing and characterizing anomalies, and searching for and retrieving historical precedents – requires more than raw measurements. Bridging this gap calls for learned representations: compact per-entity summaries that capture temporal dynamics from each entity's univariate time series. Time-series foundation models are the natural starting point, but they are designed for dense, periodic benchmark datasets – the mild statistical regime. However, network telemetry data inhabits the wild regime: operationally relevant events are rare, separated by variable-length stretches of low or no activity (``ebbs''), with intermittent bursts of heavy-tailed extremes (``tides''). We present NetBurst, an event-centric pipeline that collapses ebbs, separates each time series into a stream of burst timings and a stream of burst magnitudes, and learns a single representation serving all three operational tasks. Compared to the strongest competitors among eight baselines – including Amazon's Chronos-2 and Datadog's Toto – and across nine production telemetry configurations, NetBurst reduces median forecasting error by $1.3$–$116\times$ on wild-regime data with a $1.0$–$7.5\times$ better match to the true burst distribution, and matches baselines on mild-regime benchmarks. For characterizing anomalies, NetBurst produces balanced, well-spread clusters that are $16\times$ more describable in operator-familiar terms under a novel interpretability score, and cluster-filtered search delivers $7.5\times$ faster end-to-end retrieval.

06.
arXiv (quant-ph) 2026-06-12

New bounds on private simultaneous quantum message passing

arXiv:2606.12557v1 Announce Type: new Abstract: In the private simultaneous message (PSM) setting, $k$ players obtain inputs $x_i\in\{0,1\}^n$ and then each send messages to a referee, who should learn $f(x_1,...,x_k)$ but no other information about $(x_1,...,x_k)$. The PSM setting was introduced as a minimal model for secure multiparty computation and has connections to Boolean function complexity. In the quantum setting, PSM has been related to non-local quantum computation (NLQC). The communication and correlation cost of implementing PSM remains poorly understood. Here, we give new upper and lower bounds on the (quantum) PSM model. For lower bounds, we show: 1) Nečiporuk's measure lower bounds the entanglement required for $k$-player quantum PSM with perfect correctness. This leads to quadratic lower bounds for explicit functions. 2) The rank of the communication matrix of $f(x_1,x_2)$ lower bounds 2-player quantum PSM with perfect privacy but imperfect correctness. This implies a previously unknown lower bound on classical PSM with imperfect correctness. When allowing quantum communication and shared entanglement, these are the first lower bounds on quantum PSM that make use of the privacy condition. For upper bounds, we show: 1) Letting $s$ be the size of a quantum circuit computing $f$, $d_f$ be the circuit depth, $k$ the number of players, $n$ the number of bits received by each player, and $\epsilon$ a correctness parameter, we obtain $\mathsf{PSM}_k^*(f) \leq (kn +s) \cdot \log^{O(d_f)}(s/\epsilon)$. 2) The square of the Fourier 1 norm of $f$, $\Vert \hat{f}\Vert_1^2$, upper bounds the classical PSM complexity, $\mathsf{PSM}(f)\leq O(\Vert \hat{f} \Vert^2_1)$. In proving the first upper bound, we generalize existing $T$-depth based techniques for NLQC from $2$ to $k\geq 2$ parties, and consider cases where the Clifford layers are restricted to having small light cones.

07.
arXiv (CS.AI) 2026-06-18

Vibe Coding Ate My Homework: An evaluation of AI approaches to greenfield software engineering and programming

arXiv:2606.18293v1 Announce Type: cross Abstract: Thanks to rapid developments in generative AI, we are in the midst of a paradigm shift that may change how we interact with computers forever. We have observed a growth in the use of natural language prompts to build applications and coding infrastructures without underlying knowledge of the field, and this practice has been dubbed `vibe coding.' It arguably represents what the field of programming has been building towards since the beginning, with every higher level of abstraction that is conceived. Vibe coding promises to be the endpoint for the meta of high-level programming as far as method of input is concerned: eliminating a human's use of code syntax entirely in favour of programming in their mother tongue. This paper aims to evaluate the viability of vibe coding for greenfield software engineering tasks, as well as analyse the benchmarks that have been used to measure its software engineering prowess. To this end, we have developed an evaluation suite for analysing an LLM's proficiency in carrying out simple, isolated greenfield programming tasks in Python to provide scoped insight on the matter.

08.
arXiv (quant-ph) 2026-06-11

A semi-definite programming formulation of the device-dependent guessing probability

arXiv:2606.12079v1 Announce Type: new Abstract: In quantum mechanics, a measurement applied to a state in general produces some amount of intrinsic randomness. This is not only a fundamental feature of the theory, but is also at the basis of any quantum process to generate random numbers. The simplest of such processes consists of a single, fully charaterized, measurement acting on a single, fully characterized, state. Unfortunately, no general method to estimate the intrinsic randomness produced in such setups is known. In this work, we address this issue by presenting a semidefinite programming formulation of the maximum probability with which an adversary, Eve, can guess the outcomes of characterized but untrusted prepare-and-measure setups. We then present several applications of this construction. First, we apply our method to a variety of specific setups, allowing us both to benchmark the approach and, more importantly, to determine the exact amount of certifiable randomness in scenarios where only upper bounds were previously available. Then, we show that the presence of entanglement between the device preparing the state and the measurement strictly increases Eve's predictive power, already in the most elementary setup of a binary measurement acting on a qubit state.

09.
arXiv (quant-ph) 2026-06-16

Phase controlled spectral topology, dynamic stability and sensitivity in Non-Hermitian Cavity Magnonics

arXiv:2606.16522v1 Announce Type: new Abstract: We theoretically investigate a non-Hermitian cavity-magnon platform in which coherent photonmagnon interactions and reservoir-mediated dissipative coupling interfere through a single externally tunable phase. We show that this interference phase provides a universal control parameter that continuously rotates the effective coupling between Hermitian and anti-Hermitian regimes, enabling dynamic transitions between level repulsion and level attraction without modifying intrinsic system parameters. The resulting phase-controlled non-Hermitian topology gives rise to exceptional points, linewidth engineering, and zero-damping conditions. Owing to the propagation-direction dependence of the dissipative interaction, the system further exhibits strong nonreciprocal transport and phase-tunable isolation arising from asymmetric hybridization of the cavity and magnon modes. Beyond its spectral and transport properties, we establish a direct connection between nonHermitian spectral topology and nonequilibrium population dynamics. The interference phase governs the stability of the hybrid modes, driving transitions between stable relaxation, critical slowing down near exceptional points, oscillatory energy exchange, and exponentially amplified dynamics. We further demonstrate that the same phase-controlled exceptional topology can be exploited for enhanced sensing, where the eigenvalue response exhibits the characteristic square-root scaling associated with exceptional-point physics. Our results provide a unified framework linking spectral topology, directional transport, dynamical stability, and sensing functionality through reservoirengineered interference in cavity magnonic systems.

10.
arXiv (CS.CL) 2026-06-15

Large Language Model Agents Are Not Always Faithful Self-Evolvers

Self-evolving large language model (LLM) agents continually improve by accumulating and reusing past experience, yet it remains unclear whether they faithfully rely on that experience to guide their behavior. We present the first systematic investigation of experience faithfulness, the causal dependence of an agent's decisions on the experience it is given, in self-evolving LLM agents. Using controlled causal interventions on both raw and condensed forms of experience, we comprehensively evaluate four representative frameworks across 13 LLM backbones and 9 environments. Our analysis uncovers a striking asymmetry: while agents consistently depend on raw experience, they often disregard or misinterpret condensed experience, even when it is the only experience provided. This gap persists across single- and multi-agent configurations and across backbone scales. We trace its underlying causes to three factors: the semantic limitations of condensed content, internal processing biases that suppress experience, and task regimes where pretrained priors already suffice. These findings challenge prevailing assumptions about self-evolving methods and underscore the need for more faithful and reliable approaches to experience integration.

11.
arXiv (CS.LG) 2026-06-12

Detecting Explanatory Insufficiency in Learned Representations: A Framework for Representational Vigilance

arXiv:2606.13172v1 Announce Type: new Abstract: Learned representations are central to modern machine learning and are commonly evaluated through predictive performance, robustness, uncertainty estimation, or generalization. However, a learned representation may remain operationally successful while progressively failing to organize persistent residual structures that are not fully captured by conventional evaluation metrics. This article introduces VER, the Vigilant Evaluator of Representations, a conceptual framework for monitoring representational adequacy in learned representations. VER does not propose a new learning algorithm, loss function, or model architecture. Instead, it formalizes a diagnostic process through which persistent residual structures may be identified, analyzed, and interpreted as potential indicators of explanatory insufficiency. The framework distinguishes representational inadequacy from ordinary prediction error, uncertainty, noise, and distribution shift. It introduces a monitoring sequence based on representation identification, explanatory-domain delimitation, residual-structure detection, explanatory-resistance evaluation, and vigilance signaling. VER is intended as a contribution to representation diagnostics in machine learning. Its objective is not to replace existing evaluation methods but to complement them by treating representational adequacy as an explicit object of inquiry. A path toward empirical evaluation through representational-vigilance benchmarks is also outlined.

12.
arXiv (CS.CV) 2026-06-16

City landscape in sight: A crowdsourced framework for unlocking urban-scale window view perceptions from real estate imagery

City landscapes viewed through home windows influence quality of life, yet perceptions of actual window views at the urban scale remain understudied. This study presents an approach for large-scale mapping of perceptions using 12,334 window view images (WVIs) collected from actual residential properties listed on real estate platforms in Wuhan, China, representing a rarely explored form of urban view imagery that offers advantages over the rendered or simulated window views commonly examined in previous studies. Through a non-immersive virtual reality platform, we collected 27,477 pairwise comparisons across six perceptual dimensions (e.g.\ Vivid) from 304 participants based on 499 WVIs. A hybrid neural network model was trained to predict human perceptions of all crowdsourced WVIs and map their spatial distribution. Results reveal significant spatial autocorrelation with distinct hot and cold spots across the whole city. Floor level strongly influences human perceptions: while higher floors offer more preferred and extensive window views, lower-floor windows provide residents with quiet and vivid views. An inference model further shows that window view composition matters considerably: high ratios of sky, trees, and low-rise buildings enhance people's preferences and perceptions of vividness, whereas high ratios of high-rise buildings increase perceptions of monotony and oppression. Importantly, these effects are non-linear: the excessive presence of certain elements can alter their impact on human perception. This work advances urban-scale understanding of residents' visual experiences and provides evidence-based guidance for human-centric urban planning and real estate to optimise visual landscapes from windows.

13.
arXiv (CS.LG) 2026-06-12

Policy-driven Conformal Prediction for Trustworthy QoT Estimation

arXiv:2606.12501v1 Announce Type: new Abstract: We propose Conformal QoT, a policy-driven framework that combines statistically guaranteed QoT estimation with operational decision policies, enabling reliable lightpath-feasibility predictions under domain shift and improving accuracy from 92\% to 99.6\% on open datasets.

14.
arXiv (CS.LG) 2026-06-17

Reducing Learner Redundancy in Boosting via Residual Orthogonalization

arXiv:2606.17567v1 Announce Type: new Abstract: While sequential residual fitting is the bedrock of standard boosting frameworks, it inherently breeds learner redundancy by repeatedly revisiting correlated error components. To address this bottleneck, we propose a shift from residual fitting to residual orthogonalization and introduce SCBoost. Our framework tackles redundancy through two complementary mechanisms: Spectral Residual Projection (SRP) and Covariance-Regularized Weighting (CRW). During training, SRP projects each residual target onto the orthogonal complement of the historical prediction subspace, forcing successive learners to capture only novel empirical innovations. During aggregation, CRW optimizes ensemble weights on a validation set with an explicit covariance penalty to mitigate remaining correlations. Theoretically, we provide a finite-sample geometric characterization proving that SRP yields an exact additive residual-energy decomposition. Furthermore, under an isotropic-noise assumption, we rigorously establish the conditions under which this projection improves the effective Signal-to-Noise Ratio. Extensive experiments across ten benchmark datasets demonstrate that SCBoost delivers strong out-of-the-box performance, particularly in accuracy and F1 score. This work reinterprets boosting through a geometric lens, suggesting that explicit redundancy control is a principled and necessary step toward more efficient ensemble architectures.

15.
arXiv (CS.CL) 2026-06-12

Identifiability Without Gaussianity: Symbolic World Models and Near-Infinite Temporal Consistency

Klindt, LeCun, and Balestriero (arXiv:2605.26379) proved that Joint-Embedding Predictive Architectures (JEPAs) achieve linear identifiability, the linear recovery of the world's true latent variables, if and only if the world's latent dynamics follow a Gaussian, stationary process. This Gaussian boundary implies a fundamental limit on temporal consistency: for any non-Gaussian physical system, the representation error of a statistical World Model grows monotonically with time. We prove that this limit is an artifact of the statistical alignment mechanism, not a property of World Models in general. We introduce the Physics-Grounded Symbolic Architecture (PGSA) and prove three results: (1) a PGSA achieves exact linear identifiability for all physical regimes, regardless of the latent distribution; (2) the per-step error of a PGSA is bounded by numerical precision alone; and (3) as a direct consequence, a PGSA maintains temporal consistency for an unbounded number of transitions, a property we term near-infinite temporal consistency. We further prove that statistical World Models cannot achieve this property for any non-Gaussian system, regardless of model capacity or the volume of training data. The algebraic cores of four of the theorems are formalized in Lean 4 with Mathlib4 v4.31.0 (zero sorry placeholders); the Klindt et al. converse is taken as an external premise. The contrast establishes that symbolic grounding in the causal generator of the world's dynamics is the sufficient condition and, in non-Gaussian regimes, the only condition for near-infinite temporal consistency.

16.
Nature (Science) 2026-06-15

Nanocrystal-tailored recombination for all-perovskite tandem solar modules

作者:

The commercialization of all-perovskite tandem solar modules is hindered by the reliance on the conventional gold-based tunnel recombination junction (TRJ)1,2. Specifically, this TRJ introduces substantial near-infrared parasitic absorption3 and suffers from interfacial instability4, limiting both photocurrent generation and operational durability. Here, we develop a solution-processed interconnecting layer based on surface-engineered indium oxide (In2O3) nanocrystals featuring high optical transparency, wherein controlled nanocrystal morphology and tailored ligand chemistry enable smooth interfacial contact and favorable energy level alignment. Critically, we introduce a phosphonic acid additive into the lead–tin (Pb–Sn) perovskite precursor, which synergistically improves the electronic contact with the In2O3 recombination layer, thereby enhancing hole extraction. In addition, the additive regulates perovskite crystallization to mitigate residual strain during film formation, ensuring high-quality large-area deposits. This coordinated interfacial and crystallization engineering strategy simultaneously enhances carrier recombination efficiency at the interconnection layer, improves carrier extraction, and promotes large-area film uniformity in all-perovskite tandems. As a result, a 65-cm2 all-perovskite tandem solar module achieves a certified power conversion efficiency of 26.2%5, with an open-circuit voltage of 2.182 V, a fill factor of 77.4%, and a short-circuit current density of 15.6 mA cm-2 in terms of averaged subcell performance, measured by Japan Electrical Safety and Environment Technology Laboratories (JET). This marks a significant advance toward scalable perovskite tandem photovoltaics.

17.
arXiv (CS.AI) 2026-06-16

AgentLeak: A Benchmark for Internal-Channel Privacy Leakage in Multi-Agent LLM Systems

arXiv:2602.11510v3 Announce Type: replace Abstract: Multi-agent Large Language Model (LLM) systems create privacy risks that current output-only benchmarks cannot measure. When agents coordinate on tasks, sensitive data may pass through inter-agent messages, shared memory, and tool arguments, all pathways that final-output audits typically do not inspect. We introduce AgentLeak, a benchmark for evaluating internal-channel privacy leakage in multi-agent LLM systems. AgentLeak instruments seven privacy-relevant communication pathways and provides a large-scale empirical evaluation focused on final outputs, inter-agent messages, and shared memory. Across 1,000 scenarios spanning healthcare, finance, legal, and corporate domains, five production LLMs (GPT-4o, GPT-4o-mini, Claude 3.5 Sonnet, Mistral Large, and Llama 3.3 70B), and 4,979 validated execution traces, we find that multi-agent configurations reduce final-output leakage (C1: 27.2% vs 43.2% in single-agent mode) compared with single-agent baselines but introduce internal channels that raise total system exposure to 68.9% (aggregated across C1, C2, C5). Inter-agent messages (C2) leak at 68.8%, compared with 27.2% for final outputs (C1), meaning that output-only audits miss 41.7% of violations. Across all five models and four domains, the pattern C2 $\geq$ C1 holds consistently. These results suggest, within the evaluated coordinator-worker setting, that privacy risk in multi-agent systems is strongly shaped by architectural coordination channels rather than final-output behavior alone: it arises from internal channels that remain invisible to standard output-level defenses.

18.
arXiv (CS.CV) 2026-06-16

Structural Energy Guidance for View-Consistent Text-to-3D Generation

Text-to-3D generation based on diffusion models often suffers from the Janus problem, leading to inconsistent geometry across viewpoints. This work identifies viewpoint bias in 2D diffusion priors as the main cause and proposes Structural Energy-Guided Sampling (SEGS), a training-free and plug-and-play framework to improve multi-view consistency. SEGS constructs a structural energy in the PCA subspace of U-Net features and injects its gradient into the denoising process. It can be easily integrated into SDS/VSD pipelines without retraining. Experiments show that SEGS reduces the Janus Rate by about 10% on average and improves View-CS scores across multiple baselines, including DreamFusion, Magic3D, and LucidDreamer. This method effectively alleviates viewpoint artifacts while preserving appearance fidelity, providing a flexible solution for high-quality text-to-3D content generation.

19.
arXiv (CS.CL) 2026-06-17

Perceptual compensation for tonal context in self-supervised speech models

This study examines the extent to which the wav2vec2.0 architecture exhibits evidence of compensation for phonological context. We conducted a pseudo-replication of a perceptional compensation experiment on Mandarin Chinese tones, and compared the embedding similarities and probing classifier outputs between a purely self-supervised pre-trained model and a model fine-tuned for Mandarin ASR. No evidence of compensation was found in the embedding similarities of the purely pre-trained model. Probing classifiers showed some evidence of compensation in addition to the expected layer-wise improvements in categorization, but failed to replicate human performance on isolated test syllables. Our findings contrast with previous reports of sensitivity to phonological structure emerging through pre-training alone, and suggest that supervised objectives may be necessary to encourage the abstraction of at least some types of phonological regularities.

20.
arXiv (math.PR) 2026-06-18

Milstein-type Schemes for Hyperbolic SPDEs

arXiv:2512.19647v4 Announce Type: replace-cross Abstract: This article studies the temporal approximation of hyperbolic semilinear stochastic evolution equations with multiplicative Gaussian noise by Milstein-type schemes. We take the term hyperbolic to mean that the leading operator generates a contractive, not necessarily analytic $C_0$-semigroup. Optimal convergence rates are derived for the pathwise uniform strong error \[ E_h^\infty := \Big(\mathbb{E}\Big[\max_{1\le j \le M}\|U_{t_j}-u_j\|_X^p\Big]\Big)^{1/p} \] on a Hilbert space $X$ for $p\in [2,\infty)$. Here, $U$ is the mild solution and $u_j$ its Milstein approximation at time $t_j=jh$ with step size $h>0$ and final time $T=Mh>0$. For sufficiently regular nonlinearity and noise, we establish strong convergence of order one, with the error satisfying $E_h^\infty\lesssim h\sqrt{\log(T/h)}$ for rational Milstein schemes and $E_h^\infty \lesssim h$ for exponential Milstein schemes. This extends previous results from parabolic to hyperbolic SPDEs and from exponential to rational Milstein schemes. Moreover, root-mean-square error estimates are strengthened to pathwise uniform estimates. Numerical experiments validate the convergence rates for the stochastic Schrödinger equation. Further applications to Maxwell's and transport equations are included.

21.
arXiv (quant-ph) 2026-06-11

Dissociative recombination and ion-pair formation in $\mathrm{HeH^+}$ isotopologues: A time-dependent wave-packet study including rotational coupling

arXiv:2606.11352v1 Announce Type: cross Abstract: We present a comprehensive theoretical investigation of dissociative recombination (DR) and resonant ion-pair (RIP) formation in $\mathrm{HeH^+}$ isotopologues using time-dependent wave-packet propagation methods. Nuclear dynamics are treated on a set of 23 coupled electronic states, including $^2\Sigma$, $^2\Pi$, and $^2\Delta$ symmetries, in both adiabatic and strictly diabatic representations, with rotational couplings explicitly included. Reaction cross sections are computed over collision energies ranging from 0 to 50 eV. The results reveal that inclusion of a large manifold of resonant states and rotational couplings significantly enhances the DR cross section relative to earlier theoretical studies. In the diabatic representation, $^2\Sigma$ states dominate the recombination dynamics, while in the adiabatic representation, $^2\Pi$ and $^2\Delta$ states contribute significantly at low collision energies. For RIP formation, two different diabatization schemes yield systematically larger cross sections than previous models, highlighting the sensitivity of ion-pair production to electronic coupling structure. Isotopic effects are examined, showing a clear inverse dependence of cross section magnitude on reduced mass. The present results underscore the importance of multi-state coupling and nonadiabatic effects in accurately describing electron-molecule collision processes in primordial and astrophysical plasmas.

22.
arXiv (CS.CV) 2026-06-16

Training-free sparse attention based on cumulative energy filtering

Sparse attention accelerates Diffusion Transformers (DiTs) for video generation by computing only the important tokens while skipping the rest. The token selection strategy is key to balancing sparsity and accuracy. We formulate the token filtering process as a dual-goal optimization problem: maximizing sparsity and minimizing accuracy degradation. Existing algorithms cannot fulfill both objectives simultaneously. For example, Top-p only considers the accuracy constraint, while Top-k maintains a fixed computational budget but loosens the accuracy constraint. This paper demonstrates that maintaining a fixed recall rate is sufficient for ensuring accuracy, whereas a fixed threshold is suboptimal for reducing computational cost. Therefore, we propose a dynamic thresholding scheme to improve sparsity while maintaining the same level of accuracy. Furthermore, our algorithm is deeply integrated with Flash Attention (FA), eliminating the need for any additional masking computation overhead. Experimental results on Wan 2.2 validate that, compared to the BLASST algorithm which is also integrated with FA, our dynamic thresholding strategy enhances sparsity from 61.42\% to 82\% with a VBench metric drop of less than 5\%. This results in an approximate 15\% in attention computation and a $1.61\times$ increase in computational efficiency, which is 1.18x higher than that of BLASST.

23.
arXiv (CS.LG) 2026-06-16

MolE-RAG: Molecular Structure-Enhanced Retrieval-Augmented Generation for Chemistry

arXiv:2606.05693v2 Announce Type: replace Abstract: Large language models (LLMs) have shown promise for molecular property prediction, but their ability to reason over chemical structures remains limited, as molecular representations such as SMILES differ substantially from the natural language on which LLMs are primarily trained. To bridge this semantic and chemical knowledge gap, we propose MolE-RAG, a training-free, molecule-centric retrieval-augmented generation framework for LLM-based molecular property prediction. MolE-RAG augments each prediction with three complementary sources of inference-time context: retrieved chemistry literature, molecule-specific information including compound synonyms, identifiers, functional group annotations, and physicochemical descriptors, and structurally similar molecules retrieved from the training set. We evaluate MolE-RAG across nine molecular property prediction tasks using proprietary, chemistry-specialized, and open-source LLMs. Across general-purpose LLMs, MolE-RAG improves ROC-AUC by up to 28 percentage points on classification tasks and reduces regression RMSE by up to 67% relative to a SMILES-only baseline. We further find that the utility of each context source varies across models and tasks, with different models benefiting most from textual retrieval, molecular context, or structural retrieval. These results suggest that molecule-centric retrieval can improve LLM-based molecular property prediction without model fine-tuning while providing a flexible framework for integrating heterogeneous chemical knowledge at inference time.

24.
arXiv (CS.AI) 2026-06-19

Superhuman Safe and Agile Racing through Multi-Agent Reinforcement Learning

arXiv:2605.22748v2 Announce Type: replace-cross Abstract: Autonomous systems have achieved superhuman performance in isolation or simulation, yet they remain brittle in shared, dynamic real-world spaces. This failure stems from the dominant single-agent paradigm for physical applications, where other actors are ignored or treated as environmental noise, preventing effective coordination. Here we show that multi-agent reinforcement learning provides the essential safety scaffolding required for real-world interaction. Using high-speed quadrotor racing as a high-stakes testbed, we train agents to navigate complex aerodynamic interactions and strategic maneuvering with a variable number of racers. Through league-based self-play, agents evolve sophisticated anticipatory behaviors, including proactive collision avoidance, overtaking, and handling multi-agent physical interactions, including aerodynamic downwash. Our agents outperform a champion-level human pilot in multi-player races at speeds exceeding 22 m/s, while simultaneously reducing collision rates by 50 % compared to state-of-the-art single-agent baselines. Crucially, training with diverse artificial agents enables zero-shot generalization to safer human interaction. These results suggest that the path to robust robotic co-existence lies not in isolated safety constraints, but in the rigorous demands of multi-agent interaction. Multimedia materials are available at: https://rpg.ifi.uzh.ch/marl

25.
arXiv (quant-ph) 2026-06-19

Entanglement structure of the dynamical phases in the sub-Ohmic spin-boson model

arXiv:2606.20313v1 Announce Type: new Abstract: The sub-Ohmic spin-boson model exhibits three distinct dynamical regimes in its spin population dynamics, classified as coherent, incoherent, and pseudo-coherent. Whether these regimes correspond to distinct spin-bath entanglement structures remains an open question. Here we address this using tree tensor network states with projector-splitting time evolution (TTN-TDVP-PS), scanning a broad grid in the sub-Ohmic $(s, \alpha)$ plane. We find that the spin entanglement entropy $S_\mathrm{spin}(t)$ reaches a stationary plateau on a timescale shorter than the polarization relaxation, enabling construction of a stationary entropy landscape from the stationary value $S_\mathrm{stable}$. Within this scalar entropy landscape, the entropy ridge broadly follows the population-based phase boundary at small $s$, but does not reproduce the two-branch structure at large $s$. The ridge remains single-valued within the incoherent region rather than separately tracking both population-based transitions. The Bloch-sphere representation provides a geometric interpretation of this behavior. The entropy plateau corresponds to trajectories settling onto constant-radius shells, with the ridge marking the parameters of smallest stationary Bloch radius. Mode-resolved bath entanglement shows that low-frequency modes dominate the environmental entropy scale and that coherent dynamics enhance bath-mode correlations beyond direct spin–mode correlations. These results establish the stationary spin entanglement entropy as a physically informative observable that complements population-based classifications of dissipative quantum dynamics.