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01.
arXiv (CS.AI) 2026-06-16

An AI Security Agent for University ACMIS: Multi-Vector Threat Detection and Automated Response

arXiv:2606.08270v2 Announce Type: replace-cross Abstract: University Academic Management Information Systems (ACMIS) are high-value targets for a wide spectrum of security threats including brute-force login attacks, payment fraud, privilege escalation, insider data theft, and academic integrity violations. Traditional rule-based intrusion detection systems are inadequate because many malicious activities are structurally indistinguishable from normal operations. This paper presents an AI-based security agent for ACMIS that combines supervised anomaly detection, behavioural analytics, and a natural language processing chatbot for secure password recovery. The agent monitors five operational layers: authentication, authorisation, financial transactions, user behaviour, and system health, and responds through a four-tier risk escalation framework. A modular architecture allows the core engine to be extended to other institutional systems. Experiments on a simulated ACMIS event log dataset of 147,922 sessions demonstrate a threat detection macro-average F1 of 0.966, compared to 0.156 for a rule-based baseline and 0.836 for a sequence-only (LSTM) baseline, with end-to-end critical-tier automated response latency under 1 ms on a single-node prototype. The integrated recovery chatbot achieves 97.1 percent identity verification accuracy and an 87.3 percent mass-reset attack detection rate with zero false positives on legitimate high volume recovery periods.

02.
arXiv (CS.CL) 2026-06-15

SciDef: Datasets and Tools for Automated Definition Extraction from Scientific Literature with LLMs

Scientific concepts are often defined inconsistently across papers, making it difficult to compare findings, reuse terminology, and build reliable downstream resources. We present SciDef, a resource suite for scientific definition extraction. The suite contains DefExtra, a benchmark of 268 human-validated author-stated definitions from 75 academic papers; DefSim, 60 human-labeled definition-pair similarity judgments; and an open LLM-based pipeline for PDF preprocessing, chunking, definition extraction, prompt optimization, and evaluation. We validate the resources by benchmarking 16 language models across prompting strategies and chunking schemes. The strongest set-level configuration achieves a score of 0.397, while the highest-coverage configuration matches at least one prediction to 86.4% of gold definitions but over-generates candidate definitions. We further show that an NLI-based matching metric agrees strongly with human DefSim judgments. These results position SciDef as a reusable benchmark and tooling layer for definition-centric literature analysis, while highlighting relevance-aware filtering as the key bottleneck for fully automatic definition extraction. Code & datasets are available at https://github.com/Media-Bias-Group/SciDef.

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

Optical Implementation of Equilibrium Propagation Using Spatial Photonic Ising Machines

arXiv:2606.13454v1 Announce Type: cross Abstract: Equilibrium Propagation offers a compelling alternative to traditional machine learning for training energy-based networks. Here we demonstrate a hybrid optical-digital implementation of EP using a Spatial Photonic Ising Machine (SPIM). The SPIM exploits the gauge transformation method to optically encode both continuous neuron states and rank-1 binary trainable patterns as phase modulations via a spatial light modulator, with inference realized using a finite difference scheme. The experimental system is evaluated on the Wine classification dataset. The potential of this approach, including the use of continuous couplings and structured coupling matrices, is evaluated numerically on the more complex MNIST dataset. Our work provides a concrete pathway toward energy-efficient physical implementations of Equilibrium Propagation.

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

Communication-Efficient Neural Tangent Kernels for Heterogeneous Decentralized Federated Learning

Authors:

arXiv:2512.12737v2 Announce Type: replace Abstract: Decentralized federated learning (DFL) enables collaborative model training without a central server, but converges slowly under statistical heterogeneity. Recent work has shown that neural tangent kernel (NTK) methods achieve faster convergence than gradient-based updates in DFL, while momentum has proven effective for accelerating gradient-based FL. However, applying momentum to NTK updates can destabilize training under heterogeneous data. We propose SPARK, which addresses this instability with a stage-wise annealed soft-label regularizer evaluated on neighborhood-aggregated data, so that momentum can accelerate NTK updates stably. Under high heterogeneity, SPARK converges about 3$\times$ faster than baselines and lowers the total communication to a target accuracy by up to about 70\%, and it attains higher accuracy across heterogeneity levels. We further study random projection as an optional Jacobian-compression strategy for bandwidth-constrained settings. We validate the approach across multiple datasets, network topologies, and heterogeneity levels.

05.
arXiv (CS.LG) 2026-06-12

Generalized Schrödinger Bridge on Graphs

arXiv:2602.04675v2 Announce Type: replace Abstract: Transportation on graphs is a fundamental challenge across many domains, where decisions must respect topological and operational constraints. Despite the need for actionable policies, existing graph-transport methods lack this expressivity. They rely on restrictive assumptions, fail to generalize across sparse topologies, and scale poorly with graph size and time horizon. To address these issues, we introduce Generalized Schrödinger Bridge on Graphs (GSBoG), a novel scalable data-driven framework for learning executable controlled continuous-time Markov chain (CTMC) policies on arbitrary graphs under state cost augmented dynamics. Notably, GSBoG learns trajectory-level policies, avoiding dense global solvers and thereby enhancing scalability. This is achieved via a likelihood optimization approach, satisfying the endpoint marginals, while simultaneously optimizing intermediate behavior under state-dependent running costs. Extensive experimentation on challenging real-world graph topologies shows that GSBoG reliably learns accurate, topology-respecting policies while optimizing application-specific intermediate state costs, highlighting its broad applicability and paving new avenues for cost-aware dynamical transport on general graphs.

06.
arXiv (CS.CV) 2026-06-11

How Auxiliary Reasoning Unleashes GUI Grounding in VLMs

Graphical user interface (GUI) grounding is a fundamental task for building GUI agents. However, general vision-language models (VLMs) struggle with this task due to a lack of specific optimization. We identify a key gap in this paper: while VLMs exhibit significant latent grounding potential, as demonstrated by their performance measured by Pointing Game, they underperform when tasked with outputting explicit coordinates. To address this discrepancy and bypass the high data and annotation costs of current fine-tuning approaches, we propose three zero-shot auxiliary reasoning methods. By providing explicit spatial cues such as axes, grids and labeled intersections as part of the input image, these methods enable VLMs to better articulate their implicit spatial understanding capabilities. We evaluate these methods on four GUI grounding benchmarks across seven open-source and proprietary VLMs. Experimental results show substantial gains from auxiliary reasoning. Mark-Grid Scaffold boosts Gemini-3.1-Pro from 11.72\% under direct inference to 95.20\% on ScreenSpot-v2, achieves state-of-the-art performance on ScreenSpot, and approaches the strongest fine-tuned methods on ScreenSpot-v2 and UI-I2E-Bench. Our code is available at https://github.com/liweim/AuxiliaryReasoning.

07.
arXiv (math.PR) 2026-06-12

Conditional means, vector pricings, amenability and fixed points in cones

Authors:

arXiv:2512.13829v4 Announce Type: replace Abstract: We develop a generalization of conditional probability for arbitrary ordered vector spaces. A related problem is that of assigning a numerical value to one vector relative to another. We characterize the groups for which these generalized probabilities can be stationary, respectively invariant. Our results deviate from the setting of classical probability and lead to a new criterion for amenability and for fixed points in cones.

08.
Nature (Science) 2026-06-10

‘Hidden hero’ peptides guard crops against sudden cold

Authors: Unknown Author

A protein signal remains silent under normal conditions but is activated under cold stress to protect developing pollen. This ‘on-demand’ resilience mechanism could enable the development of ‘climate smart’ crops that maintain high yields in good years and food security under climate stress. A peptide signal ensures that, in cold conditions, developing pollen receives nutrients at the right time.

09.
arXiv (CS.LG) 2026-06-25

Don't Go Breaking My LLM: The Impact of Pruning Attention Layers on Explanation Faithfulness and Confidence Calibration

arXiv:2606.24970v1 Announce Type: new Abstract: Pruning Large Language Models (LLMs) reduces memory and inference costs by removing parts of the network, producing smaller models that retain most of their accuracy. As attention layers are the most resource-intensive parts of LLMs, pruning them is a promising compression strategy. Prior work shows that up to 33% of attention layers can be pruned with minimal accuracy loss. Nevertheless, the impact of attention pruning on model interpretability, specifically faithfulness and confidence calibration, remains unstudied. To address this gap, we study how pruning attention layers affects explanation faithfulness and confidence calibration across five LLMs and eight datasets. While the pruned models often maintain high accuracy, we find that their faithfulness and calibration often degrade. Notably, faithfulness and calibration can fluctuate significantly, even when accuracy remains stable, highlighting a misalignment between model confidence, interpretability, and accuracy. Our findings suggest that layer pruning can affect LLMs' interpretability and reliability in ways not captured by accuracy and efficiency measures alone. We recommend including explainability and calibration metrics when evaluating pruned models.

10.
arXiv (CS.AI) 2026-06-19

TeleMorpher: Toward Robust Simultaneous Motion-Location Editing

arXiv:2606.19676v1 Announce Type: cross Abstract: Diffusion models have achieved remarkable success in image and video generation and editing. While recent studies have extended these efforts toward motion editing, simultaneously transforming both motion and location-despite its practical importance-remains largely unexplored. To better understand robust motion-location editing, we first analyze the fundamental factors that degrade its quality. Based on this analysis, we propose TeleMorpher, one of the first one-shot frameworks to the best of our knowledge, for simultaneous motion-location editing. Our approach leverages motion priors, a target motion-centric video generated from an off-the-shelf model as motion-editing guidance, and the ground truth motion to enable more controllable and precise motion-location editing. Via this, our framework works as follows: (1) we first disentangle the protagonist and the background via pre-trained segmentation and inpainting models. (2) Then, we introduce a training-free pose warping that edits the protagonist's motion with the motion prior as the guidance. (3) The result of warped motion video is directly injected into a baseline motion editor during inference, mitigating the difference between source and target motions while preserving the appearance of the source video. (4) To enhance the reliability of quantitative evaluations, we propose two new LPIPS-based metrics that measure the background consistency before and after the motion editing and the fidelity of motion editing performance via measuring the difference between the extracted protagonist's skeletons from source and target videos. Experiments with in-the-wild videos and the TaiChi dataset demonstrate that TeleMorpher achieves superior performance across both quantitative and qualitative measurements (real-human evaluation), underscoring its effectiveness.

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

The Hidden Power of Scaling Factor in LoRA Optimization

arXiv:2606.12883v1 Announce Type: new Abstract: In Low-Rank Adaptation (LoRA), the scaling factor $\alpha$ is often treated as a mere complement to the learning rate, yet its role in optimization remains poorly understood. In this paper, we reveal that the scaling factor $\alpha$ and the learning rate function differently, with $\alpha$ emerging as the dominant driver of effective optimization, delivering gains that cannot be replicated by learning rate scaling alone. Through the synergy of extensive empirical analysis and a theoretical Signal-Drift framework, we uncover three findings into LoRA's scaling mechanism: First, LoRA's spectral suppression smooths the optimization landscape, rendering standard hyperparameters overly conservative and creating an optimization gap. Second, when leveraging this smoothness to accelerate convergence, $\alpha$ outperforms the learning rate by amplifying the task signal without increasing the drift ratio. Third, the optimal scaling factor follows a sublinear relationship with the rank, well characterized by a square-root law with an unexpectedly large coefficient, revealing the insufficient scaling of existing rank-tied heuristics. Based on these insights, we propose LoRA-$\alpha$, a minimalist framework that restores $\alpha$ to its principled regime, making LoRA compatible with standard small learning rates. Extensive evaluations across diverse tasks demonstrate that LoRA-$\alpha$ consistently improves performance while streamlining hyperparameter search, unleashing the learning potential of LoRA.

12.
arXiv (CS.CV) 2026-06-17

Flux-Guard: Facial Identity Protection using diffusion models

The widespread deployment of face recognition (FR) systems exposes personal images shared on social media and public platforms to identity linkage and privacy risks. Existing adversarial privacy protection methods can degrade unauthorized FR performance but are not compatible with generative face editing. Artificial intelligence-driven face editing tools are gaining popularity, which has significantly increased user demand for personalized portrait generation and social sharing. However, current editing methods often preserve identity features, making the edited images still susceptible to tracking by malicious FR systems. Thus, this paper proposes Flux-Guard, a privacy-preserving face editing framework based on adversarial attacks, which integrates face editing and privacy protection within a unified generative process. Specifically, we design a flow trajectory control method to align semantic manipulations with the generative process and introduce latent-space adversarial optimization with an adaptive perceptual-loss-driven weighting strategy, dynamically adjusting adversarial strength to maximize attack effectiveness while preserving visual quality. Extensive experiments demonstrate that Flux-Guard supports face editing while significantly improving attack success rates against cross-domain face recognition models on the CelebA-HQ and LADN datasets. Furthermore, evaluation results for commercial APIs have confirmed its effectiveness in real-world applications. The code is released at https://github.com/JLMWang/Flux-Guard.

13.
arXiv (CS.LG) 2026-06-24

Similarity of Neural Network Representations in Superposition

arXiv:2604.00208v2 Announce Type: replace Abstract: Comparing internal representations is a central goal in neuroscience and machine learning, but standard linear alignment metrics (Representational Similarity Analysis, Centered Kernel Alignment, and linear regression) are frequently applied to neural activity coordinates rather than on the underlying features. We show this matters when neural systems operate in superposition, encoding more features than they have neurons via linear compression. Closed-form derivations prove that these metrics depend on the Gram matrices of each system's projection, not on the latent features themselves: alignment thus combines what a system represents with how it is encoded. For those interested in what features two systems share, this is a problem: Two networks can have identical feature content yet appear more dissimilar than networks exhibiting partial feature overlap. This apparent misalignment need not reflect lost information as compressed sensing guarantees sparse features remain recoverable from the compressed activity. We confirm this by training supervised TopK sparse autoencoders that realize solvable compressed sensing by construction, finding alignment on recovered latents restored even when raw-activation alignment remains deflated. We extend the result to unsupervised SAEs trained without ground-truth latents, and to pretrained vision and language model SAEs, where SAE-latent alignment exceeds raw-activation alignment, consistent with superposition in real systems.

14.
arXiv (math.PR) 2026-06-16

Universality in the target arrival statistics of non-conservative search processes

arXiv:2606.16025v1 Announce Type: cross Abstract: Stochastic search processes in which searchers are continuously introduced to and removed from a target search domain are fundamental to a wide class of physical and artificial systems. The theory of such non-conservative search processes is, however, much less developed than for search processes with a fixed number of particles. Here we exploit a natural mapping between non-conservative stochastic search and queueing theory to derive the full time-dependent distribution of target arrivals under minimal assumptions on the underlying search process. Remarkably, we find that the steady-state inter-arrival time distribution is exactly exponential, regardless of the details of the search process, showing a robust universality that emerges directly from the queueing framework. Thus, counterintuitively, the arrival statistics of a non-conservative search process are much simpler than sequential search-and-capture processes involving a fixed number of searchers. This has major implications for target resource accumulation, where the delivery of resources is counter-balanced by their downstream consumption.

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

Context-aware Modality-Topology Co-Alignment for Multimodal Attributed Graphs

Multimodal Attributed Graphs (MAGs) model real-world entities by coupling graph topology with heterogeneous attributes such as text and images. They support graph-centric tasks requiring structural and class-discriminative representations, and modality-centric tasks requiring fine-grained cross-modal correspondence. However, existing MAG methods often rely on fixed graph contexts or uniformly fused representations, causing task-agnostic propagation and over-compressed fusion that hinder diverse task requirements and modality-specific evidence preservation. To address this, we propose CoMAG, a unified MAG backbone that learns task-adaptive reliable contexts and modality-preserving alignment within them. CoMAG first conducts Reliable Context Learning by estimating edge reliability from multimodal semantic consistency, complementing raw topology with semantic neighbors, and selecting context components through a task-aware gate. It then performs Modality-preserving Hop-token Alignment by maintaining modality-specific multi-hop trajectories, matching modality-hop tokens across modalities, and decoupling shared and private representations. Thus, CoMAG produces graph and modality representations from one forward pass while retaining modality-specific cues. We further analyze stable propagation, over-smoothing mitigation, and modality-collapse control. Experiments on nine OpenMAG datasets compare CoMAG with feature-only, graph-only, multimodal, and unified MAG baselines across graph-level prediction, modality matching, and graph-conditioned generation. Results show that CoMAG achieves the best reported performance, demonstrating that task-adaptive reliable contexts and modality-preserving alignment improve structural prediction, cross-modal matching, and graph-conditioned generation while retaining sparse edge-linear complexity.

16.
bioRxiv (Bioinfo) 2026-06-23

EnrichViz: An Interactive R Shiny Application for Visualization of Pathway Enrichment Results from Omics Data

Authors:

Pathway and functional enrichment analysis is a cornerstone of omics data interpretation, enabling researchers to map differentially expressed proteins or genes onto curated biological processes, signaling cascades, and molecular functions. While tools such as Ingenuity Pathway Analysis (IPA), g:Profiler, and Enrichr are widely used to generate ranked enrichment results, translating these tabular outputs into clear, publication-ready figures remains a time-consuming step that typically requires custom scripting and familiarity with visualization libraries, a significant barrier for researchers without a computational background. Here we present EnrichViz, a self-contained, browser-based R Shiny application that enables interactive, code-free visualization of pathway and functional enrichment results from quantitative proteomics, transcriptomics, and metabolomics experiments. EnrichViz accepts three standard CSV files as input, a normalized abundance matrix, a sample annotation or metadata file, and enrichment results from any platform that exports tabular output, and produces six complementary, publication-ready visualizations: bar and bubble plots for ranking enriched terms by significance, chord diagrams for exploring pathway-molecule connectivity, clustered heatmaps for displaying Z-score normalized expression patterns across experimental groups, and boxplots or violin plots for examining the abundance distribution of individual proteins, genes, or metabolites. The application supports both raw p-values and pre-transformed -log10(p) values through automatic detection, and all plot parameters are adjustable in real time through a graphical sidebar. Every figure can be exported as a high-resolution PNG file at 300 dpi. EnrichViz is implemented in R using the Shiny, ggplot2, pheatmap, and circlize packages, and is freely available at https://rgmilian.shinyapps.io/EnrichViz/

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

Improving Detection of Rare Nodes in Hierarchical Multi-Label Learning

arXiv:2602.08986v2 Announce Type: replace-cross Abstract: In hierarchical multi-label classification, a persistent challenge is enabling model predictions to reach deeper levels of the hierarchy for more detailed or fine-grained classifications. This difficulty partly arises from the natural rarity of certain classes (or hierarchical nodes) and the hierarchical constraint that ensures child nodes are almost always less frequent than their parents. To address this, we propose a weighted loss objective for neural networks that combines node-wise imbalance weighting with focal weighting components, the latter leveraging modern quantification of ensemble uncertainties. By emphasizing rare nodes rather than rare observations (data points), and focusing on uncertain nodes for each model output distribution during training, we observe improvements in recall by up to a factor of five on benchmark datasets, along with statistically significant gains in $F_{1}$ score. We also show our approach aids convolutional networks on challenging tasks, as in situations with suboptimal encoders or limited data.

18.
arXiv (CS.CL) 2026-06-24

NatureBench: Can Coding Agents Match the Published SOTA of Nature-Family Papers?

We introduce NatureBench, a cross-discipline benchmark of 90 tasks distilled from peer-reviewed Nature-family publications, designed to evaluate whether AI coding agents can move beyond reproduction toward discovery on real scientific problems. NatureBench is built on NatureGym, an automated pipeline that constructs a standardized, per-task containerized environment from a source paper, addressing the environment-fragmentation problem that has limited the credibility of prior agent-on-research benchmarks. Evaluating ten frontier agent configurations under a strict web-search-disabled protocol, we find that the strongest model surpasses SOTA on only 17.8% of tasks under the g>0.1 criterion. Analysis of method pathways reveals that agents succeed primarily through methodological translation, converting scientific tasks into familiar supervised prediction problems, rather than through genuine scientific invention. Failures are dominated by wrong method choice and insufficient compute budget, not by task misunderstanding. We release the benchmark, the NatureGym pipeline, and a public leaderboard with maintainer-side reproduction. Code: https://github.com/FrontisAI/NatureBench

19.
arXiv (CS.AI) 2026-06-16

Beyond Case Law: Evaluating Structure-Aware Retrieval and Safety in Statute-Centric Legal QA

arXiv:2604.06173v2 Announce Type: replace-cross Abstract: Legal QA benchmarks have predominantly focused on case law, overlooking the unique challenges of statute-centric regulatory reasoning. In statutory domains, relevant evidence is distributed across hierarchically linked documents, creating a statutory retrieval gap where conventional retrievers fail and models often hallucinate under incomplete context. We introduce SearchFireSafety, a structure- and safety-aware benchmark for statute-centric legal QA. Instantiated on fire-safety regulations as a representative case, the benchmark evaluates whether models can retrieve hierarchically fragmented evidence and safely abstain when statutory context is insufficient. SearchFireSafety adopts a dual-source evaluation framework combining real-world questions that require citation-aware retrieval and synthetic partial-context scenarios that stress-test hallucination and refusal behavior. Experiments across multiple large language models show that graph-guided retrieval substantially improves performance, but also reveal a critical safety trade-off: domain-adapted models are more likely to hallucinate when key statutory evidence is missing. Our findings highlight the need for benchmarks that jointly evaluate hierarchical retrieval and model safety in statute-centric regulatory settings.

20.
arXiv (CS.CV) 2026-06-15

A Pragmatic VLA Foundation Model

Offering great potential in robotic manipulation, a capable Vision-Language-Action (VLA) foundation model is expected to faithfully generalize across tasks and platforms while ensuring cost efficiency (e.g., data and GPU hours required for adaptation). To this end, we develop LingBot-VLA with around 20,000 hours of real-world data from 9 popular dual-arm robot configurations. Through a systematic assessment on 3 robotic platforms, each completing 100 tasks with 130 post-training episodes per task, our model achieves clear superiority over competitors, showcasing its strong performance and broad generalizability. We have also built an efficient codebase, which delivers a throughput of 261 samples per second with an 8-GPU training setup, representing a 1.5~2.8$\times$ (depending on the relied VLM base model) speedup over existing VLA-oriented codebases. The above features ensure that our model is well-suited for real-world deployment. To advance the field of robot learning, we provide open access to the code, base model, and benchmark data, with a focus on enabling more challenging tasks and promoting sound evaluation standards.

21.
arXiv (CS.LG) 2026-06-17

RadSEM: A Finding-by-Finding Metric for Clinical Consistency in Radiology Reports

arXiv:2606.17062v1 Announce Type: cross Abstract: Radiology report evaluation must distinguish clinical compatibility from surface similarity, because negation, laterality, or normal-abnormal polarity can reverse a finding. We propose RadSEM (Radiology Sentence-Level Evaluation Metric), a constrained LLM-assisted metric for reference-based evaluation of radiology Findings. RadSEM rewrites reference and generated reports into ordered atomic finding sentences, each expressing one site-finding proposition. It then performs contradiction-constrained many-to-many matching: incompatible pairs such as "effusion" and "no effusion" receive no credit, while compatible granularity differences can receive partial credit. A deterministic stage weights pairs by part-whole and abnormal-detail relationships, counts unmatched findings, and produces an abnormal-focused weighted F1 score. Thus, the LLM supports structured rewriting and local alignment rather than acting as an opaque judge. We evaluate RadSEM with SSREE, a controlled monotonicity stress test built from 2,448 de-identified reports expanded into five graded corruption levels. RadSEM achieves Kendall tau_b of 0.957, all-pairs concordance of 97.8%, adjacent concordance of 95.0%, and strict five-level ordering for 81.9% of reports, outperforming radiology-specific and general text metrics while avoiding the failure in which polarity-inverted reports regain lexical overlap. On the same SSREE set, RadSEM outperforms the Ref-anchored RadSEM-Alt policy, improving adjacent concordance from 90.7% to 95.0% and strict ordering from 67.2% to 81.9%. On a 599-triplet synonym/antonym subset, RadSEM prefers synonyms in 597 cases (99.67%). These results suggest that explicit finding units, contradiction-aware matching, and abnormal-focused deterministic scoring make report scoring more interpretable and sensitive to clinically meaningful errors. Code is available at https://github.com/jdh-algo/RadSEM.

22.
arXiv (CS.AI) 2026-06-17

Comprehensive pKa Data Augmentation from Limited Real Data through an Engineered Models-Quantum Framework

arXiv:2606.17077v1 Announce Type: cross Abstract: Proton dissociation constants (pKa) are critical for functional molecule discovery and molecular modeling. Building on iBonD, the largest experimental pKa database established, we and other researchers have developed several methods including machine-learning-based empirical prediction and high-accuracy energy calculations. Despite this foundation, the rapid augmentation of high-quality pKa data remains fundamentally constrained. As part of this work, we performed large-scale regression-based pKa prediction on unlabeled molecular datasets using a collection of extensively optimized machine-learning models. The results indicate that, since the feature distributions of unlabeled molecular datasets, the pKa data distribution approximates normality, with extreme scarcity of tail-region samples. Although such augmentation is highly valuable for improving overall data availability and predictive modeling, it remains insufficient for efficiently discovering molecules with broad-spectrum pKa properties. To address this, we explore the targeted generation of molecules with sparse pKa properties from the vast chemical space. Given that traditional continuous latent space VAE-RNN methods for molecular generation suffer from insufficient stability and fail to demonstrate clear advantages in complementing sparse data, we design and implement a quantum-assisted sparse-pKa molecular generation. Feasibility is validated on a simulated quantum annealer, and superior extreme-value sampling is further achieved on physical coherent Ising machines (CIMs). (to be continued)

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

TurboGS: Accelerating 3D Gaussian Splatting via Error-Guided Sparse Pixel Sampling and Optimization

Consumer-level applications require fast optimization of 3D Gaussian Splatting (3DGS) with high-fidelity novel view rendering. However, existing 3DGS acceleration approaches still incur substantial computation on redundant pixels while sacrificing fine details. In this paper, we present TurboGS, an error-guided training framework that accelerates 3DGS by concentrating optimization on perceptually informative pixels. TurboGS is built upon four core components: (1) a tile-wise sparse pixel sampling, which, driven by multi-view reconstruction errors during training, prioritizes challenging regions and skips well-reconstructed ones to avoid redundant gradient computation; (2) a tile-wise structure-aware loss with sparse Normalized Cross-Correlation, which provides sparse yet effective supervision to preserve fine details and stabilize training; (3) an error-driven Gaussian density control strategy, which dynamically allocates model capacity and removes redundant primitives; and (4) a tailored hybrid optimizer that couples Hessian-informed updates with Adam moment damping to stabilize and improve convergence under sparse supervision. Experiments on standard benchmarks demonstrate that TurboGS can deliver on par or superior rendering quality within 100 seconds on a single RTX 5090 GPU card (up to 10x training speedup over vanilla 3DGS).

24.
arXiv (quant-ph) 2026-06-17

Universal features of high-energy scattering of Laguerre-Gaussian states

arXiv:2604.00575v2 Announce Type: replace-cross Abstract: Vortex states of photons, electrons, and other particles are wave packets that carry intrinsic orbital angular momentum (OAM) and exhibit other features unavailable for plane waves. Collisions of high-energy vortex states can become a promising tool for nuclear and particle physics, once experimental challenges are overcome. An extensive literature exists on scattering processes involving vortex states; however, most works rely on assumptions that will be challenging to achieve in experiment. In this work, we initiate a systematic re-analysis of vortex-state scattering processes using paraxial Laguerre-Gaussian (LG) wave packets colliding at a non-zero impact parameter $b$. Since the total final transverse momentum $P_\perp$ is no longer fixed, we focus on how the differential cross section depends on $P_\perp$. We emphasize that non-trivial $P_\perp$-dependent features can originate either from the shape of the LG wave packets or from the dynamics of the scattering process under interest. Here, we focus on the former source and explore in detail these universal kinematic features, while the study of process-specific modifications, along with the novel insights they may bring, is delegated to a future work. Interestingly, the non-zero impact parameter $b$ plays a key role in many $P_\perp$-dependent effects, making it a useful probe of vortex states, not a nuisance factor as often assumed.

25.
arXiv (CS.AI) 2026-06-17

AUTOGATE: Automated Clock Gating via Toggling-Aware LLM-based RTL Rewriting

arXiv:2606.17461v1 Announce Type: cross Abstract: Fine-grain clock gating (FGCG) is among the most effective techniques for reducing dynamic power, yet current FGCG optimization flows remain largely manual. Recent LLM-based RTL optimization approaches remain limited by two key drawbacks: (1) the inability to process long waveform traces spanning millions of cycles, and (2) the difficulty of scaling optimization to large hierarchical codebases while preserving correctness. In this work, we present AUTOGATE, the first agentic framework for industry-grade RTL power optimization, enabling workload-aware clock-gating optimization across large hierarchical codebases. AUTOGATE introduces a Machine Learning (ML)-LLM co-design that bridges waveform-level analysis and RTL rewriting. Specifically, we design an ML-based clustering algorithm that distills raw toggling traces into compact, structured representations that guide LLM-based RTL rewriting. This enables accurate identification and application of clock-gating opportunities without requiring LLMs to directly process raw waveform data. To enhance scalability, AUTOGATE employs a hierarchical multi-agent architecture that decomposes large designs into independently optimizable modules, enabling coordinated optimization across deep design hierarchies. We evaluate AUTOGATE on a diverse set of designs ranging from small RTL designs to large industrial-grade codebases. Experimental results show that AUTOGATE consistently reduces dynamic power relative to baselines. Across the small-design suite, AUTOGATE reduces dynamic power by 49.31% on average. On industry-scale designs, it achieves 19.34% and 7.96% dynamic power reductions on NVDLA and BlackParrot, respectively, and up to 6.86% on highly optimized proprietary production designs.