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01.
arXiv (math.PR) 2026-06-16

Testing for a Hidden Geometry in Random Graphs

arXiv:2606.16715v1 Announce Type: cross Abstract: We study the problem of detecting a faint geometric signal hidden in an otherwise random graph. Formally, we consider a hypothesis testing problem in which, under the null, the observed graph is an Erdős–Rényi random graph $\mathcal{G}(n,q)$, while under the alternative a random geometric graph $\mathcal{G}(k,q,d)$ is planted on $k\le n$ vertices. The planted subgraph is generated from independent random points on the unit sphere $\mathbb{S}^{d-1}$, with edges determined by latent geometric proximity and calibrated to have edge density $q$. Our goal is to characterize the statistical and computational limits of detecting this hidden geometry. We derive sharp information-theoretic lower bounds that identify regimes where detection is impossible and provide algorithms that achieve these limits whenever detection is feasible. We further investigate the computational complexity of the problem and determine when efficient polynomial-time tests exist. The model exhibits an easy–hard–impossible phase transition: some regimes allow efficient detection, others permit detection only with computationally intractable procedures, and still others render detection impossible even with unlimited computational power. As evidence for the computational barrier, we prove that all low-degree polynomial algorithms fail throughout the conjecturally hard regime, demonstrating a sharp gap between statistical and computational feasibility.

02.
arXiv (CS.CV) 2026-06-24

MM-TRELLIS: Point-Cloud Guided Multi-Modal 3D Vehicle Generation in Autonomous Driving

Recovering realistic 3D vehicle models from autonomous driving scenes is crucial for synthesizing training data and building simulation environment. However, most existing vehicle generation methods fail to fully exploit multimodal sensors i.e. multi-view images and LiDAR point clouds) and rely on neural rendering based reconstruction, leading to low-quality mesh. Recently, native 3D generative models have made significant progress, yet they are not built for arbitrary multi-view inputs and often struggle with in-the-wild driving images. In this work, we present MM-TRELLIS, a multi-modal version of TRELLIS for in-the-wild 3D vehicle generation that integrates LiDAR and image sensors from autonomous driving datasets into native 3D generative models. Specifically, multi-view images are cycled as conditioning inputs, while LiDAR point clouds provide test-time guidance to ensure geometric accuracy and cross-view consistency. During denoising, we first align the guidance point cloud with the model priors, then enforce consistency between the generated geometry and the guidance point cloud. Finally, we introduce a voxel filtering strategy based on the opacity of 3D Gaussian Splatting to suppress floaters and produce clean meshes. Comprehensive experiments on Waymo dataset demonstrate our method outperforms existing methods in high-fidelity 3D vehicle generation. Code is available at https://github.com/HongliXiao/MM-TRELLIS.

03.
arXiv (CS.AI) 2026-06-16

Integrating Multi-Label Classification and Generative AI for Scalable Analysis of User Feedback

arXiv:2601.23018v1 Announce Type: cross Abstract: In highly competitive software markets, user experience (UX) evaluation is crucial for ensuring software quality and fostering long-term product success. Such UX evaluations typically combine quantitative metrics from standardized questionnaires with qualitative feedback collected through open-ended questions. While open-ended feedback offers valuable insights for improvement and helps explain quantitative results, analyzing large volumes of user comments is challenging and time-consuming. In this paper, we present techniques developed during a long-term UX measurement project at a major software company to efficiently process and interpret extensive volumes of user comments. To provide a high-level overview of the collected comments, we employ a supervised machine learning approach that assigns meaningful, pre-defined topic labels to each comment. Additionally, we demonstrate how generative AI (GenAI) can be leveraged to create concise and informative summaries of user feedback, facilitating effective communication of findings to the organization and especially upper management. Finally, we investigate whether the sentiment expressed in user comments can serve as an indicator for overall product satisfaction. Our results show that sentiment analysis alone does not reliably reflect user satisfaction. Instead, product satisfaction needs to be assessed explicitly in surveys to measure the user's perception of the product.

04.
arXiv (math.PR) 2026-06-15

Longest weakly increasing subsequences of discrete random walks on the integers with heavy tailed distribution of increments

arXiv:2603.29047v2 Announce Type: replace-cross Abstract: We investigate the behavior of the length of the longest weakly increasing subsequences (weak LIS) of $n$-step random walks with nonzero integer increments $k = \pm 1, \pm 2, \dots$ given by a symmetric heavy tailed mass distribution proportional to $|k|^{-1-\alpha}$ for several values of the real parameter $\alpha > 0$ together with that of the simple random walk ($k=\pm 1$), to which the $n$-step heavy tailed walks reduce when $\alpha$ grows large enough that step jumps beyond $\pm 1$ become essentially absent on the scale of $n$. By means of exploratory fits, weighted nonlinear least squares, and nested-model comparisons, we found that the sample average length $\langle{L_{n}}\rangle$ scales like $\langle{L_{n}}\rangle \sim \sqrt{n}\log{n}$ when the distribution of increments has finite variance ($\alpha > 2$) and $\langle{L_{n}}\rangle \sim n^{\theta}$ with a varying exponent $\theta > 0.5$ when the variance is infinite ($\alpha \leq 2$). Distributional diagnostics indicate that the bulk of the $L_{n}$ distribution is very well-approximated by a lognormal model, though systematic deviations are observed in the tails. Our results corroborate and expand upon previous results for the LIS of other types of heavy-tailed random walks and raise a conjecture as to whether the distribution of $L_{n}$ is given, or can be effectively described, by a lognormal distribution.

05.
medRxiv (Medicine) 2026-06-24

Using outlier detection methods to incorporate highly heterogeneous infection rates into compartment models

Superspreading events (SSEs) produce extreme, rare bursts of disease transmission that standard compartment models, which assume population homogeneity, fail to capture. This inability to model heterogeneity in transmission rates can result in biased estimates of transmissivity. To address this limitation, we present a modular framework that treats SSEs as statistical outliers in case count time series and incorporates them into SIR-type models via pulse terms that transfer SSE cases directly from susceptible to infected compartments. This separation isolates anomalous SSE-driven transmission from background spread, which reduces bias when estimating mean transmission rates. We validate the approach on synthetic data generated by a stochastic model with embedded SSEs, demonstrating accurate recovery of the true non-SSE transmission parameter. We then apply the method to COVID-19 outbreaks in Hong Kong and the German district of Gutersloh, showing improved model fits and more robust estimates of background transmissivity both for a period with constant transmission and for a period with temporally structured NPI-driven heterogeneities. The framework's interchangeable outlier-detection, compartment, and SSE modules make it adaptable to diverse diseases and data contexts.

06.
medRxiv (Medicine) 2026-06-10

Frozen elephant trunk repair in heritable thoracic aortic disease: Impact of genetic aortopathy on long-term outcomes - A multicenter analysis

Aims This multicenter study aims to compare outcomes of total aortic arch replacement (TAR) using the frozen elephant trunk (FET) technique in patients with and without heritable thoracic aortic disease (HTAD) and to assess whether HTAD influences postprocedural adverse aortic events (AAEs). Methods From 06/2007 to 05/2024, aortic databases from 13 European centers were screened for HTAD patients undergoing TAR with FET. All consecutive dissection and aneurysm non-HTAD patients from the four core centers served as comparator. The primary outcome was AAE, a composite of diameter progression, distal stent graft induced new entry (dSINE), malperfusion, rupture and pseudoaneurysm at 5 years after FET implantation. Results Of 2739 FET patients, 196 (7.2%) were diagnosed with HTAD. The control group consisted of 867 non-HTAD FET patients. Marfan syndrome was the most common condition (72%), followed by Loeys-Dietz syndrome (11%), vascular Ehlers-Danlos syndrome (5.6%) and Turner syndrome (2.0%). Seventeen (8.8%) patients were diagnosed with ns-HTAD. At 5 years 46 (24%) AAEs occurred in the HTAD group, 169 (20%) in the non-HTAD group (p=0.2). Diameter progression was the most common event (10% vs. 12%; p=0.6), followed by dSINE (5.8% vs. 4.5%; p=0.5), malperfusion (4.2% vs. 3.3%; p=0.5), rupture (2.1% vs. 0.7%; p=0.09) and pseudoaneurysm (0.5% vs. 0.2%; p=0.5). Conclusions The FET technique appears safe and effective for acute and chronic aortic disease in HTAD patients, with outcomes comparable to non-HTAD cases and no increase in graft-related complications, challenging traditional concerns about stent graft use in genetically mediated aortic disease.

07.
arXiv (CS.LG) 2026-06-24

Model selection with proper scoring rules on data sets of time series

arXiv:2606.24715v1 Announce Type: cross Abstract: We consider the problem of model selection between probabilistic models on data sets of time series. Chosen a proper scoring rule, we denote by the term score the average value of the scoring rule on the test of an individual time series. For model selection, we need aggregating the values of the scores across multiple time series. Three summary statistics are commonly used for model selection: mean score, median score, and mean rank. Results in previous papers show that these statistics can yield conflicting decisions; we show how the conflicting conclusions are due to the skewness of the distribution of scores. We also show that as the test set of each time series of the data set increases, the different model selection criteria progressively converge to the same conclusion. However, for short tests sets, only the mean score identifies the true model as the best. We illustrate these phenomena with an analysis on intermittent time series, including the data set of the M5 competition, where we underline the importance of having a large test set. In such experiments, we further notice that model selection based on mean ranks remains unchanged using different scaling factors.

08.
arXiv (CS.AI) 2026-06-11

A New Perspective on Precision and Recall for Generative Models

arXiv:2511.02414v3 Announce Type: replace Abstract: With the recent success of generative models in image and text, the question of their evaluation has recently gained a lot of attention. While most methods from the state of the art rely on scalar metrics, the introduction of Precision and Recall (PR) for generative model has opened up a new avenue of research. The associated PR curve allows for a richer analysis, but their estimation poses several challenges. In this paper, we present a new framework for estimating entire PR curves based on a binary classification standpoint. We conduct a thorough statistical analysis of the proposed estimates. As a byproduct, we obtain a minimax upper bound on the PR estimation risk. We also show that our framework extends several landmark PR metrics of the literature which by design are restrained to the extreme values of the curve. Finally, we study the different behaviors of the curves obtained experimentally in various settings.

09.
medRxiv (Medicine) 2026-06-17

Proteomics Uncovers Cryptic JPH2 Loss in Paediatric Dilated Cardiomyopathy

Despite recent advances in next-generation sequencing, genetic diagnostic rates for dilated cardiomyopathy (DCM) remain low. Among paediatric DCM, causes are often heritable, with a greater frequency of de novo, recessive and syndromic causes of disease. Novel diagnostic methods are therefore required to solve monogenic cases. To assess the value of proteomics as a diagnostic tool for paediatric DCM, we obtained left ventricle myocardial samples from paediatric patients undergoing heart transplantation at the Royal Children's Hospital, Melbourne. We performed genome sequencing and proteomics and leveraged this multi-omics dataset to uncover the molecular cause of disease in a gene elusive proband. The proband carried a heterozygous JPH2 frameshift variant identified on clinical exome sequencing. However, proteomic analysis showed a pronounced downregulation of JPH2, suggestive of biallelic loss-of-function. Closer inspection of the genomic data revealed a large inversion (~8.34 Mb) with a breakpoint falling within intron 5 of JPH2 that displaces the 3'UTR from the coding transcript. The two variants were confirmed to be in trans using long read DNA sequencing, consistent with a diagnosis of JPH2 autosomal recessive DCM. Finally, we applied RNA sequencing with total RNA library preparation to show that transcripts containing a 3'UTR were reduced to ~10% relative to controls. As a proof-of-principle, we present the first reported use of proteomics from explanted cardiac tissue to provide a genetic diagnosis. Our methodology has broad relevance to patients with genetically unsolved Mendelian diseases, who might undergo organ transplantation as part of clinical management.

10.
arXiv (CS.CV) 2026-06-11

Weakly Supervised Segmentation as Semantic-Based Regularization

Weakly supervised semantic segmentation (WSSS) trains dense pixel-level segmentation models from partial or coarse annotations such as bounding boxes, scribbles, or image-level tags. While recent work leverages foundation models such as the Segment Anything Model (SAM) to generate pseudo-labels, these approaches typically depend on heuristic prompt choices and offer limited ways to incorporate prior knowledge or heterogeneous labels. We address this gap by taking a neurosymbolic perspective: integrating differentiable fuzzy logic with deep segmentation models. Weak annotations and domain-specific priors are unified as continuous logical constraints that fine-tune SAM under weak supervision. The refined foundation model then produces improved pseudo-labels, from which we train a second-stage prompt-free segmentation model. Experiments on Pascal VOC 2012 and the REFUGE2 optic disc/cup segmentation dataset show that our logic-guided fine-tuning yields higher-quality pseudo-labels, leading to state-of-the-art segmentation accuracy that often exceeds densely supervised baselines.

11.
arXiv (quant-ph) 2026-06-12

Squeezing Enhancement in Lossy Multi-Path Atom Interferometers

arXiv:2409.04091v3 Announce Type: replace Abstract: This paper explores the sensitivity gains afforded by spin-squeezed states in atom interferometry, in particular using Bragg diffraction. We introduce a generalised input-output formalism that accurately describes realistic, non-unitary interferometers, including losses due to velocity selectivity and scattering into undesired momentum states. This formalism is applied to evaluate the performance of one-axis twisted spin-squeezed states in improving phase sensitivity. Our results show that by carefully optimising the parameters of the Bragg beam splitters and controlling the degree of squeezing, it is possible to improve the sensitivity of the interferometer by several dB with respect to the standard quantum limit despite realistic levels of losses in light pulse operations. However, the analysis also highlights the challenges associated with achieving these improvements in practice, most notably the impact of finite temperature on the benefits of entanglement. The results suggest ways of optimising interferometric setups to exploit quantum entanglement under realistic conditions, thereby contributing to advances in precision metrology with atom interferometers.

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

Beyond the Unruh vacuum: multi-time correlations in black hole collapse and evaporation

arXiv:2606.13383v1 Announce Type: new Abstract: The black hole information paradox originates from the thermal character of Hawking radiation, which appears to erase information about the collapsing matter. However, thermality constrains only observables defined at a single time and leaves the structure of temporal quantum correlations largely unexplored. Here we show that multi-time quantum-field correlations provide a concrete mechanism for the survival of pre-collapse information in black hole evaporation. Using a two-dimensional model of gravitational collapse and evaporation, we demonstrate that late-time multi-time correlations are not fully reproduced by the Unruh vacuum. In particular, they contain a contribution that depends explicitly on parameters characterizing the pre-collapse state, despite the thermal character of the asymptotic radiation. Our results identify measurable multi-time correlations as carriers of information in Hawking radiation and suggest that formulations of the black hole information paradox based solely on single-time observables are incomplete.

13.
medRxiv (Medicine) 2026-06-22

Evidence-guided AI regularization for suicidal ideation prediction in pediatric bipolar disorder

Background: Suicide prediction models in psychiatry often rely on purely data-driven feature selection, which can produce unstable and clinically opaque predictor sets in modest-sized samples. We developed Evidence-Based AI LASSO (EBAL), an evidence-guided regularization framework that incorporates curated clinical evidence into feature-specific penalty factors for interpretable prediction. Methods: Baseline data from 136 youth with confirmed bipolar spectrum disorder in the Greater Houston Area Bipolar Registry were analyzed using 20 candidate clinical predictors. Forty higher-level evidence documents on suicidality and related predictor domains were curated through a structured evidence synthesis workflow and indexed as an auditable evidence corpus. An open-weight large language model assigned feature-specific penalty factors using a prespecified scoring rubric, and these penalties were used to fit a weighted LASSO model. EBAL was compared with a standard evidence-agnostic LASSO using nested leave-one-out cross-validation. Results: For suicidal ideation, EBAL achieved an AUROC of 0.768, balanced accuracy of 0.757, sensitivity of 0.758, and specificity of 0.757. The standard LASSO achieved an AUROC of 0.760 and balanced accuracy of 0.715. EBAL improved balanced accuracy (+0.042, p=0.010) and Matthews correlation coefficient (+0.079, p=0.010), while retaining fewer stable predictors than standard LASSO (11/20 vs 18/20). The strongest positive predictors were current depressed mood, duration of mood disorder illness, and comorbid generalized anxiety disorder. For suicidal behavior, both models performed near chance and retained all candidate predictors. Limitations: The study was cross-sectional, single-site, and modest in sample size, with no external validation cohort. Conclusions: EBAL produced a sparser and more clinically coherent model for suicidal ideation in pediatric bipolar disorder, but did not improve prediction of suicidal behavior. These findings support evidence-guided regularization as a transparent strategy for aligning psychiatric prediction models with prior clinical knowledge while preserving interpretability.

14.
arXiv (quant-ph) 2026-06-12

Quantum walk-based optimisation for capacitated vehicle routing with homogeneous and heterogeneous fleets

arXiv:2606.12856v1 Announce Type: new Abstract: The capacitated vehicle routing problem (CVRP) is an appealing candidate for quantum optimisation due to its combinatorial complexity and practical importance. However, the problem's constrained search space poses a challenge for such quantum algorithms. We introduce a quantum walk-based optimisation algorithm (QWOA) for the CVRP with homogeneous or heterogeneous vehicle fleets, addressing this challenge through a continuous-time quantum walk over a product space that coincides with combinatorial structures intrinsic to the CVRP solution space. Relative to the prior QWOA-based formulation, this approach reduces the per-layer gate complexity from $\mathcal{O}(n^{3}\log n)$ to $\mathcal{O}(n^{2}\log n)$ and supports a circuit parameterisation schedule generated by a fixed number of classical parameters. Exact state-vector simulation on instances with up to $n=8$ customers and $K=3$ vehicles demonstrates improved convergence to low-cost solutions using markedly fewer objective function evaluations, with the advantage broadening as problem size increases. These results identify structured product-space walks as a promising tool for optimisation over constrained combinatorial spaces.

15.
arXiv (CS.CL) 2026-06-24

A specialized reasoning large language model for accelerating rare disease diagnosis: a randomized AI physician assistance trial

Rare diseases affect millions of individuals worldwide, yet timely diagnosis remains a major public health challenge due to scarcity of specialized clinical expertise. While large language models (LLMs) show promise to support rare disease diagnosis, current models are constrained by insufficient clinical deployability, limited clinically grounded evidence, and scarcity of training data. Here we present RaDaR (Rare Disease navigatoR), an open-source, compact reasoning LLM (32B parameters) for rare disease diagnosis. RaDaR was trained with 49,170 publicly available free-text cases and 104,666 synthetic cases with reasoning-enhanced training. RaDaR showed the strongest performance among evaluated open-source models, including the 671B DeepSeek-R1, across public benchmarks and four external validation centers. In a retrospective cohort, RaDaR prioritized the final diagnosis before documented clinical suspicion in 61.06 percent of cases, corresponding to a potential lead time of 1.87 months and 50.18 percent of the within-center interval. In a randomized physician-assistance trial, RaDaR assistance improved physicians' rare-disease diagnostic accuracy by 21.44 percentage points compared with internet search alone. Synthetic-data ablations suggested that phenotype-anchored narratives provide useful training signal for long-tail rare diseases, with a monotonic scaling trend within the tested data range. Together, RaDaR and its development and validation framework provide a deployable rare-disease reasoning model and a reproducible development framework for diagnostic AI under data scarcity.

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

Coupled integrated photonic quantum memristors using a single photon source made of a colour center

arXiv:2602.14736v2 Announce Type: replace Abstract: Photonic quantum memristors provide a measurement-induced route to nonlinear and history-dependent quantum dynamics. Experimental demonstrations have so far focused on isolated devices or simple cascaded devices configurations. Here, we experimentally realize and characterize a network of two coupled photonic quantum memristors with crossed feedback, implemented on a silicon nitride photonic integrated circuit and fed by a room-temperature single-photon source based on a silicon-vacancy color center SiV$^-$ in a nanodiamond. Each memristor consists of an integrated Mach-Zehnder interferometer whose transfer function is adaptively updated by photon detection events on another memristor, thus generating novel non-Markovian input-output dynamics with an enhanced memristive behaviour compared to single devices. In particular, we report inter-memristor input-output hysteresis curves exhibiting larger form factors and displaying self-intersecting loops, respectively revealing marked bistability and self-intersecting hysteresis geometry. Furthermore, numerical simulations show how these features emerge from the interplay between memory depth and relative input phase, for both intra- and inter-memristor input-output relations. We experimentally test the performance of our system in the NARMA task. Our results establish coupled integrated photonic quantum memristors as scalable nonlinear building blocks and highlight their potential for implementing compact quantum neuromorphic and reservoir computing architectures.

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

On the Limits of Stretching Quantum Pseudorandomness

arXiv:2606.24736v1 Announce Type: new Abstract: Pseudorandom states, introduced by Ji, Liu, and Song (CRYPTO '18), are quantum analogues of classical pseudorandom generators. A fundamental property of classical pseudorandom generators is that their output can be stretched to arbitrary polynomial length. Whether an analogous stretching property holds for quantum pseudorandom states remains unclear. In this work, we prove the first black-box separation between single-copy secure pseudorandom states ($\mathsf{1PRS}$) with different output lengths. Specifically, we construct a quantum oracle relative to which $\mathsf{1PRS}$ with output length $m(n)=1.1n$ exist, but $\mathsf{1PRS}$ with output length $m(n)=\Omega(n^{2+\epsilon})$ do not, for any $\epsilon>0$. Our proof leverages the Common Haar Random State (CHRS) model introduced by Chen, Coladangelo, and Sattath (EUROCRYPT '25), and introduces a technique to bound the effective number of resource CHRS states utilized by any $\mathsf{1PRS}$ generator in this model.

18.
arXiv (quant-ph) 2026-06-12

Symmetry-Accelerated Classical Simulation of Clifford-Dominated Circuits

arXiv:2510.18977v2 Announce Type: replace Abstract: Classical simulation of quantum circuits plays a crucial role in validating quantum hardware and delineating the boundaries of quantum advantage. Among the most effective simulation techniques are those based on the stabilizer extent, which quantifies the overhead of representing non-Clifford operations as linear combinations of Clifford unitaries. However, finding optimal decompositions rapidly becomes intractable as it constitutes a superexponentially large optimization problem. In this work, we exploit symmetries in the computation of the stabilizer extent, proving that for real, diagonal, and real-diagonal unitaries, the optimization can be restricted to the corresponding subgroups of the Clifford group without loss of optimality. This ``strong symmetry reduction'' drastically reduces computational cost, enabling optimal decompositions of unitaries on up to seven qubits using a standard laptop – far beyond previous two-qubit limits. Additionally, we employ a ``weak symmetry reduction'' method that leverages additional invariances to shrink the search space further. Applying these results, we demonstrate exponential runtime improvements in classical simulations of quantum Fourier transform circuits and measurement-based quantum computations on the Union Jack lattice, as well as new insights into the nonstabilizer properties of multicontrolled phase gates and unitaries generating hypergraph states. Our findings establish symmetry exploitation as a powerful route to scale classical simulation techniques and deepen the resource-theoretic understanding of quantum advantage.

19.
medRxiv (Medicine) 2026-06-10

Prediction of immunotherapy response using live tumor fragments from routine clinical biopsies

Functional ex vivo assays using live tumor tissues have demonstrated strong predictive accuracy for response to immune checkpoint inhibitors (ICIs) but are not scalable, requiring manual processing of large resections collected at academic centers. Here, an ex vivo live tumor fragment (LTF) platform was developed using standard-of-care biopsies from 228 patients with suspected malignancy collected across prospective, multicenter observational trials and biobanks. Hierarchical clustering of ICI-mediated changes in cytokine production identified two groups: responders and nonresponders. A binary classifier (elive index) using 8 cytokines achieved an AUC of 0.99 for cluster prediction. elive index correctly predicted clinical benefit in 93% (26/28) of patients (P = 3.2x10-5) and accurately identified 83% (10/12) of objective responders. Critically, elive responders were identified among biomarker-negative patients, highlighting the platform as a scalable approach that complements existing companion diagnostics and expands the population of patients identified to benefit from ICI therapy.

20.
arXiv (CS.CL) 2026-06-12

MARD: Mirror-Augmented Reasoning Distillation for Mechanism-Level Drug-Drug Interaction Prediction

Mechanism-level drug-drug interaction (DDI) prediction requires identifying which enzyme or pharmacodynamic axis is implicated, in which direction, and with which evidence – not merely whether two drugs interact. We introduce a reproducible mechanism-level DDI labelling and evaluation protocol with a structured 7-family/147-subtype taxonomy, leakage-safe cold-split protocols, and auditable reasoning metrics for evaluating pharmacological prediction beyond flat interaction classification. We propose a pipeline that produces a 7B reasoning MARD (Mirror-Augmented Reasoning Distillation), combining three training innovations: a single-token KL divergence on direction tag that ties the model's prediction, per-loss PRM-weighted DPO with programmatic hard negatives, and a leakage-safe mechanism-aware retrieval channel. Process-reward step labels are automatically verifiable against DrugBank-structured fields, requiring no human or LLM judges. On the April-2026 DrugBank release, our MARD-7B is the only system in a 32-system comparison whose accuracy survives drug-pair novelty, beating the best baseline by +13.9 pp and GPT-4o by +6.7 pp at ~1% of frontier API cost. Further analysis reveals an anti-memorisation signature where accuracy improves on rarely seen drugs, suggesting that gain comes from structured pharmacological reasoning rather than drug-frequency memorisation. We release corpus, DDI-PRM, retrieval index, and training code.

21.
arXiv (quant-ph) 2026-06-19

Applications of quantum annealing to magnetic dipole hyperfine structure constants: First results beyond energies for atoms

arXiv:2606.20166v1 Announce Type: new Abstract: We report the first results of the magnetic dipole hyperfine structure (HFS) constants of neutral $\mathrm{Li}$, Li-like $\mathrm{Be}$, neutral $\mathrm{Na}$, and Na-like $\mathrm{Mg}$ using a modified version of the Quantum Annealer Eigensolver (QAE) algorithm on D-Wave's quantum hardware. The results are benchmarked against relativistic configuration interaction with multiconfiguration Dirac Hartree-Fock (MCDHF) calculations using the General-purpose Relativistic Atomic Structure Package (GRASP), and simulated annealing. In our modified QAE, a zooming-and-sigma-annealing approach with a floating-point encoding scheme is adopted to estimate the ground-state eigenvalue and eigenvector of the relativistic Dirac-Coulomb Hamiltonian matrices ($H_{\mathrm{DC}}$) constructed from 11 or fewer configuration state functions (CSFs). For calculations with extended correlation orbital sets, we applied a CSF truncation scheme, retaining only CSFs (up to 12) that make significant contributions to the ground-state wavefunction. Our modified QAE precision is kept limited to three decimal places (up to 10 qubits). Hardware demonstrations on the D-Wave quantum processing unit (QPU) yielded results that were completely consistent with GRASP (at the chosen precision) in determining the magnetic dipole HFS constants, with accuracy varying across systems and $H_{\mathrm{DC}}$ matrix dimensions.

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

Bayesian Optimization for Learning Nonlinear MPC in Autonomous Agent Navigation

arXiv:2606.14763v1 Announce Type: cross Abstract: Real-time autonomous navigation in dynamic, unknown environments remains a fundamental challenge for mobile robotics. We propose a map-free framework that tightly integrates reactive rolling-horizon planning with nonlinear Model Predictive Control (MPC). At each control cycle, a LiDAR-based Gaussian occupancy representation is constructed and used to generate collision-free trajectories via A* search, which are then tracked by a CasADi/IPOPT MPC formulation incorporating a smooth sigmoid obstacle barrier. To improve robustness to parameter sensitivity, we adopt an offline Bayesian optimization scheme based on Tree-structured Parzen Estimators (TPE), which identifies near-optimal controller parameters with respect to a composite navigation objective. In addition, a Gaussian Process surrogate is used to analyze parameter sensitivity and provide insight into the optimization landscape. The proposed framework is robot-agnostic and is evaluated on the Unitree Go2 quadruped in simulation using Gazebo, followed by deployment on the physical robot. Experimental results show that parameters tuned in simulation transfer effectively to hardware, maintaining comparable performance without additional tuning. The full system achieves up to a 90.0\% navigation success rate when deployed, along with a 38.9\% average improvement in the evaluation metrics across simulated environments.

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

AI-Driven Test Case Generation from Natural Language Requirements: A Survey of Techniques and Research Gaps

arXiv:2606.06563v2 Announce Type: replace-cross Abstract: Software testing is critical for verifying that systems meet specified requirements, yet remains among the most time-consuming and expensive activities in development. Requirements-based test generation allows test cases to be derived early from requirements artifacts, but generating them directly from natural language is challenging due to inherent ambiguity and imprecision. Recent advances in AI, natural language processing (NLP), and large language models (LLMs) have made automating this pipeline increasingly feasible, while introducing new risks including hallucination, reduced traceability, and inconsistent evaluation. This survey addresses four research questions: what AI and NLP techniques have been proposed for generating test cases from natural language requirements; what tools and frameworks support these approaches; how generated test cases are evaluated; and what research gaps remain. Following Kitchenham and Charters' systematic review guidelines, we searched major scholarly databases spanning 2000-2025 and, after applying strict inclusion criteria, identified 21 primary studies. The literature is organized into three evolutionary eras, revealing that no existing approach simultaneously satisfies six key quality dimensions: automation, ambiguity handling, domain applicability, traceability, evaluation thoroughness, and hallucination control. The survey makes three main contributions: a three-era evolutionary synthesis of AI-based test generation; a six-criteria gap analysis showing no current approach fully addresses all quality dimensions; and four actionable research guidelines targeting hallucination, traceability, complexity sensitivity, and compliance.

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

Lifecycle-Aware Dynamic Analysis for Secure ML Model Execution

arXiv:2606.19023v1 Announce Type: cross Abstract: The growing reliance on pre-trained Machine Learning (ML) models has introduced new attack surfaces. Recent vulnerabilities demonstrate that malicious behavior can be embedded within model artifacts, often bypassing existing defenses. Current model-scanning solutions primarily rely on static, format-specific rules or known attack signatures, which limit their ability to generalize across frameworks and to detect novel exploitation paths. In contrast, we propose a solution that focuses on the effects an attack has on the host system executing the model and builds on foundational intuitions about ML model execution. In particular, we observe that ML models operate within well-defined lifecycle phases and that, within each phase, interactions with the host system are highly structured and predictable. We translate these intuitions into Moat, a dynamic lifecycle-aware approach for securing ML model execution, and instantiate this design in Re-Moat, our reference implementation. We evaluate Re-Moat across multiple ML frameworks using 77,974 real-world model artifacts from the Hugging Face Hub, 31 Proofs-of-Concept (PoCs) from CVEs, and 334 models from a state-of-the-art dataset, and compare it against state-of-the-art model-scanning solutions. Our results show that our approach detects all evaluated attack classes while maintaining a close-to-zero false-positive rate, validating our intuitions and motivating dynamic analysis for securing ML model execution.

25.
arXiv (CS.CL) 2026-06-19

Pitch Spelling Jazz Lead Sheets, Solo Transcriptions, Classical Piano and Monophonic Scores

We present an algorithm for pitch spelling and key estimation. Given an input in MIDI-like format, containing information on note pitches (expressed in semitones relative to the lowest reference note) and bar boundaries, it estimates the appropriate note names, a global Key Signature, and a local scale for each bar. This related information elements are evaluated jointly during two stages of optimisation. During an initial 'modal' stage, a probable scale is proposed for each bar, minimising the number of accidentals to be printed in the printed score with a shortest-path search. Then, during a second stage called 'tonal', these local scales are used to estimate the Key Signature and note names that would result in the best musical notation for the entire piece. We present evaluations conducted on datasets comprising a variety of digital musical scores: jazz lead sheets taken from the Real Book, transcriptions of recordings of jazz soli and bass lines, traditional tunes, as well as classical scores for piano and monophonic instruments. Our procedure was originally designed for use in music transcription, specifically for building digital collections of jazz solos transcribed from audio recordings, for the purposes of music analysis, teaching and the preservation of cultural heritage. This method should also prove useful for other tasks related to the processing of musical notation. Furthermore, to this end, we have defined new distances between various common jazz scales, which may be of some interest to musicological studies.