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01.
arXiv (quant-ph) 2026-06-16

Quantum Fisher Information and the Speed of Entanglement

arXiv:2606.15484v1 Announce Type: new Abstract: We investigate the speed at which entanglement can be generated by an interaction parameter encoded in a two-qubit Hamiltonian, quantified by the derivative of concurrence with respect to the coupling parameter. For arbitrary pure two-qubit states evolving under a general nonlocal interaction, we derive a bound relating this entanglement speed to the quantum Fisher information (QFI). Specifically, we show that $|\partial_g C| \le \sqrt{F_Q^{(g)}}$, where $F_Q^{(g)}$ is the QFI associated with estimation of the parameter. This establishes $\sqrt{F_Q}$ as a an upper bound on the speed of entanglement generation in parameter space. We further derive the saturation conditions and identify the states and dynamical regimes for which equality is attained. At saturation, concurrence evolves at the maximum rate permitted by the distinguishability of the underlying quantum state. These results reveal a direct connection between quantum metrology and entanglement generation, showing that the same information-theoretic quantity that governs parameter-estimation precision also limits the speed at which entanglement resources can be created.

02.
arXiv (quant-ph) 2026-06-19

Phase locking nuclear spins in silicon with spin-orbit coupling

arXiv:2606.20340v1 Announce Type: new Abstract: Because they have such long coherence times, nuclear spins have extraordinary potential for use in quantum information processing devices. However, coherent nuclear spin control generally requires external phase references, such as microwave control fields. Here, we phase-lock a $^{29}$Si nuclear spin ensemble in a silicon quantum dot using only the internal electronic spin-orbit coupling as a phase reference. When driven with the quantum-dot electrons, the nuclear spins align themselves to a phase determined by the electronic spin-orbit coupling and the timing of the drive protocol. This enables us to measure the coherent precession and inhomogeneous dephasing of the nuclear spins. We corroborate our results with detailed numerical simulations of the many-body electron nuclear system. Our work opens new routes for coherently controlling solid-state nuclear spin ensembles.

03.
arXiv (CS.LG) 2026-06-18

Complementary Attention Head Pruning for Efficient Transformers

arXiv:2606.19150v1 Announce Type: new Abstract: The remarkable success of Transformer-based models in natural language processing stems from architectural scaling, which leads to a large number of parameters and hinders deployment in resource-constrained environments. While structured pruning offers a pathway to compression, existing state-of-the-art methods often rely on gradient-based importance ranking or stochastic gating, which suffer from instability, structural degeneration, and the need for extensive manual hyperparameter tuning. In this paper, we introduce CAHP (Complementary Attention Head Pruning), a novel post-hoc framework that redefines head selection as a global graph-theoretical problem. Rather than evaluating heads in isolation, CAHP utilizes graph-based clustering combined with information-theoretic distance measures to identify and preserve a topologically diverse subset of complementary attention heads. Without requiring a predefined sparsity level or pruning ratio, the framework automatically determines the number of selected attention heads across layers by identifying a diminishing marginal performance curve, where pruning additional heads leads to a sharp degradation in performance, as determined by the chosen polynomial degree. Extensive evaluations on the SST-5 and MNLI benchmarks, across different Transformer model scales, demonstrate that CAHP consistently outperforms competitive baselines, particularly in high-compression regimes. Furthermore, our structural analysis shows that CAHP avoids the "proximity bias" of gradient-based pruning methods, which tend to preserve heads mainly in layers close to the output, and instead retains a functionally critical set of attention heads in the model's intermediate layers.

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

How Fine-Grained Should a RAG Benchmark Be? A Hierarchical Framework for Synthetic Question Generation

Evaluating retrieval-augmented generation (RAG) systems requires benchmarks that capture diverse question characteristics, yet practitioners lack empirical guidance on which dimensions to vary and at what granularity. We present HieraRAG, a hierarchical framework for studying granularity in RAG benchmark construction, defining optimal granularity as the level that maximizes discriminative power (the standard deviation of generation quality across categories) within a given RAG configuration. As a case study, we generate 5,872 synthetic question-answer (QA) pairs from FineWeb-10BT across 3 dimensions (Question Complexity, Answer Type, Linguistic Variation) at 3 granularity levels (2, 4, and 8 categories). With a BM25+Falcon-3-10B pipeline, optimal granularity varies by dimension: complexity benefits from fine-grained distinctions (discriminative power: 0.053) while answer type and linguistic variation peak at medium granularity. We introduce a Coherence Ratio metric to quantify whether fine-grained splits cleanly subdivide parent categories, revealing structural differences across dimensions (Question Complexity: 0.40 vs. Answer Type: 1.44). Human evaluation of 110 stratified QA pairs confirms synthetic quality. While these specific findings reflect a single configuration, HieraRAG provides a portable procedure and validation metric for practitioners to determine evaluation granularity within their own RAG settings.

05.
arXiv (CS.CV) 2026-06-18

Intrinsic 4D Gaussian Segmentation from Scene Cues

Dynamic 4D Gaussian Splatting reconstructs deforming scenes with high fidelity and is increasingly adopted as a representation for dynamic 3D scenes. Putting such a scene to use, for editing, manipulation or motion analysis, first requires segmenting it: grouping the Gaussian primitives into coherent objects. Current pipelines obtain this grouping by importing 2D masks from foundation models such as SAM and lifting or distilling them into the Gaussian representation. In dynamic scenes these masks must be generated across many frames and views, which is costly, and the resulting segmentation can depend strongly on the quality and consistency of those external masks. We ask how much object-level structure can instead be recovered from the Gaussians themselves, and propose Intrinsic-GS, a training-free, mask-free method that builds a sparse affinity graph over Gaussian primitives from appearance, orientation, scale, deformation-trajectory and non-learned rendered-boundary cues. The graph is partitioned with Leiden community detection, requiring no foundation model and no learned feature field. On the standard 4D Gaussian segmentation benchmarks, Neu3D and HyperNeRF, Intrinsic-GS recovers substantial object structure without mask supervision, reaching 0.746 mIoU on Neu3D and 0.575 on HyperNeRF; on Neu3D, a geometry-only variant reaches 0.902 mIoU, matching SAM-supervised TRASE. On HyperNeRF, Intrinsic-GS runs 12.5x faster than the mask-generation and feature-rendering stages used by mask-supervised pipelines. These results suggest that much of the segmentation signal is already encoded in the Gaussians themselves, offering a fast, mask-free direction for 3D and 4D Gaussian segmentation that may also point toward more generalizable, robust segmentation in settings where external masks are unreliable or expensive.

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

iTryOn: Mastering Interactive Video Virtual Try-On with Spatial-Semantic Guidance

Video Virtual Try-On (VVT) aims to seamlessly replace a garment on a person in a video with a new one. While existing methods have made significant strides in maintaining temporal consistency, they are predominantly confined to non-interactive scenarios where models merely showcase garments. This limitation overlooks a crucial aspect of real-world apparel presentation: active human-garment interaction. To bridge this gap, we introduce and formalize a new challenging task: Interactive Video Virtual Try-On (Interactive VVT), where subjects in the video actively engage with their clothing. This task introduces unique challenges beyond simple texture preservation, including: (1) resolving the semantic ambiguity of interactions from standard pose information, and (2) learning complex garment deformations from video where interactive moments are sparse and brief. To address these challenges, we propose iTryOn, a novel framework built upon a large-scale video diffusion Transformer. iTryOn pioneers a multi-level interaction injection mechanism to guide the generation of complex dynamics. At the spatial level, we introduce a garment-agnostic 3D hand prior to provide fine-grained guidance for precise hand-garment contact, effectively resolving spatial ambiguity. At the semantic level, iTryOn leverages global captions for overall context and time-stamped action captions for localized interactions, synchronized via our novel Action-aware Rotational Position Embedding (A-RoPE). Extensive experiments demonstrate that iTryOn not only achieves state-of-the-art performance on traditional VVT benchmarks but also establishes a commanding lead in the new interactive setting, marking a significant step towards more dynamic and controllable virtual try-on experiences.

07.
arXiv (CS.LG) 2026-06-15

Zero-shot generalization of transformer neural operators to larger domains

arXiv:2606.14597v1 Announce Type: new Abstract: Transformer-based neural operators have shown remarkable performance for approximating solution operators of partial differential equations on complex geometries. However, existing approaches implicitly assume a fixed domain size, which limits their ability to generalize at inference. In this work, we investigate domain extension, namely zero-shot inference on spatial domains that are significantly larger than those encountered during training. We argue that this setting fundamentally requires spatial locality and translation equivariance. We propose to implement this locality via a decomposable bias in the attention logits computation, enabling finely controllable locality while remaining fully decomposable into query-key inner products and directly compatible with optimized attention kernels. Combined with rotary positional embeddings, it enables expressive embeddings with controllable spatial support without altering the transformer architecture. We empirically show that our approach substantially improves zero-shot generalization to larger domains across two PDE benchmarks and a 3D industrial atmospheric flow application. Our code and datasets are available at https://github.com/cerea-daml/domain-extension.

08.
arXiv (CS.AI) 2026-06-18

CAPRA: Scaling Feedback on Software Architecture Deliverables with a Multi-Agent LLM System

arXiv:2606.18976v1 Announce Type: cross Abstract: Automated assessment in software engineering education has advanced significantly for code grading and essay scoring. However, reviewing software architecture deliverables, which requires analyzing structural completeness and requirements traceability, has not yet been fully automated. Applying Large Language Models (LLMs) to this task requires robust architectures to ensure technical feedback is accurate and reliable for students. This paper presents CAPRA (Configurable Architecture Proficiency Report Assessment), a multi-agent LLM system that analyzes software architecture deliverables to generate personalized, template-compliant LaTeX feedback. As a core design choice, CAPRA coordinates multiple specialized agents and employs a Python-based microservice for multi-modal document extraction, utilizing PyMuPDF and vision-enabled LLMs (specifically gpt-4o) to parse text and UML diagrams. To ensure educational reliability and mitigate hallucinations, CAPRA introduces a deterministic Evidence Anchoring step using fuzzy matching via normalized Levenshtein distance, along with a ConsistencyManager agent that cross-verifies, deduplicates, and merges findings. System performance is assessed using a structured eight-criterion binary evaluation taxonomy covering: (i) extraction completeness, (ii) feature validation, (iii) issue grounding and severity detection, (iv) recommendation specificity and traceability, and (v) template and tone compliance. A preliminary empirical evaluation on 10 student reports shows that CAPRA satisfied 88.8% of the evaluated criteria under a strict two-rater aggregation rule, achieved moderate inter-rater agreement with human evaluators (kappa = 0.582), and processed each report in slightly over 4 minutes. While these results support the viability of LLM-supported architectural feedback, human oversight remains essential for subjective assessment dimensions.

09.
arXiv (CS.CL) 2026-06-19

StylisticBias: A Few Human Visual Cues Drive Most Social Biases in MLLMs

Multimodal large language models (MLLMs) are increasingly deployed in personally and societally consequential settings, yet the visual cues that shape how these models judge people remain poorly understood. Prior work often compares different (groups of) individuals, making it difficult to separate appearance effects from identity differences. We introduce StylisticBias, a controlled benchmark for evaluating attribute-level social bias in MLLMs. We generate 500 photorealistic base faces and create about 50 single-attribute variations per face, producing about 25K images. This design keeps identity fixed and changes one visual attribute at a time. It lets us measure how specific cues shift model judgments. We evaluate six MLLMs across 25 binary social judgment scenarios. We find that age and body type dominate identity-level effects, while fashion style and other visual cues drive the largest attribute-level shifts. We further find that about 15 attributes account for nearly 80\% of the total variation, showing that bias is concentrated in a small set of visual cues. Sensitivity is strongest in judgments that are semantically aligned with appearance, especially socioeconomic and style-related judgments. We release StylisticBias as a benchmark for fine-grained bias evaluation in multimodal models. Code and dataset: https://github.com/timo-cavelius/StylisticBias and https://hf.co/datasets/shaghayegh/stylistic-bias-dataset.

10.
arXiv (CS.AI) 2026-06-16

Safe Exploration via Policy Priors

arXiv:2601.19612v3 Announce Type: replace-cross Abstract: Safe exploration is a key requirement for reinforcement learning (RL) agents to learn and adapt online, beyond controlled (e.g. simulated) environments. In this work, we tackle this challenge by utilizing suboptimal yet conservative policies (e.g., obtained from offline data or simulators) as priors. Our approach, SOOPER, uses probabilistic dynamics models to optimistically explore, yet pessimistically fall back to the conservative policy prior if needed. We prove that SOOPER guarantees safety throughout learning, and establish convergence to an optimal policy by bounding its cumulative regret. Extensive experiments on key safe RL benchmarks and real-world hardware demonstrate that SOOPER is scalable, outperforms the state-of-the-art and validate our theoretical guarantees in practice.

11.
arXiv (CS.CL) 2026-06-15

Graph-based Target Back-Propagation for Context Adaptation in Multi-LLM Agentic Systems

Context adaptation automates prompt engineering in LLM-based systems by iteratively revising tunable prompts from task feedback, without modifying model weights. Extending this paradigm to multi-LLM agentic systems is crucial: existing methods suffer from inaccurate credit assignment and lack convergence guarantees. We propose Graph-based Target Back-Propagation (GTBP), a context adaptation framework for agentic workflows modeled as directed acyclic graphs. GTBP propagates local target outputs backward through the workflow graph and uses target–output discrepancies to guide a stage-wise prompt update mechanism. Theoretically, we show that GTBP's stage-wise prompt updates become stable over iterations, and that a sufficiently capable LLM optimizer can decrease the overall objective. Empirically, GTBP consistently outperforms strong baselines across three benchmarks while maintaining comparable computational cost.

12.
arXiv (quant-ph) 2026-06-16

Inverted Dirac oscillator

arXiv:2606.15303v1 Announce Type: new Abstract: The Dirac oscillator is obtained from the Dirac Hamiltonian $H^{\mathrm{D}} = \left( c\vec{\alpha}\cdot \vec{p} + mc^{2}\beta \right)$ by modifying the momentum through a non-Hermitian substitution $\overrightarrow{p} \rightarrow \overrightarrow{p} \pm i\omega \beta \overrightarrow{q}$. Despite the non-Hermitian nature of this momentum operator, the full Hamiltonian remains Hermitian due to the presence of the Dirac matrix $\vec{\alpha}$. However, if one instead introduces a Hermitian modification of the form $\vec{p} \rightarrow \vec{p} \pm \omega \beta \overrightarrow{q}$, the resulting Hamiltonian is no longer Hermitian. In this case, the system corresponds to an inverted Dirac oscillator $H^{\mathrm{r}}$, where the potential becomes unbounded from below, the energy spectrum becomes continuous, and the eigenfunctions fail to be square-integrable, leading to normalization difficulties. We show that the Hamiltonian $H^{\mathrm{r}}$ is a pseudo-$\mathcal{PT}$-symmetric operator, and we introduce an unbounded, non-unitary transformation that establishes a connection between $H^{\mathrm{r}}$ and $H^{\mathrm{D}}$. The purpose of this work is to analyze this relativistic quantum system – known as the Dirac inverted oscillator – which, despite its various applications, admits an exact analytical solution

13.
arXiv (CS.CV) 2026-06-17

FUSER: Feed-Forward MUltiview 3D Registration Transformer and SE(3)$^N$ Diffusion Refinement

Registration of multiview point clouds conventionally relies on extensive pairwise matching to build a pose graph for global synchronization, which is computationally expensive and inherently ill-posed without holistic geometric constraints. This paper proposes FUSER, the first feed-forward multiview registration transformer that jointly processes all scans in a unified, compact latent space to directly predict global poses without any pairwise estimation. To maintain tractability, FUSER encodes each scan into low-resolution superpoint features via a sparse 3D CNN that preserves absolute translation cues, and performs efficient intra- and inter-scan reasoning through a Geometric Alternating Attention module. Particularly, we transfer 2D attention priors from off-the-shelf foundation models to enhance 3D feature interaction and geometric consistency. Building upon FUSER, we further introduce FUSER-DF, an SE(3)$^N$ diffusion refinement framework to correct FUSER's estimates via denoising in the joint SE(3)$^N$ space. FUSER acts as a surrogate multiview registration model to construct the denoiser, and a prior-conditioned SE(3)$^N$ variational lower bound is derived for denoising supervision. Extensive experiments on 3DMatch, ScanNet and ArkitScenes demonstrate that our approach achieves the superior registration accuracy and outstanding computational efficiency.

14.
medRxiv (Medicine) 2026-06-17

Postoperative Cognitive Decline in Older Patients with Cardiovascular Disease and Preoperative Mild Cognitive Impairment

Objective. Older adults undergoing cardiac surgery may be vulnerable to postoperative cognitive decline. However, no studies have examined postoperative cognitive outcomes in older patients with cardiovascular disease (CVD) according to preoperative mild cognitive impairment (MCI). This study examined 12-month postoperative cognitive outcomes in older CVD patients according to preoperative MCI diagnosis and explored predictors of postoperative cognitive decline. Method. Twenty-two older CVD patients ([≥]65 years) and twenty-five controls were included. Neuropsychological assessment was conducted at baseline in both groups and repeated 12 months after surgery in the CVD group. MCI was diagnosed using current clinical criteria. Postoperative cognitive change was examined across preoperative MCI groups. Results. Fifty percent of patients met criteria for postoperative MCI, showing high diagnostic stability relative to preoperative frequency (45.5%). The preoperative CVD-MCI group showed a decline in working memory, executive functions, visual memory, and naming, whereas CVD-nMCI group declined only in verbal memory. Furthermore, CVD-MCI showed more heterogeneous postoperative cognitive trajectories of change than CVD-nMCI, who showed stability. Estimated IQ, APACHE-II score, and postoperative frailty were important variables in predicting the postoperative pattern. Conclusions. MCI frequency remained high and stable in older CVD patients across the preoperative and one-year postoperative period. However, this apparent diagnostic stability masks subclinical cognitive decline, particularly among patients with preoperative MCI, who showed greater susceptibility to further impairment. Estimated IQ, APACHE-II score, and postoperative frailty may be considered relevant predictors of outcome. These results highlight the value of preoperative neuropsychological assessment for characterizing postoperative cognitive risk in older CVD patients.

15.
arXiv (CS.AI) 2026-06-19

Human-AI Agent Interaction in a Business Context

arXiv:2606.18716v1 Announce Type: cross Abstract: As AI agents are increasingly integrated into core business processes, understanding and designing effective interaction patterns between humans and AI agents becomes crucial for value creation. This study identifies and evaluates principles and criteria for a positive User Experience (UX) with AI agents, along with methods for its measurement. We identify user expectations and needs to facilitate adoption, build trust, and support user-centered decision-making by development teams. Using a mixed-methods approach that combines qualitative and quantitative techniques, we explore interaction patterns between humans and AI agents. The findings from this exploratory research serve as the basis to develop a survey experiment which evaluates the effectiveness of specific design elements on a larger scale. This foundational research contributes to the development of more intuitive and effective human-AI agent interactions in business settings.

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

Top-Theta Attention: Sparsifying Transformers by Compensated Thresholding

We present Top-Theta (Top-$\theta$) Attention, a training-free method for sparsifying transformer attention during inference. Our key insight is that static, per-head thresholds can be calibrated to retain the desired constant number of significant elements per attention row. This approach enables content-based sparsity without retraining, and it remains robust across data domains. We further introduce compensation techniques to preserve accuracy under aggressive sparsification, establishing attention thresholding as a practical and principled alternative to top-k attention. We provide extensive evaluation on natural language processing tasks, showing that Top-$\theta$ achieves 3-10x reduction in V-cache usage and up to 10x fewer attention elements during inference while degrading no more than 1% in accuracy.

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

SPI: Query-Depth-Adaptive Indexing for Streaming RAG in Vector Databases

Vector databases (VecDBs) are increasingly deployed in retrieval-augmented generation (RAG) pipelines where query processing and document ingestion occur concurrently. The index layer needs to provide low-latency search while incorporating new vectors without frequent global rebuilding. Existing VecDB pipelines typically operate within a uniform representation regime, despite substantial variation in the semantic granularity required across queries. This motivates an index design that supports incremental updates while adapting retrieval depth to query distribution and complexity. We propose Semantic Pyramid Indexing (SPI), a VecDB-layer indexing framework that organizes embeddings into $L$ semantically aligned resolution levels and selects retrieval depth per query via a lightweight uncertainty-aware controller. SPI supports progressive coarse-to-fine ANN search, level-wise streaming insertion without global rebuilds, and distributed execution through LSH partitioning with asynchronous gRPC coordination. Unlike hierarchical ANN structures with fixed traversal rules (e.g., SPANN), SPI adapts resolution at query time while remaining compatible with FAISS and Qdrant backends. On MS MARCO and Natural Questions, SPI achieves competitive Recall@10 with lower latency under the same dense encoder family, yielding a 1.4–2.3$\times$ average retrieval latency reduction under fixed Recall@10 targets relative to comparable approximate-ANN baselines. A prototype scaling study up to 8 nodes shows $6.2\times$ throughput scaling (${\approx}73\%$ efficiency); the 16-node configuration is included for completeness but shows diminishing efficiency. We provide a top-$K$ stability guarantee: queries with sufficient retrieval margin return an identical top-$K$ set at a shallower level. Code and configurations are available at https://github.com/FastLM/SPI_VecDB.

18.
arXiv (CS.LG) 2026-06-15

A Statistical and Machine Learning Framework for Operational Threshold Detection and Deployable Dispatch Controller Development in Hydrogen Multi-Energy Systems

arXiv:2606.14601v1 Announce Type: new Abstract: This study presents a statistical and machine learning framework for characterizing a hydrogen-based multi-energy system (H-MES) using one year of high-resolution operational data. Statistical analysis revealed a binary operation driven by renewable surplus, with solar irradiance explaining 45.7% of rank-based variance in hydrogen production, a large effect by conventional standards. Only high-irradiance periods triggered meaningful electrolyzer engagement, while electricity demand exerted a weaker inverse suppression effect ($\epsilon^2 = 0.126$). Multiple regression confirmed electrolyzer power as the dominant linear predictor, with a synergistic solar-wind interaction. Notably, Random Forest analysis ranked wind output first in predictive importance despite its weak bivariate correlation (r = 0.167), revealing non-linear dynamics invisible to parametric methods. A sequence model exploited strong 24-hour autocorrelation (r = 0.845) for operational forecasting, while a reinforcement learning agent optimized hydrogen revenue dispatch. The core contribution is demonstrating that statistical and machine learning approaches are complementary for H-MES modeling and control.

19.
arXiv (CS.CL) 2026-06-18

TurnGuide: Enhancing Meaningful Full Duplex Spoken Interactions via Dynamic Turn-Level Text-Speech Interleaving

Full-Duplex Speech Language Models (FD-SLMs) are specialized foundation models designed to enable natural, real-time spoken interactions by modeling complex conversational turn-taking such as interruptions, backchannels, and overlapping speech. End-to-end (e2e) FD-SLMs leverage real-world double-channel conversational data to capture nuanced two-speaker dialogue patterns for human-like interactions, but their conversational abilities often degrade compared to pure-text conversation due to prolonged speech sequences and limited high-quality spoken dialogue data. Although interleaved text-speech generation could mitigate this degradation, integrating discrete text tokens into continuous double-channel audio streams could disrupt the precise time alignment required for fluid interaction. To address this, we propose TurnGuide, a novel text-speech interleaved generation approach for e2e FD-SLMs that dynamically segments assistant speech into dialogue turns and interleaves turn-level text and speech generation. This approach allows FD-SLMs to integrate the semantic intelligence of LLMs without compromising the natural acoustic flow. Extensive experiments show that TurnGuide not only significantly improves e2e FD-SLMs to produce semantically meaningful, coherent speech but also achieves state-of-the-art performance on various turn-taking events. Demos are available at https://dreamtheater123.github.io/TurnGuide-Demo/. Code is available at https://github.com/dreamtheater123/TurnGuide.

20.
arXiv (quant-ph) 2026-06-16

Interaction-enabled topological pumping of Rydberg electrons

arXiv:2606.15126v1 Announce Type: cross Abstract: Topological pumping is a paradigmatic realization of quantized transport in band systems, yet its fate in strongly correlated regimes, especially with long-range interactions, remains largely unexplored. Here we report the experimental observation of interaction-enabled topological pumping of correlated Rydberg electrons in a synthetic lattice. We show that dipolar exchange interactions induce a controllable shift of the underlying topological singularity in parameter space, such that a fixed pumping trajectory can be driven through successive topological transitions by tuning the interaction strength alone. This leads to the emergence and breakdown of quantized transport. The observations are consistent with an effective Rice-Mele description with interaction-renormalized onsite potentials and are supported by characterizing the adiabaticity and robustness to control trajectory imperfections. Our results establish a platform for exploring interaction-controlled topological transport beyond perturbative regimes and open a route toward engineering correlated topological matter in synthetic quantum systems.

21.
arXiv (CS.CL) 2026-06-12

MDForge: Agentic Molecular Dynamics Pipeline Design under Sparse Simulator Feedback

Molecular dynamics (MD) is the canonical in-silico method for atomistic molecular science, simulating molecular behavior from first-principle physics. Designing an MD pipeline for a new system requires substantial expert knowledge: running it on even one molecule is expensive, ruling out trial-and-error. We automate this expert pipeline-design process with an LLM agent. Unlike existing MD agents that orchestrate a predefined tool set, we treat pipeline design as open-ended code generation in which the agent's behavior is reshaped online by verbal reward. Specifically, we build MDForge, an LLM agent whose in-context update rule densifies the sparse reward via a multi-agent debate among physics experts. On three SAMPL host-guest binding free-energy benchmarks, MDForge automatically designs MD pipelines competitive with human experts. Deployed on a library of unseen candidate guests, its CB[7] pipeline discovers a novel binder that wet-lab competition NMR confirms is a high-affinity, picomolar CB[7] binder. Our data and code are available at https://github.com/Zehong-Wang/MDForge.

22.
PLOS Medicine 2026-05-06

Pathways of emergency care for severely ill children in Nigerian and Ugandan hospitals: A process mapping study

作者:

by Rami Subhi, Abiodun Sogbesan, Dan Muramuzi, Mikael Burhin, Ayobami A. Bakare, Adegoke G. Falade, Freddy E. Kitutu, Freddie Ssengooba, Carina King, Sumit Kane, Belinda Dawson-McClaren, Hamish R. Graham, the MOXY-Implementation Research Collaboration Background Child mortality remains high in countries with weak emergency care systems. Facility organisation for paediatric emergency care is heterogeneous and under-described. We examined how hospitals in Uganda and Nigeria are organised to deliver emergency care for neonates and children. Methods and findings We conducted a qualitative, multi-method study in 26 purposively selected secondary and tertiary facilities in Uganda and Nigeria from October 2023 to December 2024. Embedded researchers documented patient pathways, resources for care, and care processes for severely ill children (

23.
bioRxiv (Bioinfo) 2026-06-11

Calibrated Uncertainty Quantification for Patient-Level AML Drug Sensitivity Prediction Using Split Conformal Prediction

Accurate prediction of ex vivo drug sensitivity in acute myeloid leukemia (AML) patients from transcriptomic data is a critical challenge for precision oncology. Existing computational approaches have explored uncertainty quantification in cancer drug response prediction primarily using cell line data, while patient-level AML models typically rely on heuristic confidence measures rather than statistically calibrated uncertainty estimates. Here, we present a framework applying split conformal prediction to patient-level AML drug response modeling using the BeatAML 2.0 cohort. We trained Elastic Net and XGBoost regressors on bulk RNA-seq gene expression profiles from 318 AML patients, analyzing 34,764 patient-drug observations across 122 compounds. Baseline models achieved median Pearson R values of 0.291 (Elastic Net) and 0.281 (XGBoost) across 122 drugs. Wrapping these models with split conformal prediction yielded well-calibrated prediction intervals across three confidence levels: empirical coverages of 81.4%, 90.7%, and 95.5% against nominal targets of 80%, 90%, and 95%, respectively. Analysis of prediction interval widths revealed substantial drug-class-specific uncertainty patterns, with HDAC and BCL-2 inhibitors exhibiting markedly higher uncertainty than MDM2 inhibitors, suggesting a potential association between transcriptomic predictability and drug mechanism of action, although several drug classes were represented by only a small number of compounds. Predictive uncertainty was not significantly associated with ELN2017 molecular risk classification (Kruskal-Wallis p=0.395) or NPM1 mutation status (p=0.788). These results demonstrate that statistically valid uncertainty quantification can be achieved for patient-level AML drug response prediction despite substantial biological heterogeneity. to the best of our knowledge, no published study has applied split conformal prediction to patient-level ex vivo drug sensitivity prediction in the BeatAML cohort, providing a principled alternative to heuristic confidence scoring approaches. Keywords: Acute myeloid leukemia (AML); Ex vivo drug sensitivity; Conformal prediction; Uncertainty quantification; Precision oncology; BeatAML; Transcriptomic biomarkers; Machine learning.

24.
arXiv (math.PR) 2026-06-16

Exact Label Recovery in Euclidean Random Graphs

arXiv:2407.11163v3 Announce Type: replace-cross Abstract: In this paper, we propose a family of label recovery problems on weighted Euclidean random graphs. The vertices of a graph are embedded in $\mathbb{R}^d$ according to a Poisson point process, and are assigned to a discrete community label. Our goal is to infer the vertex labels, given edge weights whose distributions depend on the vertex labels as well as their geometric positions. Our general model provides a geometric extension of popular graph and matrix problems, including submatrix localization and $\mathbb{Z}_2$-synchronization, and includes the Geometric Stochastic Block Model (proposed by Sankararaman and Baccelli) as a special case. We study the fundamental limits of exact recovery of the vertex labels. Under a mild distinctness of distributions assumption, we determine the information-theoretic threshold for exact label recovery, in terms of a Chernoff-Hellinger divergence criterion. Impossibility of recovery below the threshold is proven by a unified analysis using a Cramér lower bound. Achievability above the threshold is proven via an efficient two-phase algorithm, where the first phase computes an almost-exact labeling through a local propagation scheme, while the second phase refines the labels. The information-theoretic threshold is dictated by the performance of the so-called genie estimator, which decodes the label of a single vertex given all the other labels. This shows that our proposed models exhibit the local-to-global amplification phenomenon.

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

HyperPotter: Spell the Charm of High-Order Interactions in Audio Deepfake Detection

arXiv:2602.05670v2 Announce Type: replace-cross Abstract: Advances in AIGC technologies have enabled the synthesis of highly realistic audio deepfakes capable of deceiving human auditory perception. Although numerous audio deepfake detection (ADD) methods have been developed, most rely on local temporal/spectral features or pairwise relations, overlooking high-order interactions (HOIs). HOIs capture discriminative patterns that emerge from multiple feature components beyond their individual contributions. We propose HyperPotter, a hypergraph-based framework designed to capture high-order relations associated with synergistic patterns through clustering-based hyperedges with class-aware prototype initialization. Extensive experiments on 13 test sets show that HyperPotter improves over the baseline on 11 sets, yielding an average relative EER reduction of 12.68\% across all test sets and 22.15\% on the improved sets. These results demonstrate strong cross-scenario generalization, while also revealing robustness limits under severe codec or channel distortion.