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) 2026-06-12

Clipping Makes Distributed and Federated Asynchronous SGD Robust to Stragglers

arXiv:2606.13287v1 Announce Type: new Abstract: In modern machine learning, parallelization of training is an important strategy for increasing scale. Asynchronous stochastic gradient descent (ASGD), which maximizes the utilization of available hardware by avoiding waiting for slow workers. However, with constant step sizes, the convergence of ASGD is nonetheless affected negatively by slow workers due to large delays in updates. At the same time, it has been empirically observed in asynchronous training of deep learning models that gradient clipping "stabilizes" training. In this work, we provide a theoretical justification for this behavior, as we show that clipping removes the dependence of the maximum delay in the oracle complexity. We employ a sub-Weibull model of gradient noise which generalizes sub-Gaussian and sub-exponential distributions to more heavy-tailed distributions, motivated by empirical observations in deep learning. We show convergence in expectation, and the first time in asynchronous optimization, convergence with high probability.

02.
arXiv (quant-ph) 2026-06-16

Symmetry-Induced Relaxation Comb and Strong Quantum Mpemba Effect in Long-Range XXZ Spin Chains

arXiv:2605.20930v3 Announce Type: replace Abstract: Understanding how symmetry constrains dissipative relaxation in open quantum many-body systems remains a central challenge in nonequilibrium physics. Here we uncover a symmetry-filtered Liouvillian mechanism for fast relaxation in a long-range XXZ spin chain subject to dephasing noise. At the isotropic point, the Hamiltonian has global \(SU(2)\) symmetry, whereas the full Liouvillian retains only the \(U(1)\) symmetry associated with total magnetization. This interplay selects a family of spatially uniform \(U(1)\)-neutral eigenoperators with exact eigenvalues \(\lambda=-2q\). Highly symmetric initial states have spectral weight only on this family, so higher-order components decay rapidly and the \(\lambda=-2\) mode governs the long-time dynamics, producing universal \(D(t)\sim e^{-2t}\) relaxation independent of system size and interaction range. Breaking the Hamiltonian symmetry restores overlap with slow Liouvillian modes and strongly suppresses relaxation. This symmetry-filtered accessibility gives rise to a strong quantum Mpemba effect, where a state farther from the steady state relaxes faster than closer thermal states. Our results establish symmetry-filtered Liouvillian mode accessibility as a route to controlling nonequilibrium relaxation in open quantum systems.

03.
arXiv (CS.LG) 2026-06-11

Bergson: An Open Source Library for Data Attribution

arXiv:2606.11660v1 Announce Type: new Abstract: Data attribution is a promising field in interpretability that aims to explain model behavior through the influence of its training data, with applications including debugging undesirable model behavior and training dataset curation. However, significant engineering effort is required to perform it at scale, and many cutting edge techniques lack open-source tooling and support. Bergson is an open source library that aims to enable faster progress in the field by providing a host of techniques that scale to very large language models and pre-training datasets. The library natively supports on-disk gradient stores and multi-node distributed training, and provides quality of life tools for researchers. Finally, we introduce the first open-source implementations of three leading data attribution methods: MAGIC, SOURCE, and TrackStar. The library is available at https://github.com/EleutherAI/bergson .

04.
arXiv (CS.AI) 2026-06-12

Boosting Direct Preference Optimization with Penalization

作者:

arXiv:2606.12505v1 Announce Type: cross Abstract: Offline preference optimization has become a practical substitute for reinforcement learning from human feedback, but pairwise objectives such as Direct Preference Optimization (DPO) and its variants use only the chosen and rejected responses stored in a static dataset. This leaves a useful signal unused: the response that the reference model itself would generate for the same prompt. We propose Direct Preference Optimization with Penalization (DPOP), a simple extension of DPO that augments the base preference loss with a gated penalty on reference-greedy responses. DPOP activates this penalty only when the current policy still assigns a lower likelihood to the preferred response than to the rejected response. On AlpacaEval 2.0, DPOP improves length-controlled win rate over DPO, SimPO, and AlphaDPO on both Llama-3-8b-it and Gemma-2-9b-it, achieving relative gains of 5.3\% and 4.4\% over baselines on the two models, respectively. Ablations further show that a SimNPO-style length-normalized penalty is stronger than NPO and token-level unlikelihood in this setting.

05.
arXiv (CS.LG) 2026-06-24

SLEEPING-DISCO 9M: A large-scale pre-training dataset for generative music modeling

arXiv:2506.14293v4 Announce Type: replace-cross Abstract: We present Sleeping-DISCO 9M, a large-scale pre-training dataset for music and song. To the best of our knowledge, there are no open-source high-quality dataset representing popular and well-known songs for generative music modeling tasks such as text-music, music-captioning, singing-voice synthesis, melody reconstruction and cross-model retrieval. Past contributions focused on isolated and constrained factors whose core perspective was to create synthetic or re-recorded music corpus (e.g. GTSinger, M4Singer) and arbitrarily large-scale audio datasets (e.g. DISCO-10M and LAIONDISCO-12M) had been another focus for the community. Unfortunately, adoption of these datasets has been below substantial in the generative music community as these datasets fail to reflect real-world music and its flavour. Our dataset changes this narrative and provides a dataset that is constructed using actual popular music and world-renowned artists.

06.
medRxiv (Medicine) 2026-06-24

TMPRSS2-Coagulation Nexus: A Novel Molecular Link Revealed by Pairwise Correlation Analysis Following AstraZeneca (ChAdOx1 nCoV-19) Vaccination in a Nigerian Cohort

Background: While haematological and coagulation changes following AstraZeneca vaccination have been described, the molecular mechanisms linking TMPRSS2 expression to coagulation remain underexplored, particularly in African populations. Methods: In this case-control study, 102 adults (51 vaccinated with AstraZeneca >=6 months prior, 51 unvaccinated controls) aged 18-65 years in Port Harcourt, Nigeria, were evaluated. Full blood count (Sysmex XN-1000), PT/aPTT (Erba Mannheim), RNA concentration, and qRT-PCR for ACE2/TMPRSS2 (normalized to GAPDH) were performed. Pearson correlations and t-tests were conducted (SPSS v26, p

07.
arXiv (CS.LG) 2026-06-25

Auto-Configured Explainable Graph Neural Networks for Multi-Site Pollution Prediction

arXiv:2606.24978v1 Announce Type: new Abstract: Accurate particulate matter (PM) prediction is crucial for mitigating air pollution. Graph Neural Networks (GNNs) effectively model spatiotemporal dependencies, but predefined graphs limit adaptability, and some datasets complicate learning. This study introduces a graph construction method based on a confusion matrix from a supervised learning process to dynamically capture inter-class relationships. Additionally, a hybrid loss function that combines energy distance and Huber loss is applied to address the vanishing gradient problem and improve learning stability. The approach is evaluated using air pollution data from the University of Utah AirU Pollution Monitoring Network in Salt Lake City, UT, with five GNN models: Graph Convolutional Networks (GCNs), Simple Graph Convolutional Networks (SGConv), Graph Isomorphism Networks (GINs), Graph Attention Networks (GATs), and GraphSage. The experimental results of single- and multistep predictions confirm that GraphSage achieves the highest accuracy in predicting the concentrations of PM${1}$, PM${10}$, and PM$_{2.5}$ over different time horizons. Furthermore, {\color{black} GNNExplainer (Graph Neural Network Explainer) and PGExplainer (Probabilistic Graph Explainer)} are applied to interpret feature importance and graph structure, ensuring model transparency. Results show improved prediction accuracy, with GNN models outperforming traditional machine learning \textcolor{black}{and deep learning models (i.e., Prophet, Long short-term memory, Gated recurrent units} in air pollution forecasting.

08.
arXiv (math.PR) 2026-06-18

Evolution of Conditional Entropy for Diffusion Dynamics on Graphs

arXiv:2510.19441v2 Announce Type: replace-cross Abstract: The modeling of diffusion processes on graphs is the basis for many network science and machine learning approaches. Entropic measures of network-based diffusion have recently been employed to investigate the reversibility of these processes and the diversity of the modeled systems. While results about their steady state are well-known, very few exact results about their finite-time evolution exist. Here, we introduce the conditional entropy of heat diffusion in graphs, and outline a mathematical framework that contextualizes diffusion and conditional entropy within the theories of continuous-time Markov chains and information theory. In particular, we highlight that this entropic measure satisfies an information-theoretical version of the second law of thermodynamics, thereby providing a parallelism between diffusion dynamics on networks and their physical counterparts. Furthermore, we obtain explicit results for its evolution on complete, path, and circulant graphs, as well as a mean-field approximation for Erdös-Rényi graphs. We also obtain asymptotic results for general networks and provide bounds for the evolution of conditional entropy. Finally, we experimentally demonstrate several properties of conditional entropy for diffusion over random graphs, such as the Watts-Strogatz model.

09.
arXiv (CS.LG) 2026-06-16

Model Stealing Through the Lens of Model Multiplicity

arXiv:2606.15493v1 Announce Type: new Abstract: Model stealing attacks, where adversaries create high-fidelity surrogate models, are a significant threat to the intellectual property of machine learning services. Conventional wisdom suggests these surrogates could provide adversaries with economic leverage comparable to the original service providers. This paper challenges this assumption by evaluating model stealing attacks beyond mere fidelity to the target model. Because query-based extraction provides only partial supervision of the target's input-output behavior, the surrogate is not uniquely identified: many near-optimal surrogates can achieve comparable fidelity while differing in deployment-relevant properties. Instead of performing a classic learning-based model stealing attack, we compute the Rashomon Set (i.e., the set of almost-equally-accurate models) of surrogate models, and evaluate its diversity using multiplicity metrics (ambiguity, discrepancy, and Rashomon Capacity) and group fairness metrics. Across tabular, medical imaging, and NLP tasks, our experiments on real-world datasets reveal that despite exhibiting similar fidelity to the target model, surrogate models can display significant variances in other critical performance metrics. These findings cast doubt on the presumed equivalence between high-fidelity surrogates and the target model in practical deployment scenarios.

10.
arXiv (CS.AI) 2026-06-12

An Explainable AI Assistant for Introductory Programming Education: Improving Feedback Reliability with Instructor-AI Collaboration

arXiv:2606.12425v1 Announce Type: cross Abstract: Active learning is widely recognized as an effective approach for improving learning outcomes in introductory programming courses. However, insufficient instructional support often limits students' access to timely, personalized feedback, which is crucial for mastering foundational programming concepts. Although recent advances in AI, particularly large language models, offer scalable opportunities for feedback, concerns about explainability and reliability remain. In this paper, we present an AI-driven classroom assistant that leverages an explainable AI model to analyze student code, map logical errors to instructor-identified misconceptions, and deliver instructor-authored feedback, thereby grounding reliability in instructor-defined pedagogical knowledge. To evaluate the effectiveness of our framework, we conducted an expert evaluation to examine its alignment with instructor-verified feedback and deployed the system in a classroom setting to assess students' perceptions of its usability. Results indicate that the assistant can provide accurate, instructor-verified feedback to students while fostering a positive experience.

11.
arXiv (CS.CL) 2026-06-17

Moderating Illicit Online Image Promotion for Unsafe User-Generated Content Games Using Large Vision-Language Models

Online user generated content games (UGCGs) are increasingly popular among children and adolescents for social interaction and more creative online entertainment. However, they pose a heightened risk of exposure to explicit content, raising growing concerns for the online safety of children and adolescents. Despite these concerns, few studies have addressed the issue of illicit image-based promotions of unsafe UGCGs on social media, which can inadvertently attract young users. This challenge arises from the difficulty of obtaining comprehensive training data for UGCG images and the unique nature of these images, which differ from traditional unsafe content. In this work, we take the first step towards studying the threat of illicit promotions of unsafe UGCGs. We collect a real-world dataset comprising 2,924 images that display diverse sexually explicit and violent content used to promote UGCGs by their game creators. Our in-depth studies reveal a new understanding of this problem and the urgent need for automatically flagging illicit UGCG promotions. We additionally create a cutting-edge system, UGCG-Guard, designed to aid social media platforms in effectively identifying images used for illicit UGCG promotions. This system leverages recently introduced large vision-language models (VLMs) and employs a novel conditional prompting strategy for zero-shot domain adaptation, along with chain-of-thought (CoT) reasoning for contextual identification. UGCG-Guard achieves outstanding results, with an accuracy rate of 94% in detecting these images used for the illicit promotion of such games in real-world scenarios.

12.
arXiv (CS.AI) 2026-06-19

Overcoming Labelled Data Scarcity for Defect Classification in Scanning Tunneling Microscopy

arXiv:2506.01678v2 Announce Type: replace-cross Abstract: Scanning tunnelling microscopy (STM) is a powerful technique for imaging surfaces with atomic resolution, providing insight into physical and chemical processes at the level of single atoms and molecules. A regular task of STM image analysis is the identification and labelling of features of interest against a uniform background. Performing this manually is a labour-intensive task, requiring significant human effort. To reduce this burden, we propose an automated approach to the segmentation of STM images that uses both few-shot learning and unsupervised learning. Our technique offers greater flexibility compared to previous supervised methods; it removes the requirement for large manually annotated datasets and is thus easier to adapt to an unseen surface while still maintaining a high accuracy. We demonstrate the effectiveness of our approach by using it to recognise atomic features on three distinct surfaces: Si(001), Ge(001), and TiO$_2$(110), including adsorbed AsH$_3$ molecules on the silicon and germanium surfaces. Our model exhibits strong generalisation capabilities, and following initial training, can be adapted to unseen surfaces with as few as one additional labelled data point. This work is a significant step towards efficient and material-agnostic, automatic segmentation of STM images.

13.
arXiv (quant-ph) 2026-06-16

Diagonal-Budgeted Trotterization for Efficient Quantum Hamiltonian Simulation

arXiv:2606.16959v1 Announce Type: new Abstract: Efficient classical simulation of quantum Hamiltonian dynamics is often bottlenecked by exponential state growth and the overhead of generic sparse linear algebra. We introduce diagonal-budgeted Trotterization, a structure-aware strategy that decomposes Hamiltonians into factors preserving diagonal sparsity while tightly controlling fidelity loss. Our implementation, HamSim, utilizes a compact diagonal-sparse data layout and specialized C++/CUDA kernels to bypass the overheads of generic formats like CSR. By leveraging SIMD vectorization, multithreading, and GPU acceleration, HamSim achieves high performance across heterogeneous architectures. Benchmarks on the HamLib suite show that HamSim significantly outperforms Qiskit-Aer. On CPUs, HamSim attains speedups of $182$–$1,269\times$ on optimization instances (TSP, MaxCut) and $4.8$–$841\times$ on physical models (TFIM, Heisenberg). On GPUs, it achieves up to $178\times$ speedup for $12$–$16$ qubit problems. Unlike traditional Trotterization, HamSim maintains near-perfect fidelity without requiring exponential steps. This demonstrates that diagonal-aware numerical kernels provide a scalable foundation for high-fidelity classical Hamiltonian simulation.

14.
Nature Medicine 2026-06-16

<b>Engineered heart muscle passes early clinical milestone</b>

Engineered heart muscle allografts derived from induced pluripotent stem cells show promising early outcomes in patients with treatment-refractory advanced heart failure with reduced left ventricular ejection fraction, in support of further clinical investigation. Engineered heart muscle allografts derived from induced pluripotent stem cells show promising early outcomes in patients with treatment-refractory advanced heart failure with reduced left ventricular ejection fraction, in support of further clinical investigation.

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

Harsher on Male? Evaluating LLMs on Gender-Asymmetric Moral Framing Across Diverse Conflict Scenarios

Existing studies on gender bias in LLMs have largely focused on stereotypes, occupational associations, or explicit harmful outputs. In this work, we ask whether LLMs apply consistent response standards to the same negative behavior under matched male-actor and female-actor conditions. We introduce GAMA-Bench, a gender-mirrored benchmark of 1,298 scenarios covering intimate relationship and public social conflicts. It constructs gender-neutral misconduct templates through controlled grids and cross-model review, then compiles them into paired first-person prompts with matched actor-gender and role-reference variations. We further design a structured response-framing protocol to measure how models allocate punishment, empathy, escalation, instruction, and blame. Experiments on 10 representative LLMs reveal a consistent male-disadvantaging asymmetry: male actors receive more punitive, escalatory, and blame-centered framing, whereas female actors receive more therapeutic and empathy-oriented framing for the same misconduct. Further analyses show that this pattern persists across model families, scenario tracks, model scale, and explicit thinking-style reasoning. The official code is available at https://github.com/xufeiqiong/GAMA-Bench.

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

The algebra of Krom logic programs

arXiv:2606.15719v1 Announce Type: cross Abstract: This paper investigates the algebraic structure of Krom logic programs, consisting only of facts and rules with at most one body atom. We show that sequential composition endows the class of Krom programs with a natural monoid structure and that this structure admits rich algebraic extensions to Krom seminearrings, Krom quemirings, Krom-Conway seminearrings, and Krom-Conway omegaseminearrings. Furthermore, we establish explicit generating sets and canonical decompositions, study the associated ${}^\omega$-operator, characterize the Kleene star in graph-theoretic terms, and relate finite Krom monoids to transformation monoids and finite-state automata. These results provide new connections between logic programming, algebraic automata theory, and algebraic graph theory.

17.
medRxiv (Medicine) 2026-06-22

How knowledge shapes community stigma and social support for women seeking abortion in the Democratic Republic of Congo: A cross-sectional study.

Background The Democratic Republic of Congo (DRC) bears one of the highest maternal mortality ratios globally (746 per 100,000 live births), with nearly 11% of deaths attributable to complications of unsafe abortion. Despite ratification of the Maputo Protocol and related national policies, access to safe abortion remains limited, largely due to entrenched stigma. Social support, encompassing emotional, informational, and instrumental assistance, is critical in shaping womens abortion-seeking behaviors and health outcomes. This study examines the influence of community-level knowledge on stigma and social support for women seeking abortion care. Methods A cross-sectional survey was conducted from May 2024 to June 2024 among 1,715 adults in Kinshasa and North Kivu provinces. Analyses focused on a sub-sample of 574 respondents reporting familiarity with women who had undergone abortion. Structural Equation Modeling (SEM) was applied to estimate direct and indirect pathways linking community knowledge, stigma, and social support. Results Two core knowledge indicators, recognition of abortion as a safe medical procedure and awareness of legal conditions for access, were significantly associated with outcomes. A one-unit increase in knowledge corresponded to a 0.39-point increase in social support and a 0.19-point reduction in stigma. Enhanced knowledge promoted empathetic attitudes, reinforced practical support, and mitigated moralizing judgments toward women seeking abortion. Conclusions Strengthening community knowledge emerges as a strategic lever to reduce abortion-related stigma and enhance social support in the DRC. These findings underscore the importance of integrating stigma-reduction and knowledge-enhancement interventions into reproductive health programs to improve womens access to safe and dignified abortion care.

18.
arXiv (CS.LG) 2026-06-11

SEDULity: A Proof-of-Learning Framework for Distributed and Secure Blockchains with Efficient Useful Work

arXiv:2512.13666v2 Announce Type: replace-cross Abstract: The security and decentralization of Proof-of-Work (PoW) have been well-tested in existing blockchain systems. However, its tremendous energy waste has raised concerns about sustainability. Proof-of-Useful-Work (PoUW) aims to redirect the meaningless computation to meaningful tasks such as solving machine learning (ML) problems, giving rise to the branch of Proof-of-Learning (PoL). While previous studies have proposed various PoLs, they all, to some degree, suffer from security, decentralization, or efficiency issues. In this paper, we propose a PoL framework that trains ML models efficiently while maintaining blockchain security in a fully distributed manner. We name the framework SEDULity, which stands for a Secure, Efficient, Distributed, and Useful Learning-based blockchain system. Specifically, we encode the template block into the training process and design a useful function that is difficult to solve but relatively easy to verify, as a substitute for the PoW puzzle. We show that our framework is distributed, secure, and efficiently trains ML models. We further demonstrate that the proposed PoL framework can be extended to other types of useful work and design an incentive mechanism to incentivize task verification. We show theoretically that a rational miner is incentivized to train fully honestly with well-designed system parameters. Finally, we present simulation results to demonstrate the performance of our framework and validate our analysis.

19.
arXiv (CS.CL) 2026-06-11

A PubMed-Scale Dataset of Structured Biomedical Abstracts

Structured abstracts are important for biomedical literature processing, by facilitating information retrieval, text mining, and knowledge synthesis. However, a vast portion of abstracts indexed in PubMed remain unstructured, presenting a significant bottleneck for downstream text-processing workflows and applications. To resolve this limitation, we introduce Structured PubMed, a comprehensive corpus of section-labeled biomedical abstracts compiled from the complete PubMed database, encompassing over 23.2 million research-article records. The corpus is divided into two distinct subsets: a collection of 5.9 million author-structured abstracts parsed from official XML files, and an automatically labeled collection of 17.2 million originally unstructured abstracts structured via a verbatim-extraction Large Language Model pipeline. Every record is harmonized under a unified five-section schema and mapped to its original PubMed identifier, publication type, and publication date. This dataset can be utilized to train sentence-classification models, benchmark text-segmentation architectures, and perform large-scale, section-specific information extraction at an unprecedented PubMed-wide scale.

20.
arXiv (CS.LG) 2026-06-18

P$^2$CE: Model-Agnostic Plausible Pareto-Optimal Counterfactual Explanations

arXiv:2606.18418v1 Announce Type: new Abstract: The increasing use of machine learning algorithms in social applications has raised concerns about fairness and transparency, leading to the development of counterfactual explanations. These explanations supports individuals to understand and potentially alter unfavorable decisions in areas such as loan applications, job selections, and more, by providing actionable changes to input features that would lead to a desired outcome. Existing methods often struggle to balance feasibility, plausibility, and computational efficiency. To address this, we introduce P$^2$CE, an algorithm for generating plausible Pareto-optimal counterfactual explanations, offering users a diverse set of optimal trade-offs between different notions of feasibility. P$^2$CE employs an auxiliary isolation forest outlier detector to ensure that explanations are in accordance with the data distribution and leverages SHAP values to obtain optimal results with short computing times, regardless of the underlying model. Our algorithm was empirically evaluated on three datasets, demonstrating superior performance in terms of both solution quality and computational efficiency compared to related techniques.

21.
arXiv (CS.AI) 2026-06-15

When the Tool Decides: LLM Agents Defer Blindly to Graph Neural Network Tools, and Stronger Backbones Defer More

arXiv:2606.14476v1 Announce Type: new Abstract: A growing line of work equips large language model (LLM) agents with graph neural networks (GNNs) as callable tools, assuming the agent exercises judgment over when and how much to rely on such a tool. We test this directly. We expose a frozen GNN to a ReAct-style LLM agent as an explicit tool and measure, on node classification over a text-attributed graph (ogbn-arxiv, replicated on WikiCS), whether the agent uses the tool or merely obeys it. We find the agent does not exercise judgment: its predictions agree with the raw GNN's 97.6-99.2% of the time (5 seeds), collapsing into a GNN parrot that adopts the tool's output wholesale and bypasses its own reasoning. Sweeping backbone capability (Qwen2.5 0.5B-7B), the deference is not a weak-model artifact: among models able to invoke the tool, agreement rises with capability (0.60 to 0.98 from 1.5B to 7B). Crucially, the cost of deference does not shrink as capability grows and grows where alternatives emerge: a per-node oracle over the available actions beats the parrot by 0.09-0.18 at 3B and 0.12-0.22 at 7B, roughly doubling at high homophily, because the parrot is pinned to the frozen GNN while the agent's alternatives improve; at 7B a simple neighbour-label tool overtakes the GNN at high homophily (0.81 vs 0.71) yet the agent still defers. A simple selective-invocation gate recovers about half of that high-homophily gap (0.71 to 0.83) but yields no net global gain, and held-out estimates bound the best achievable gate over standard test-time features to at most a third of the oracle headroom: reliable selective invocation looks limited by available information, not merely router design. Our results are a cautionary measurement: evaluations of agent+tool systems cannot assume the agent adds judgment on top of the tool, and selective invocation must be designed in rather than expected to emerge from scale.

22.
arXiv (CS.LG) 2026-06-11

Probabilistic Contrastive Pretraining for Multi-task ADME Property Prediction

arXiv:2606.11508v1 Announce Type: new Abstract: Accurate prediction of absorption, distribution, metabolism, and excretion (ADME) properties is critical to drug discovery, but remains challenging because ADME endpoints are noisy, interdependent, and often data-limited. We propose a molecular graph-transformer pretraining framework that combines chemistry-specific self-supervision with contrastive mutual information machine learning (cMIM). Our method encodes molecular graphs into latent variables, reconstructs SMILES strings from the graph-derived latent codes, and augments the contrastive objective with domain-specific self-supervised chemistry tasks. Rather than treating these tasks as auxiliary regularizers with separately tuned loss weights, we formulate reconstruction, contrastive discrimination, and chemistry-specific supervision as unit-weighted log-probability factors in a single probabilistic latent-variable objective. For fine-tuning, we propose a multi-task GNN readout architecture with task-specific multilayer perceptron heads, preserving shared representation learning while mitigating negative transfer and improving the modeling of heterogeneous, nonlinear task relationships. Across Biogen, ExpansionRX, and ChEMBL-MT, the resulting Contrastive KERMT pretraining improves over the KERMT baseline by 7.6%, 9.9%, and 9.5% respectively (averaged over significantly-improved endpoints). Adding ADME-adjacent molecules to the pretraining corpus further improves transfer, and the contrastive component sharpens chemically meaningful latent neighborhoods.

23.
arXiv (quant-ph) 2026-06-24

Multipartite synchronization residuals in driven-dissipative spin networks

arXiv:2606.24360v1 Announce Type: new Abstract: We introduce a phase-space measure of quantum synchronization that quantifies relative phase localization for two-qubit and three-qubit systems. This measure is built from the first angular moments of phase distributions obtained from Husimi-Q quasiprobability functions. Using this framework, we formulate a new class of synchronization residuals, motivated by subadditivity-type hierarchies of information-theoretic measures. We investigate these residuals in a driven-dissipative quantum Rabi network in the dispersive adiabatic regime. We show that, for two qubits, collective synchronization remains bounded by single-qubit contributions yielding a non-negative bipartite residual. The three-qubit nonequilibrium steady state exhibits a negative tripartite residual, which indicates collective phase synchronization, which cannot be described by pairwise decomposition. The corresponding entropy-based residuals, however, remain non-negative in both cases. Our results therefore, underscore that phase-sensitive synchronization measures and entropic correlation measures probe distinct aspects of open-system dynamics.

24.
arXiv (CS.AI) 2026-06-16

Z-Plane Neural Networks: Bounded Geometric Activation Replaces ReLU and LayerNorm

arXiv:2606.15669v1 Announce Type: cross Abstract: Modern deep neural networks rely on Euclidean scalar activations (e.g., ReLU) and global normalization techniques (e.g., LayerNorm) to prevent gradient instability in deep architectures. However, these mechanisms inherently cause dead neurons, discard critical directional information, and destroy the orthogonality of feature representations. Inspired by the frequency-modulation transmission of biological axons, we propose the Z-Plane Neural Network, which maps hidden states into 2D phasor bundles on a hypersphere. We introduce a novel geometric activation function, Radial Bounding($\mathbf{x} / \max(1, \|\mathbf{x}\|_2)$), which limits the energy magnitude while preserving the phase (direction). We demonstrate mathematically that this isotropic activation maintains 1-Lipschitz continuity and prevents gradient vanishing by preserving tangential gradients. Empirically, a 100-layer Z-Plane Multi-Layer Perceptron (MLP)-entirely devoid of ReLU and LayerNorm-successfully converges on the MNIST dataset with 98.34% accuracy and absolute numerical stability, proving that bounded geometric activation alone is sufficient for stable deep learning.

25.
arXiv (CS.CV) 2026-06-25

MotionDPS: Motion-Compensated 3D Brain MRI Reconstruction

Magnetic resonance imaging (MRI) is highly susceptible to patient motion due to its relatively long acquisition times and the fact that data are acquired sequentially in k-space. Even small patient movements introduce phase inconsistencies across measurements, leading to severe artifacts such as blurring, ghosting, and geometric distortions that can compromise diagnostic quality. Retrospective motion compensation remains challenging, particularly in accelerated acquisitions, due to the ill-posed nature of the joint reconstruction and motion estimation problem. In this work, we propose a unified Bayesian framework for motion-compensated 3D MRI that jointly estimates the anatomical image, rigid-body motion parameters, and coil sensitivity maps directly from motion-corrupted k-space data. Our approach integrates pretrained 3D complex-valued score-based diffusion models as expressive anatomical image priors within a physics-based forward model. Inference is performed by alternating diffusion posterior image updates with efficient proximal optimization steps for motion and coil sensitivity estimation, enabling fully unsupervised reconstruction without the need for paired motion-free training data. Experiments on simulated and real-motion brain MRI datasets demonstrate that the proposed method achieves improved image quality and motion robustness compared to state-of-the-art classical and learning-based motion correction techniques, particularly in the presence of severe motion and high acceleration.