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01.
arXiv (CS.CL) 2026-06-18

Phonikud: Overcoming Phonetic Underspecification for Hebrew Text-To-Speech

作者:
Yakov Kolani↗Maxim Melichov↗Cobi Calev↗Morris Alper↗

Text-to-speech (TTS) for Modern Hebrew is challenged by the language's orthographic complexity, with existing solutions ignoring underspecified phonetic features such as stress. We present a framework for more phonetically accurate Hebrew TTS with four contributions: (1) Phonikud, an open-source Hebrew grapheme-to-phoneme (G2P) system that outputs fully-specified International Phonetic Alphabet (IPA) transcriptions, designed by augmenting a base diacritizer. (2) The ILSpeech corpus of paired Hebrew audio, text, and expert IPA annotations. (3) A benchmark for the previously unmeasured task of Hebrew G2P conversion. (4) Hebrew audio-to-IPA models capturing previously disregarded phonetic details for automatic TTS evaluation. Our results show that Phonikud more accurately predicts Hebrew phonemes than prior methods, and that small, local TTS models with phonetic input from Phonikud approach large proprietary systems. We release our code, data, and models at https://phonikud.github.io.

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

CRAX: Fast Safe Reinforcement Learning Benchmarking

作者:
Tristan Tomilin↗Mourad Boustani↗Mickey Beurskens↗Thiago D. Sim\~ao↗

arXiv:2606.20376v1 Announce Type: cross Abstract: Safety is a core concern for deploying reinforcement learning (RL) agents in real-world domains such as robotics and autonomous driving. While benchmarks have been central to progress in RL, existing safety benchmarks with high-fidelity 3D physics remain computationally slow, limiting large-scale experimentation and rapid prototyping. To address this gap, we propose CRAX (Constrained RL Accelerated with JAX). Built on top of the MuJoCo XLA (MJX) physics engine with realistic 3D dynamics, CRAX leverages vectorized operations and hardware acceleration, yielding up to ~100x speedups over comparable CPU-based safety benchmarks. The benchmark features six environment suites and three agent-specific tasks, each spanning three difficulty levels. Evaluating six popular safe RL methods shows that no single approach dominates across all tasks, and reveals the trade-offs between performance and safety. We find that curriculum learning across difficulty levels and safety transfer can improve performance over direct training in harder settings.

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04.
medRxiv (Medicine) 2026-06-15

Mucosal and Systemic Antibodies Associated with Clinical Protection in a Pertussis Controlled Human Infection Model

作者:
Milletich↗P. L↗ElSherif↗M. S↗Marx↗Caulfield↗Hariri↗Halperin↗S. S↗Pasetti↗M. F↗

Background The engagement of mucosal and systemic immunity in preventing Bordetella pertussis colonization and infection in humans, the impact of prior vaccination on host immunity and protective outcomes, and the dynamics of the host response following exposure remain poorly understood. Methods Healthy adults were challenged with increasing colony-forming units (CFUs) doses, 106-108, of B. pertussis D420 intranasally (NCT05136599). Shedding (PCR and culturing) and symptom development were monitored up to 21 days post-challenge. Serum and nasal wash IgA and IgG were measured before challenge (baseline) and up to 6 months post-challenge. Findings Antibodies increased post-challenge only in infected individuals, primarily nasal IgA. Participants who remained uninfected had higher baseline levels of filamentous hemagglutinin (FHA)- specific mucosal IgA and IgG, and higher serum IgA against fimbriae 2/3 (FIM). FHA was negatively associated with bacterial load and was a key discriminator between shedders and non-shedders, up to one week post-challenge. By day 14 post-challenge, pertussis toxin (PT) IgG and FIM IgA in both serum and mucosal samples were negatively associated with bacterial colonization. The majority (96.7%) of acellular pertussis (aP) vaccine recipients (n=23, median age 2.0 years) became infected, compared to 69.4% of those who received whole-cell pertussis vaccine (n=36; median age 32.0 years), and their antibody responses remained distinct following infection. Interpretation Nasal FHA antibodies emerged as early predictors of protection against pertussis infection, while PT IgG and FIM IgA antibodies may reflect clearance after infection. aP-primed individuals were more susceptible to infection, despite their younger age and more recent vaccination. Funding CDC Contract #75D30122C15467 and CDC IPA Agreement #24IPA2417512 Disclaimer: The findings and conclusions in this report are those of the authors and do not necessarily represent the official position of the Centers for Disease Control and Prevention, US Department of Health and Human Services.

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05.
bioRxiv (Bioinfo) 2026-06-16

DMcloud: Macromolecular Structure Modeling Using Local Structure Fitting for Medium to Low Resolution cryo-EM maps

作者:
Terashi↗Wang↗Zhang↗Zhu↗Hong Park↗Kihara↗

Cryogenic electron microscopy (cryo-EM) has become an essential experimental approach in structural biology for determining macromolecular structures. When the resolution of a cryo-EM map is worse than approximately 5[A], fitting known or predicted molecular models into the map becomes a common strategy for interpretation. However, accurately fitting biomolecular models into cryo-EM maps, particularly for large macromolecular complexes, remains challenging when the input structure models contain errors or are in a conformation different from that represented in the map. Here, we present DMcloud, a method for local structure fitting of proteins and nucleic acids in cryo-EM maps. Instead of forcing an entire input model into the map, DMcloud divides input structures into local regions, identifies regions that are supported by the density, removes unsupported regions, and assembles the retained regions into a final model. We benchmarked DMcloud on 176 cryo-EM maps, including intermediate and high-resolution maps that include proteins, DNAs, or RNAs. For EM maps in the 5.0-10.0 [A] and 2.5-5.0 [A] resolution ranges, DMcloud achieved average sequence modeling coverage of 0.49 and 0.70, respectively. For DNA/RNA maps, DMcloud achieved an average sequence coverage of 0.75. Across all datasets, DMcloud consistently outperformed existing methods in model accuracy, map-model correlation, and modeling coverage.

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

Helping Figures Tell their Story! Paper-Grounded Video Generation Explaining Complex Scientific Figures

作者:
Ishani Mondal↗Javad Baghirov↗Jordan Boyd-Graber↗

Scientific figures compress complex pipelines into a single canvas, yet understanding them requires paper-grounded, step-by-step narration aligned with visual highlights a capability missing from current video generation systems and benchmarks. To address this, we introduce paper-grounded figure-to-video generation: generating narrated, region-grounded walkthrough videos from a figure and its paper. We propose MINARD (Multimodal Interpretation of Narrated Architecture via Region Decomposition), a pipeline that generates paper-grounded narrations and sequentially grounds them to figure regions. We also release FigTalk, a benchmark with new sequential and component-level grounding metrics derived. On FigTalk, MINARD generates humanlike, paper-faithful narrations and outperforms narration-conditioned figure spatial grounding compared to existing approaches in both automatic and human evaluation

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07.
arXiv (CS.AI) 2026-06-19

Analyzing the Narration Gap in LLM-Solver Loops

作者:
Zunchen Huang↗Songgaojun Deng↗

arXiv:2606.19588v1 Announce Type: new Abstract: Formal tools such as SAT and SMT solvers are increasingly embedded in language model reasoning pipelines when a safety or security critical question can be formulated in logic. Unlike chain of thought whose steps are sampled from the model distribution without formal guarantee, a solver produces a sound and independently verifiable answer. However, the soundness guarantee can be lost in the interaction between the solver and the model. The hybrid pipeline has three components: formalizing the question, deciding it, and narrating the result. Prior work has studied the formalization and decision, but not narration, which is the step that turns a formal tool's output into the user answer. To fill the narration gap, we first model the LLM-solver loop as a verified decision procedure. We further evaluate five open-sourced models under prompt injection, and we find certificate gating makes the solver verdict sound, while an adversary can invert a verified conclusion across phrasings and channels. We study the mitigation through hardened prompt that reduces injection significantly but cannot eliminate it and still suffers under adaptive attack. Combining the formal analysis and empirical studies, we show in the LLM-solver loop, robustness does not reach to the answer that the user finally reads.

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08.
arXiv (CS.CV) 2026-06-12

Modality-Aware Feature Matching in Visual and Vision-Language Applications: A Comprehensive Survey

作者:
Weide Liu↗Wei Zhou↗Jun Liu↗Ping Hu↗Jun Cheng↗Jungong Han↗Weisi Lin↗

Feature matching is a cornerstone task in computer vision, essential for applications such as image retrieval, stereo matching, 3D reconstruction, and SLAM. This survey comprehensively reviews modality-based feature matching, exploring traditional handcrafted methods and emphasizing contemporary deep learning approaches across various modalities, including RGB images, depth images, 3D point clouds, LiDAR scans, medical images, and vision-language interactions. Traditional methods, leveraging detectors like Harris corners and descriptors such as SIFT and ORB, demonstrate robustness under moderate intra-modality variations but struggle with significant modality gaps. Contemporary deep learning-based methods, exemplified by detector-free strategies like CNN-based SuperPoint and transformer-based LoFTR, substantially improve robustness and adaptability across modalities. We highlight modality-aware advancements, such as geometric and depth-specific descriptors for depth images, sparse and dense learning methods for 3D point clouds, attention-enhanced neural networks for LiDAR scans, and specialized solutions like the MIND descriptor for complex medical image matching. Cross-modal applications, particularly in medical image registration and vision-language tasks, underscore the evolution of feature matching to handle increasingly diverse data interactions.

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09.
arXiv (CS.CV) 2026-06-11

Temporal2Seq: A Unified Framework for Temporal Video Understanding Tasks

作者:
Min Yang↗Zichen Zhang↗Qian Dang↗Limin Wang↗

With the development of video understanding, there is a proliferation of tasks for clip-level temporal video analysis, including temporal action detection (TAD), temporal action segmentation (TAS), and generic event boundary detection (GEBD). While task-specific video understanding models have exhibited outstanding performance in each task, there remains a dearth of a unified framework capable of simultaneously addressing multiple tasks, which is a promising direction for the next generation of AI. To this end, in this paper, we propose a single unified framework, coined as Temporal2Seq, to formulate the output of these temporal video understanding tasks as a sequence of discrete tokens. With this unified token representation, Temporal2Seq can train a generalist model within a single architecture on different video understanding tasks. In the absence of multi-task learning (MTL) benchmarks, we compile a comprehensive co-training dataset by borrowing the datasets from TAD, TAS, and GEBD tasks. We evaluate our Temporal2Seq generalist model on the corresponding test sets of three tasks, demonstrating that Temporal2Seq can produce reasonable results on various tasks and achieve advantages compared with single-task training on this framework. We also investigate the generalization performance of our generalist model on new datasets from different tasks, which yields superior performance to the specific model.

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10.
bioRxiv (Bioinfo) 2026-06-16

AutoZyme: An Autonomous Agentic Framework to Optimize Bioinformatics Software

作者:
Xie↗Cheng↗Cai↗Shireman↗Kendziorski↗

Performance bottlenecks in widely used genomics and bioinformatics software present a substantial and growing burden as biological datasets continue to increase in size and number. Relieving these bottlenecks relies largely on expert manual optimization and therefore remains difficult to scale. Here we present AutoZyme, an agentic framework for scientific software optimization. Given a target function, AutoZyme builds benchmarks, identifies bottlenecks, and iteratively tests code changes, retaining only those that improve runtime while preserving output. We evaluated AutoZyme on 45 functions, improving runtime without substantial memory increases in over 95% of cases considered. Across 38 functions from Seurat, Scanpy and related packages in genomics and bioinformatics, AutoZyme reduced runtime by a median of 8.52-fold, with the largest reductions exceeding 676-fold. The optimized functions are distributed through AutoZyme-Library as drop-in replacements for existing analysis pipelines. We also release AutoZyme as a reusable framework for optimizing additional user-specified packages and functions.

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

FacProcessTwin: An LLM-Based System for Process Twin Development

作者:
Yash Pulse↗Yong-Bin Kang↗Abhik Banerjee↗Prem Prakash Jayaraman↗

arXiv:2606.17666v1 Announce Type: cross Abstract: Process twins provide real-time representations of entire production processes. By capturing how process steps interact, rather than monitoring a single machine in isolation as an asset-based digital twin does, they have the potential to drive efficiency gains across the whole process. However, developing a process twin is costly. It requires accurately modelling the entire production process: its process steps, the equipment and product-specific settings each step uses, and its process variations. The resulting model must then be bound to live operational data. We present FacProcessTwin, a system that leverages a large language model (LLM) to reduce this development time, building a process twin from a plant's process documentation and natural-language input from an operator. FacProcessTwin generates this complete process model and then automatically binds its process steps to live operational data. The generated model and its data bindings are rendered as an interactive process diagram through which manufacturing personnel can monitor and correct the system's autonomous decisions, such as resolving uncertainty at safety-critical binding steps. We evaluate FacProcessTwin through a real-world case study of an Australian food manufacturer, covering 16 production process flows that span chilled, frozen, and aseptic shelf-stable product categories and include process variations within the same product. The results show that FacProcessTwin generates these process models accurately (a mean F1 of 95.2% against ground truth) and builds each twin in roughly a sixth of the manual time. Its human-in-the-loop governance then keeps the safety-critical bindings correct: at ambiguous tags where a single-pass baseline silently mis-binds 75.0% of the time, FacProcessTwin defers to the operator and mis-binds none.

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

Stochastic Schrödinger Diffusion Models for Pure-State Ensemble Generation

作者:
Jian Xu↗Wei Chen↗Shigui Li↗Chao Li↗Jingyuan Zheng↗Delu Zeng↗John Paisley↗Qibin Zhao↗

arXiv:2605.03573v3 Announce Type: replace-cross Abstract: Quantum machine learning increasingly relies on pure-state representations, motivating generative models that sample directly in quantum representation space rather than perturbing classical inputs and re-encoding. We introduce Stochastic Schrödinger Diffusion Models (SSDMs), a score-based generative framework that defines diffusion, scores, and reverse-time sampling intrinsically on the complex projective manifold $\mathbb{CP}^{d-1}$ under the Fubini–Study metric. SSDMs combine a Riemannian Ornstein–Uhlenbeck forward diffusion with a stochastic Schrödinger realization, and learn reverse-time dynamics driven by the Riemannian score. Our central technical contribution is a local-time learning objective that exploits the local Euclidean OU limit of intrinsic manifold diffusions in Fubini-Study normal coordinates to obtain an analytic teacher score, bypassing the intractable transition densities that limit existing Riemannian score-based models. Across synthetic, physics-inspired (TFIM, XXZ), and quantum feature-state benchmarks up to $14$ qubits, SSDMs match target pure-state ensembles by orders of magnitude on MMD and observable statistics over both ambient Euclidean and matched Riemannian score-based baselines, and improve representation-level diagnostics for downstream quantum kernel methods.

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13.
arXiv (CS.CV) 2026-06-19

SAM3 Self-Distillation for Fine-Grained GOOSE 2D Semantic Segmentation

作者:
Xuesong Wang↗

We describe our 4th-place entry to the ICRA 2026 GOOSE 2D Fine-Grained Semantic Segmentation Challenge, which reached a composite mean Intersection-over-Union (mIoU) of 69.73% on the official 1,815-image test set. Our model adapts the image encoder of a recent visual foundation model, Segment Anything Model 3 (SAM3), with a lightweight decoder. Beyond this, we contribute two techniques and one empirical finding: (i) a self-distillation scheme that re-uses SAM3 itself, prompted with ground-truth boxes, as a teacher on the classes where it outperforms our own model; (ii) an image-level multi-scale test-time augmentation scheme that restores multi-scale inference for a fixed-input-size model by rescaling the image rather than the model input; and (iii) the finding that an aggressive photometric distortion from a winning 2025 GOOSE 2D entry, transplanted onto our pipeline, is its single largest source of improvement.

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14.
arXiv (CS.AI) 2026-06-12

Multi-Agent Reinforcement Learning from Delayed Marketplace Feedback for Objective-Weight Adaptation in Three-Sided Dispatch

作者:
Haochen Wu↗Yi Hou↗Shiguang Xie↗

arXiv:2606.13604v1 Announce Type: new Abstract: Dispatch in three-sided marketplaces provides a natural setting for reinforcement learning from world feedback: decisions are evaluated by delayed operational outcomes such as delivery speed, courier utilization, and merchant congestion. We present a deployed reinforcement learning system at DoorDash that adapts dispatch objective weights in a large-scale food-delivery marketplace using delayed signals. Rather than replacing the combinatorial assignment optimizer, a store-level policy learned from logged marketplace data selects a discrete multiplier that shifts the dispatch optimizer's tradeoff between delivery quality and batching efficiency. This interface enables offline policy learning under noisy, delayed, and coupled feedback while preserving production feasibility constraints and operational safeguards. We train a shared value function using centralized offline data and decentralized store-level execution, with Double Q-learning targets and a conservative regularizer to reduce out-of-distribution value overestimation. In a production switchback experiment, the offline-trained policy increases batching and reduces courier-side time costs without degrading customer-facing delivery quality. Results illustrate how world feedback from a live economic and logistics system can be used to safely adapt decision policies online.

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15.
arXiv (quant-ph) 2026-06-16

Ultracold atomic lattice systems for simulating topological phases: A review

作者:
Bei-Bei Wang↗Xiao-Dong Lin↗Jinyi Zhang↗Long Zhang↗

arXiv:2606.16598v1 Announce Type: cross Abstract: Owing to rapid recent progress, ultracold atomic lattice systems for simulating topological phases are now at a pivotal stage, evolving from established paradigms into increasingly versatile and programmable quantum simulators. In this review, we survey recent experimental advances across four major classes of platforms: optical lattices, including optical lattices with laser-assisted tunneling and optical Raman lattices; synthetic lattices in momentum or internal-state space; Floquet-engineered lattices; and optical tweezer arrays, all of which offer distinct capabilities for realizing and probing topological matter. For each class, we highlight representative experimental breakthroughs, the topological models that have been realized, and the advanced detection and characterization techniques employed, emphasizing how these complementary approaches collectively expand the frontier of quantum simulation. We also discuss emerging directions in strongly correlated and nonequilibrium topological phases, and conclude with an outlook on future prospects.

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16.
arXiv (quant-ph) 2026-06-11

Machine-learned, finite temperature Fermi-operator expansions suitable for GPUs and AI-hardware

作者:
Stanislaw Kowalski↗Christian F. A. Negre↗Anders M. N. Niklasson↗Kipton Barros↗Joshua Finkelstein↗

arXiv:2605.08523v2 Announce Type: replace Abstract: We present several finite-temperature recursive Fermi-operator expansion schemes based on the second-order spectral projection (SP2) method. Our approach builds on a previous observation that the electronic structure problem, as formulated through a recursive SP2 expansion, can be mapped onto the architecture of a deep neural network. Using this perspective, we generalize SP2 to finite electronic temperatures by constructing machine learning models that determine optimized recursive expansion coefficients. The same approach is also applied to the prediction of the electronic entropy for fractional occupation numbers. The coefficients are trained for a specified chemical potential and electronic temperature and are not available in closed analytical form. However, by employing an appropriate affine rescaling strategy to the Hamiltonian matrix, we eliminate the need to retrain the model for different temperatures and chemical potentials. Our approach avoids explicit diagonalization and relies solely on highly optimized matrix-matrix multiplication kernels. Compared to state-of-the-art diagonalization, we achieve an order-of-magnitude speedup in the single-particle finite-temperature density matrix calculation for small and moderately sized matrices on modern GPUs and dense matrix multiply units.

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17.
medRxiv (Medicine) 2026-06-15

Long-read sequencing enables high-accuracy mitochondrial heteroplasmy detection in Parkinson's disease

作者:
Lüth↗Schaake↗Much↗Belyea↗M. M↗Seibler↗Grünewald↗May↗Klein↗Weissensteiner↗Trinh↗

Background: Low-frequency heteroplasmic mitochondrial DNA (mtDNA) variants are associated with aging and neurological diseases, including Parkinson's disease (PD). Targeted deep mtDNA sequencing using PacBio HiFi long reads has the potential to resolve heteroplasmy across the full mitochondrial genome with high accuracy. Methods: To validate Vega PacBio sequencing for detecting mtDNA heteroplasmy, we analyzed four predefined mixtures of two mtDNA haplotypes. We generated a single long-range PCR amplicon covering the entire mitochondrial genome. These amplicons were mixed at predefined ratios (minor mixture haplotype component: 5%, 2%, 1%, and 0.1%). Variant calling was performed using Mutserve2, and accuracy was assessed by calculating the F1 score from comparisons between expected and detected variants. Full-length mtDNA PacBio sequencing was applied to investigate heteroplasmy across fibroblast passages derived from five LRRK2 p.Gly2019Ser variant carriers (n=3 affected with PD and n=2 unaffected carriers). Changes in mtDNA heteroplasmy level and variant load were assessed longitudinally using a linear mixed model. Results: The single-amplicon approach enabled full-length haplotype resolution without amplification bias associated with overlapping PCR strategies. The F1 score of the predefined mixtures was 1.0 for heteroplasmy levels between 5% and 1% and remained high (0.91) at 0.1%. We detected n=10/62 variants discordant with the Illumina reference at the 0.1% mixture, but sensitivity remained very high at 1.00 in that mixture. Detected minor variants closely matched expected heteroplasmy levels, with average variant levels of 0.057 (5%), 0.022 (2%), 0.011 (1%), and 0.001 (0.1%). Across twelve fibroblast passages, we observed fewer mtDNA heteroplasmic variants ({beta}=-3.2, p=0.026). Increased heteroplasmic variant load over time was also associated with older age ({beta}=1.50, p=0.001) and PD affection status ({beta}=5.0, p=1.0 x 10-4) in LRRK2 variant carriers. Notably, we observed distinct patterns of heteroplasmic variants that either increased or decreased in heteroplasmy level across passages. Conclusion: PacBio HiFi sequencing, combined with a single-amplicon strategy, enables accurate full-length mtDNA heteroplasmy detection and longitudinal analysis, providing a valuable tool for studying mitochondrial variation and dynamics in disease.

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18.
arXiv (CS.LG) 2026-06-17

Statistical Learning from Attribution Sets

作者:
Lorne Applebaum↗Robert Busa-Fekete↗August Y. Chen↗Claudio Gentile↗Tomer Koren↗Aryan Mokhtari↗

arXiv:2602.06276v2 Announce Type: replace Abstract: We address the problem of training conversion prediction models in advertising domains under privacy constraints, where direct links between ad clicks and conversions are unavailable. Motivated by privacy-preserving browser APIs and the deprecation of third-party cookies, we study a setting where the learner observes a sequence of clicks and a sequence of conversions, but can only link a conversion to a set of candidate clicks (an attribution set) rather than a unique source. We formalize this as learning from attribution sets generated by an oblivious adversary equipped with a prior distribution over the candidates. Despite the lack of explicit labels, we construct an unbiased estimator of the population loss from these coarse signals via a novel approach. Leveraging this estimator, we show that Empirical Risk Minimization achieves generalization guarantees that scale with the informativeness of the prior and is also robust against estimation errors in the prior, despite complex dependencies among attribution sets. Simple empirical evaluations on standard datasets suggest our unbiased approach significantly outperforms common industry heuristics, particularly in regimes where attribution sets are large or overlapping.

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19.
arXiv (quant-ph) 2026-06-12

Coulomb crystallization of xenon highly charged ions in a laser-cooled Ca+ matrix

作者:
Leonid Prokhorov↗Aaron A. Smith↗Mingyao Xu↗Kostas Georgiou↗Vera Guarrera↗Lakshmi P. Kozhiparambil Sajith↗Elwin A. Dijck↗Christian Warnecke↗Malte Wehrheim↗Alexander Wilzewski↗Laura Blackburn↗Matthias Keller↗…

arXiv:2512.12266v2 Announce Type: replace-cross Abstract: We report on the sympathetic cooling and Coulomb crystallization of xenon highly charged ions (HCIs) with laser-cooled Ca$^+$ ions. The HCIs are produced in a compact electron beam ion trap, then charge selected, decelerated, and finally injected into a cryogenic linear Paul trap. There, they are captured into $^{40}$Ca$^+$ Coulomb crystals, and co-crystallized within them, causing dark voids in their fluorescence images. Fine control over the number of trapped ions and HCIs allows us to realize mixed-species crystals with arbitrary ordering patterns. By investigating Xe$^{q+}$–Ca$^+$ strings, we confirm the HCI charge states, measure their lifetime and characterize the mixed-species motional modes. Our system effectively combines the established quantum control toolbox for Ca$^+$ with the rich set of atomic properties of Xe highly charged ions, providing a resourceful platform for optical frequency metrology, searches for signatures of new physics, and quantum information science.

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

PepALD: Macrocyclic Peptide Generation via Autoregressive Latent Diffusion

作者:
Junming Zhang↗Siyu Yi↗Wei Ju↗Zhonghui Gu↗

arXiv:2606.14510v1 Announce Type: new Abstract: Macrocyclic peptides are promising therapeutic candidates for intracellular targets, but their design requires simultaneous control over non-natural monomer chemistry, ring topology, membrane permeability, and target binding. Existing SMILES- or HELM-string generative models either operate in long atom-level sequence spaces or treat monomers as symbolic tokens with limited chemical grounding. We introduce PepALD, an Autoregressive Latent Diffusion (ALD) foundation model for de novo macrocyclic peptide generation. The model represents HELM monomers with structured chemical embeddings, generates each residue through context-conditioned diffusion in chemically informed latent space, predicts R-group-aware ring closures during autoregressive generation, and aligns the denoiser to affinity rewards using winner-protected diffusion-adapted preference optimization. In silico experiments demonstrate PepALD's generation quality and reward-optimization performance against representative peptide generation baselines.

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

Gradient boosting for extremes: sampling theory and application to insurance

作者:
St\'ephane Lhaut↗Olivier Lopez↗

arXiv:2606.14268v1 Announce Type: cross Abstract: We develop a statistical learning theory for gradient boosting applied to the estimation of covariate-dependent Generalized Pareto (GP) distributions in the context of Peaks-over-Threshold modeling. After an orthogonal reparametrization of the GP likelihood that diagonalizes its Fisher information matrix, we cast the estimation problem within the Empirical Risk Minimization (ERM) framework and derive non-asymptotic error bounds for the boosting estimator. Our analysis accounts for three distinct sources of error in the process: statistical fluctuations, the approximation bias inherent to the asymptotic nature of the GP model-controlled under second-order regular variation-and the approximation error associated with the finite number of boosting iterates, making explicit the resulting bias-variance trade-off. We illustrate the practical benefits of the reparametrization through simulations, showing that it significantly reduces gradient correlation during training and improves convergence stability. The methodology is applied to a medical malpractice insurance dataset from the Texas Department of Insurance, comprising over 18 000 closed claims. The gradient boosting approach yields a good fit for the tail of settlement cost distributions and reveals that the number of days to settlement is the dominant predictor of tail heaviness, consistent with earlier findings in the reserving literature.

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

GridVQA-X: A Framework for Evaluating Multimodal Explainability Methods

作者:
Sujay Belsare↗Sudarshan Nikhil↗Sushant Kumar↗Ponnurangam Kumaraguru↗Chirag Agarwal↗

With the increasing development of Vision-Language Models, it becomes imperative that their predictions are readily explainable to relevant stakeholders. However, the field of explainability has not kept pace with the multimodal surge. While recent Multimodal Explainable AI (MxAI) methods generate explanations to attribute the interaction between different modalities, current evaluation protocols lack the ground truth required to distinguish between true cross-modal reasoning (e.g., spatial composition) and shallow cross-modal shortcuts (e.g., Bag-of-Words attribute matching). It remains unknown whether MxAI methods faithfully capture synergistic interactions or merely hallucinate reasoning on models acting as simple feature detectors. In this paper, we introduce GridVQA-X, the first diagnostic framework specifically designed to evaluate cross-modal explainability. Unlike natural datasets, GridVQA-X leverages a closed-world synthesis logic to generate unique, mathematically guaranteed explanations. We utilize this controlled environment to train paired ground-truth models on identical architectures: $M_{pure}$, which learns robust spatial-relational reasoning and $M_{spur}$, which is structurally forced to rely on cross-modal shortcuts. This behavioral divergence creates a rigorous testbed: a faithful explainer must report distinct reasoning pathways for each model. Our findings reveal that widely used methods fail to distinguish between models relying on genuine spatial-relational reasoning and those exploiting cross-modal shortcuts, highlighting a critical gap in capturing true cross-modal synergy and misrepresenting how multimodal models actually make decisions.

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23.
bioRxiv (Bioinfo) 2026-06-21

ReSeT: a taxonomy-aware reference genome selection tool

作者:
van Bemmelen↗Baaijens↗J. A↗

Motivation: Reference genome composition determines which taxa a profiling pipeline can detect and distinguish, and becomes of critical importance for high-resolution profiling where taxonomic boundaries begin to blur. Existing selection tools optimize within-taxon representativeness but disregard discrimination across taxa, leaving open whether explicitly accounting for inter-taxon discrimination during selection improves profiling. Results: Here we present ReSeT, a facility-location-based reference genome selection tool that operates on arbitrary pairwise distance matrices, extended with a tunable inter-taxon discrimination term and per-genome selection cost, and solved by local search. We benchmark ReSeT against established selection methods on three viral datasets spanning varying degrees of taxonomic ambiguity. On the high-ambiguity SARS-CoV-2 datasets, appropriately tuned ReSeT selections matched or exceeded the strongest alternatives in terms of profiling accuracy, whereas on the low ambiguity IAV dataset VSEARCH remained dominant. Interestingly, we find that the novel inter-taxon discrimination term contributed weakly, indicating that ReSeT's facility-location formulation and selection cost drives ReSeT's performance. We further propose a novel taxonomic ambiguity index, computable from ReSeT's inputs, that summarizes the taxonomic ambiguity of reference genomes and aligns with where ReSeT improves over existing selection methods. Availability and implementation: ReSeT is implemented in Python ([≥]3.10) and is freely available under the MIT license. The source code is available on GitHub at https://github.com/JaspervB-tud/ReSeT and ReSeT can also be installed directly from the Python Package Index (PyPI) via pip install reset-bio.

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24.
arXiv (quant-ph) 2026-06-12

Representation-Induced Symmetry Trapping in Adaptive Variational Quantum Simulations of Multi-Reference Topologies

作者:
Hermawan Kresno Dipojono↗

arXiv:2606.13387v1 Announce Type: new Abstract: Evaluating the trainability of adaptive quantum chemistry algorithms under multi-reference static correlation requires understanding how representation topologies intertwine with molecular geometry. We systematically expose a deep physical dependence on point-group symmetry by evaluating a spin-conserved SUSD operator pool across highly stretched configurations (2 x Re) of asymmetric LiH, symmetric BeH2, and asymmetric H2O. Under asymmetric distortions, the non-local mapping constraints of the Bravyi-Kitaev transformation create an optimization trapping effect–an encodement-locked manifestation of the broader barren plateau crisis. Crucially, by comparing these to the symmetrical stretching baseline of BeH2, we demonstrate that the preservation of point-group symmetry structurally protects the optimization landscape, proving that ansatz symmetry restrictions are necessary but insufficient without accounting for the underlying fermion-to-qubit representation. While current methods rely on numerical pruning to throttle pool sizes, our structural approach establishes that the mapping representation remains a critical factor in maintaining landscape trainability. Furthermore, exploiting structural overlap within our pool, we introduce a covariance-driven, adaptive shot-allocation filter. Diverging from static energy-variance minimization frameworks, our allocation engine operates as a dynamic runtime diagnostic tool. By continuously monitoring the gradient precision threshold epsilon, it aggressively prunes dead symmetry channels and triggers an automated circuit-termination sequence upon detecting representation-induced flat-lined states (dE/dtheta approx 0). This integration of algebraic measurement reuse with topology-aware statistical filtering provides a promising, resource-efficient strategy for executing deep variational algorithms on early fault-tolerant architectures.

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25.
arXiv (CS.CL) 2026-06-15

Achieving Precise Text-To-Cypher Via Grounded Knowledge Graph Data Generation

作者:
Francesco Cazzaro↗Jessica Lennon↗Ariadna Quattoni↗

Property Graphs are rapidly being adopted as database frameworks for representing heterogeneous data sources. To enable precise access to the information contained in them we need conversational interfaces based on Text-To-Cypher (Text2Cypher) parsers. This paper presents an automatic synthetic data generation method that can be leveraged to fine-tune small LLMs for this task. We conduct experiments on all the major Text-To-Cypher benchmarks, demonstrating that with our synthetic data generation approach we can significantly increase the performance of small LLMs, allowing them to compete with much larger proprietary models. This means that in settings in which models must be locally deployed we can ensure data-sovereignty without sacrificing accuracy and without costly annotation campaigns.

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