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01.
arXiv (quant-ph) 2026-06-17

Hamiltonian description of nonreciprocal interactions

arXiv:2505.05246v5 Announce Type: replace-cross Abstract: In a vast class of systems, which includes members as diverse as sedimenting particles and bird flocks, interactions do not stem from a potential, and are in general nonreciprocal. Thus, it is not possible to define a conventional energy function, nor to use analytical or numerical tools that rely on it. Here, we overcome these limitations by constructing a Hamiltonian that includes auxiliary degrees of freedom; when subject to a constraint, this Hamiltonian yields the original nonreciprocal dynamics. We show that Glauber dynamics based on the constrained Hamiltonian reproduce both stationary and nonstationary states of the original Langevin dynamics, as we explicitly illustrate for dissipative XY spins with vision-cone interactions. Further, the symplectic structure inherent to our construction enables us to apply the well-developed notions of Hamiltonian engineering, which we demonstrate by varying the amplitude of a periodic drive to tune the spin interactions between those of a square and a chain lattice geometry. Overall, our framework for generic nonreciprocal pairwise interactions paves the way for bringing to bear the full conceptual and methodological power of conventional statistical mechanics and Hamiltonian dynamics to nonreciprocal systems.

02.
arXiv (CS.LG) 2026-06-12

Adaptive Weighted Averaging

arXiv:2606.12763v1 Announce Type: new Abstract: We study the problem of selecting the largest among $n$ unknown values $x_1,\dots,x_n$ given only a single unbiased estimate $y_i$ for each $x_i$. We design strategies that are simultaneously admissible (not uniformly dominated by any other strategy) and also never worse than a given baseline such as uniform random selection. We provide an application to stochastic optimization, where we obtain online-to-batch conversion bounds with a desirable "no-compromise" guarantee: they are never worse than standard random iterate selection, and yet can be significantly better in benign settings.

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

RouteJudge: An Open Platform for Reproducible and Preference-Aware LLM Routing

arXiv:2606.18774v1 Announce Type: new Abstract: We present RouteJudge, an online pairwise preference evaluation framework for LLM routing systems, with a public platform available at https://routejudge.cn. Different from model-level response evaluation, RouteJudge focuses on router-level decision quality. For each user query, multiple routing strategies independently recommend candidate models under the same model pool and budget constraints. The selected model responses are then presented to users through anonymous pairwise comparisons, and the resulting user preferences are attributed back to the routing strategies behind the compared responses. Each evaluation record stores the query, routing decisions, model responses, preference labels, cost, latency, and task metadata, enabling preference-aware, cost-aware, and task-conditioned analysis of LLM routers. To support the continuous expansion of routing methods in RouteJudge, we further release ORBIT (Optimal Routing and Budgeted Inference Toolbox), a modular and extensible toolbox that standardizes the end-to-end workflow of LLM routing. ORBIT provides unified interfaces for benchmark loading, query representation, router implementation, budget-aware evaluation, and method comparison, allowing researchers to develop and evaluate routing algorithms under consistent protocols. It also serves as the submission and integration layer for RouteJudge: researchers can implement routing methods within ORBIT, validate them on existing routing benchmarks, and submit compatible routers for online preference-based evaluation. The code of ORBIT is available at https://github.com/AIGNLAI/LAMDA-ORBIT.

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

SPARC: Reliable Spatial Annotations from Robot Demonstrations at Scale

This work introduces Spatial Annotations from Robot Demonstrations with Reliability Calibration (SPARC), a risk-aware framework that automatically labels robot demonstrations with structured spatial annotations and assigns each annotation a reliability score. Structured spatial annotations, such as bounding boxes, object trajectories, and manipulation phase labels, benefit a broad range of robotics applications from training grounded robot policies and embodied foundation models to motion planning and hierarchical task composition. Existing automated pipelines generate such annotations at scale but provide no reliable quality signal: detector confidence is poorly calibrated for annotation correctness, forcing a choice between accepting noisy labels or discarding useful samples. In contrast to existing automated pipelines, SPARC leverages the spatio-temporal structure inherent to robot tasks to generate a reliability signal, reducing noisy labels and retaining more useful samples. We further introduce Interaction-Aware Bench (IA-Bench), a benchmark that measures model accuracy in grounding the locations of interacted objects in robot demonstrations. On 1.7k human-annotated demonstrations spanning diverse embodiments and scenarios, SPARC significantly outperforms detection-only baselines in localization accuracy while retaining three times more samples at high-precision operating points. Our experiments demonstrate that models finetuned on our annotations achieve state-of-the-art results on object-grounding and pointing benchmarks among similarly sized models, while remaining competitive on broader spatial-reasoning suites without manually verified or annotated training data. Furthermore, policies trained on SPARC-generated annotations outperform baselines in cluttered, visually ambiguous real-world scenes. Code, data, and models are available at intuitive-robots.github.io/sparc-labeling.

05.
arXiv (CS.LG) 2026-06-17

AIMER: Calibration-Free Task-Agnostic MoE Expert Pruning

arXiv:2603.18492v3 Announce Type: replace Abstract: Mixture-of-Experts (MoE) language models increase parameter capacity without proportional per-token computation, yet deployment still requires storing the full expert pool, making expert pruning important for reducing memory and serving overhead. Existing task-agnostic expert-pruning methods are typically calibration-dependent: they estimate expert importance from routing or activation statistics on a calibration set, making pruning decisions sensitive to calibration-data variation while introducing substantial preprocessing cost. We propose AIMER (Absolute mean over root mean square IMportance for Expert Ranking), a simple calibration-free criterion that identifies more distinct experts by capturing the concentration pattern of expert weights, making it well suited for task-agnostic expert pruning. Across 7B to 47B MoE language models with distinct architectures and 16 diverse benchmarks, AIMER consistently delivers stronger capability balance across diverse tasks than existing calibration-free methods. Surprisingly, AIMER also achieves better balance than strong calibration-based expert-pruning baselines calibrated on the widely used task-agnostic C4 corpus, while requiring only 0.22–2.06 seconds to score all experts.

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

Cross-Dataset, Age, and Gender Generalization: A Comprehensive Analysis of Fine-Tuning Strategies for Low-Resource Children's ASR

arXiv:2606.19791v1 Announce Type: cross Abstract: The challenge associated with recognizing dysarthric speech primarily arises from pronounced acoustic variability attributed to impaired articulatory precision. Past research has demonstrated improved recognition through the use of hybrid DNN/HMM sequence discriminative training. This paper presents a comprehensive investigation of various combinations of acoustic features tailored to different Acoustic Models, offering suitable feature selections for each. The incorporation of Pitch features notably improved recognition performance, especially for sentence recognition tasks involving dysarthric speech. Through a systematic examination of the TORGO database, we have demonstrated the potential to enhance the performance of the state-of-the-art Factorized Time Delay Neural Network (F-TDNN) model for recognizing dysarthric speech. Our methods, implemented with the F-TDNN model, resulted in a 4.65\% relative improvement in isolated word recognition and a 4.63\% relative improvement in sentence recognition for dysarthric speech, compared to previous research. This improvement effectively compensates for speech variability, attributable to our deliberate selection of the number of overlapping frames between consecutive training example chunks.

07.
arXiv (CS.LG) 2026-06-16

OptEMA: Adaptive Exponential Moving Average for Stochastic Optimization with Zero-Noise Optimality

作者:

arXiv:2603.09923v4 Announce Type: replace Abstract: Exponential moving averages (EMAs) are a central component of widely used adaptive optimizers such as Adam. However, existing analyses of Adam-style methods often yield suboptimal guarantees in the zero-noise regime, rely on open-loop parameter schedules, or require prior knowledge of smoothness constants. Motivated by these limitations, we introduce OptEMA and analyze two complementary variants: OptEMA-M, which applies an adaptive, decreasing EMA coefficient to the first moment with a fixed second-moment decay, and OptEMA-V, which swaps these roles. At the heart of these variants is a Corrected AdaGrad-Norm coefficient schedule. This formulation renders OptEMA algorithmically closed-loop and Lipschitz-free, meaning its effective stepsizes are trajectory-dependent and require no parameterization via the Lipschitz constant. Under lower-boundedness, unbiasedness, bounded variance, average smoothness, and a bounded stochastic-gradient condition used to control the adaptive normalizers, we prove that both variants achieve the unified noise-adaptive rate $\tilde{\mathcal{O}} \left(T^{-1/2}+\sigma^{1/2}T^{-1/4}\right)$ for the averaged gradient norm. In the zero-noise regime, these bounds automatically reduce to the nearly optimal deterministic rate $\widetilde{\mathcal{O}}(T^{-1/2})$ without manual hyperparameter retuning.

08.
PLOS Computational Biology 2026-06-01

BeetleAtlas 2: An enhanced <i>Tribolium castaneum</i> web resource for tissue and developmental transcriptomics allowing refinement of gene predictions

by David P. Leader, Muhammad T. Naseem, Janina L. Rinke, Kenneth Veland Halberg BeetleAtlas is an online resource for tissue- and stage-specific transcriptomics in the red flour beetle, Tribolium castaneum. On updating from the original Tcas5.2 genome assembly to the more recent improved icTriCast1.1 genome assembly it became evident that there were major discrepancies between the gene models of the two genome annotations in use: the OGS3 and the NCBI gene sets. As neither was clearly superior we implemented a new design in BeetleAtlas 2 (beetleatlas.org) comprising two parallel ‘modes’ — one incorporating results using the NCBI gene models and a second incorporating those using the OGS3 gene models. This allows direct comparison where equivalent gene models exist: 50–57% of cases. To aid resolution of discrepancies between the two gene model sets and verification of results, gene models are linked to a custom visualization of RNA-seq read coverage of the genome in the UCSC Genome Browser. This displays reads from 22 tissues and life stages superimposed on the icTriCast1.1 genome assembly. Reference tracks show the NCBI gene models, the OGS3 gene models after translation of their coordinates from the Tcas5.2 assembly, and 1050 discontinued NCBI gene models from the previous assembly after a similar transfer of coordinates. We document various situations in which distinct patterns of expression of the tissues can be used to confirm and extend correlations between the two gene sets, resolve discrepancies between them, make corrections and identify putative genes or exons absent from the current gene sets. BeetleAtlas 2 allows those involved in Tribolium research to avoid the pitfalls inherent in incorrect gene models when planning experiments on specific genes and interpreting the results. It also demonstrates how BeetleAtlas 2 might play an important role in establishing a revised gene set for Tribolium castaneum in the future.

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

Pixel-TTS: Image based Text Rendering for Robust Text-to-Speech

Recent advances in pixel-based text modeling show that representing text as images enables models to exploit visual cues for language understanding. Grounding text in its visual form allows structurally similar characters with different Unicode encodings to produce similar embeddings, benefiting cross-lingual and zero-shot scenarios. Conventional text-based approaches treat each character independently, limiting generalization to unseen characters and requiring embedding expansion during cross-lingual adaptation. We propose Pixel-TTS, the first framework for visually grounded speech synthesis. It renders text as images and projects them through a 2D convolutional layer to generate embeddings. This design eliminates embedding matrix expansion during fine-tuning while improving robustness to unseen characters and orthographic variations. Extensive experiments show Pixel-TTS achieves competitive performance with strong baselines, faster convergence and robust zero-shot generalization.

10.
arXiv (CS.AI) 2026-06-15

GAGPO: Generalized Advantage Grouped Policy Optimization

arXiv:2605.13217v1 Announce Type: cross Abstract: Reinforcement learning has become a powerful paradigm for post-training large language model agents, yet credit assignment in multi-turn environments remains a challenge. Agents often receive sparse, trajectory-level rewards only at the end of an episode, making it difficult to determine which intermediate actions contributed to success or failure. As a result, propagating delayed outcomes back to individual decision steps without relying on costly auxiliary value models remains an open problem. We propose Generalized Advantage Grouped Policy Optimization (GAGPO), a critic-free reinforcement learning method for precise, step-aligned temporal credit assignment. GAGPO constructs a non-parametric grouped value proxy from sampled rollouts and uses it to compute TD/GAE-style temporal advantages, recursively propagating outcome supervision backward through time. Combined with group-wise advantage normalization and an action-level importance ratio, GAGPO extracts stable, localized optimization signals directly from multi-turn trajectories. Experiments on ALFWorld and WebShop show that GAGPO outperforms strong reinforcement learning baselines. Further analyses demonstrate faster early-stage learning, improved interaction efficiency, and smoother optimization dynamics, suggesting that GAGPO offers a simple yet effective framework for multi-turn agentic reinforcement learning.

11.
arXiv (math.PR) 2026-06-11

Markov property and path regularity for the solutions to SPDEs driven by cylindrical-martingale valued measures

arXiv:2606.12381v1 Announce Type: new Abstract: In this paper we prove the Markov property for the solution to stochastic partial differential equations driven by a cylindrical orthogonal martingale-valued measure. We assume our coefficients are time-dependent and satisfy some growth and Lipschitz conditions. We also prove that for time-independent coefficients and under mild assumptions on the cylindrical orthogonal martingale-valued measure, the solutions to our stochastic partial differential equations are Feller. Finally, in the case that the $C_{0}$-semigroup is quasi-contraction, we show that the solution to our stochastic partial differential equation possesses a càdlàg version.

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

REFLEX: Reflective Evolution from LLM Experience

作者:

Large multimodal language models (LLMs) have emerged as powerful tools for guiding evolutionary search toward interpretable programmatic policies. However, existing frameworks rely on a monolithic model call to simultaneously interpret visual behavioral evidence and synthesize corrective code. This diagnosis-repair entanglement creates an opaque feedback loop, obscuring the rationale behind mutations and preventing the retention of algorithmic insights across independent runs. To achieve auditable and efficient policy search, we argue that visual diagnosis must be structurally decoupled from code generation. We present REFLEX, a train-free evolutionary framework that operationalizes this decoupling. In REFLEX, a vision-enabled Critic first distills task-specific behavioral evidence into structured, auditable diagnoses. Subsequently, a text-optimized Actor synthesizes child policies using these diagnoses alongside a persistent, self-evolving Skill Memory of reusable code snippets. This architecture not only provides transparent mutation traces but also enables cross-run programmatic knowledge transfer. Extensive evaluations across control benchmarks (Lunar Lander, Acrobot, Pendulum) and a 36-dimensional antenna array synthesis task demonstrate exceptional sample efficiency. Notably, REFLEX solves Acrobot and Pendulum in under 10 LLM calls and reaches a best Normalized Weighted Score of 1.092 on Lunar Lander, achieving highly competitive final performance while significantly accelerating the early-stage discovery of transparent policies.

13.
arXiv (CS.AI) 2026-06-16

Optimizing LLM Inference: Fluid-Guided Online Scheduling with Memory Constraints

arXiv:2504.11320v4 Announce Type: replace-cross Abstract: Large language models now serve millions of users daily, with providers incurring costs exceeding $700,000 per day. Each request requires token-by-token inference, making GPU scheduling central to latency, capacity, and cost. The difficulty is endogenous memory growth: generated tokens expand the Key-Value (KV) cache, and overflow can evict in-progress requests and waste prior computation. We formulate inference as a multi-stage online scheduling problem with endogenous memory growth, linear iteration times, and GPU-resident KV-cache constraints. We introduce a fluid model that characterizes equilibrium batch composition, memory requirement, and stability region. Guided by the fluid model, we design WAIT (Waiting for Accumulated Inference Threshold), a threshold-based admission rule for known output lengths, and Nested WAIT, which extends the rule to unknown output lengths by regulating how requests advance across decode-stage segments. Both algorithms approximate the fluid benchmark asymptotically under the stated memory conditions. Nested WAIT uses an additional safety buffer of moderate scale to hedge against memory-overflow-induced evictions under unknown output lengths. In Vidur simulations configured for Llama-2-7B on an A100 GPU, with supplemental real-GPU validation reported in the appendix, the policies enlarge the empirically observed stable operating range relative to widely used baseline algorithms and reduce latency especially in near-overloaded and overloaded regimes.

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

CreativeBench: Benchmarking and Enhancing Machine Creativity via Self-Evolving Challenges

The saturation of high-quality pre-training data has shifted research focus toward evolutionary systems capable of continuously generating novel artifacts, leading to the success of AlphaEvolve. However, the progress of such systems is hindered by the lack of rigorous, quantitative evaluation. To tackle this challenge, we introduce CreativeBench, a benchmark for evaluating machine creativity in code generation, grounded in a classical cognitive framework. Comprising two subsets – CreativeBench-Combo and CreativeBench-Explore – the benchmark targets combinatorial and exploratory creativity through an automated pipeline utilizing reverse engineering and self-play. By leveraging executable code, CreativeBench objectively distinguishes creativity from hallucination via a unified metric defined as the product of quality and novelty. Our analysis of state-of-the-art models reveals distinct behaviors: (1) scaling significantly improves combinatorial creativity but yields diminishing returns for exploration; (2) larger models exhibit ``convergence-by-scaling,'' becoming more correct but less divergent; and (3) reasoning capabilities primarily benefit constrained exploration rather than combination. Finally, we propose EvoRePE, a plug-and-play inference-time steering strategy that internalizes evolutionary search patterns to consistently enhance machine creativity.

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

Jacobian Scopes: token-level causal attributions in LLMs

Large language models (LLMs) make next-token predictions based on clues present in their context, such as semantic descriptions and in-context examples. Yet, elucidating which prior tokens most strongly influence a given prediction remains challenging due to the proliferation of layers and attention heads in modern architectures. We propose Jacobian Scopes, a suite of gradient-based, token-level causal attribution methods for interpreting LLM predictions. Grounded in perturbation theory and information geometry, Jacobian Scopes quantify how input tokens influence various aspects of a model's prediction, such as specific logits, the full predictive distribution, and model uncertainty (effective temperature). Through case studies spanning instruction understanding, translation, and in-context learning (ICL), we demonstrate how Jacobian Scopes reveal implicit political biases, uncover word- and phrase-level translation strategies, and shed light on recently debated mechanisms underlying in-context time-series forecasting. To facilitate exploration of Jacobian Scopes on custom text, we open-source our implementations and provide a cloud-hosted interactive demo at https://huggingface.co/spaces/Typony/JacobianScopes.

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

TriFlow: Generating Artist-Like 3D Mesh Topology via Nearest-Vertex Vector Fields

We present TriFlow, a new generative approach for producing compact 3D meshes with artist-like triangle topology directly from input geometry conditions such as signed distance fields. Our key insight is to represent mesh topology as a nearest-vertex vector field (NVF) defined over the surface, where each point encodes its association to the nearest triangle vertex in the local barycentric frame. We train a latent flow-matching model to synthesize this field, enabling topology generation conditioned on the input geometry. To extract a coherent mesh, we cluster surface regions using the generated NVF and guide a constrained quadric error metric (QEM) mesh simplification with topology-aware optimization. This yields output meshes that closely match the input geometry while exhibiting structured, artist-like connectivity. Experiments demonstrate that TriFlow achieves stronger generalization and significantly improved topology quality compared to state-of-the-art learning-based approaches, alongside 90% lower Chamfer Distance and an 8x speedup.

17.
arXiv (CS.AI) 2026-06-19

Which Pairs to Compare for LLM Post-Training?

arXiv:2606.19607v1 Announce Type: new Abstract: Preference-based post-training has become a central paradigm for aligning language models. A common data-collection strategy is to generate a small set of completions for each prompt and label the resulting comparison pairs. However, human preference labels are often much more expensive than generating additional completions, suggesting a different use of the same labeling budget: generate a larger pool of completions, but label only the most informative comparison pairs. This paper studies which pairs should be compared in preference-based post-training. We formulate comparison curation as a sampling-design problem and evaluate designs by the quality of the final policy under the preference-based post-training objective. We instantiate this framework for Direct Preference Optimization (DPO), analyzing how the choice of labeled pairs propagates through DPO training to downstream policy performance. Our main results provide matching upper and lower bounds on the post-training optimality gap of the DPO-trained policy. The bounds show that comparison selection affects downstream performance through a single design-dependent information matrix, which links label allocation to parameter estimation error and policy suboptimality. This yields an explicit optimization criterion for budgeted comparison curation and motivates practical sampling designs for selecting informative pairs from large generated completion pools. Experiments on synthetic settings and language-model post-training benchmarks show that the proposed designs consistently improve sample efficiency over common comparison-selection heuristics.

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

ConTex: Reformulating Counterfactual Generation For Time Series Forecasting

arXiv:2606.18049v1 Announce Type: new Abstract: Decision-making with deep learning-based time series forecasting requires not only accurate predictions but also actionable insights. However, current architectures do not inherently provide such information. Specifically, guidance is needed on how current conditions must be modified to shift from a predicted outcome to a desired future scenario. Counterfactual explanations provide a natural framework for this task, as they represent minimal input changes that alter the model's prediction, indicating when and how intervention is required. Existing approaches rely on instance-wise optimization, leading to inconsistency across instances, high computational costs, and limited applicability in real-time settings. To address these limitations, we reformulate counterfactual generation for time series forecasting as the problem of learning a globally consistent intervention strategy, allowing counterfactuals to be generated through a single shared function. We propose Counterfactual Time Series Explanations (ConTex), a model-agnostic, decomposed architecture comprising a temporal context encoder and a conditional encoder, followed by two heads that capture interventions in terms of temporal relevance and modification strength. This structure overcomes the instability and inconsistency of instance-based approaches by producing targeted, interpretable interventions across time and feature dimensions in a single forward pass, making it suitable for real-time applications. Across multiple forecasting architectures and benchmark datasets, ConTex achieves state-of-the-art validity while generating sparse counterfactuals that minimize the number of necessary interventions. Additionally, our approach reduces computational cost by at least 12-36x compared to instance-wise generation and supports real-time inference at approximately 0.007 seconds.

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

DiverseDiT: Towards Diverse Representation Learning in Diffusion Transformers

Recent breakthroughs in Diffusion Transformers (DiTs) have revolutionized the field of visual synthesis due to their superior scalability. To facilitate DiTs' capability of capturing meaningful internal representations, recent works such as REPA incorporate external pretrained encoders for representation alignment. However, the underlying mechanisms governing representation learning within DiTs are not well understood. To this end, we first systematically investigate the representation dynamics of DiTs. Through analyzing the evolution and influence of internal representations under various settings, we reveal that representation diversity across blocks is a crucial factor for effective learning. Based on this key insight, we propose DiverseDiT, a novel framework that explicitly promotes representation diversity. DiverseDiT incorporates long residual connections to diversify input representations across blocks and a representation diversity loss to encourage blocks to learn distinct features. Extensive experiments on ImageNet 256x256 and 512x512 demonstrate that our DiverseDiT yields consistent performance gains and convergence acceleration when applied to different backbones with various sizes, even when tested on the challenging one-step generation setting. Furthermore, we show that DiverseDiT is complementary to existing representation learning techniques, leading to further performance gains. Our work provides valuable insights into the representation learning dynamics of DiTs and offers a practical approach for enhancing their performance.

20.
Nature Medicine 2026-06-15

Activity-dependent adaptive deep brain stimulation improves gait in Parkinson’s disease

Parkinson’s disease leads to a spectrum of locomotor deficits that vary in severity with the nature of daily activities and the fluctuating physiology of patients. Many of these deficits remain inadequately addressed by existing deep brain stimulation therapies that rely on activity-agnostic parameters optimized for cardinal motor symptoms. By contrast, therapies embedding activity-specific parameters have the potential to better address the entire range of symptoms. Here we expose physiological principles that enable real-time decoding of ongoing locomotor activities across motor fluctuations from the neural dynamics of the subthalamic nucleus. This decoding steered activity-dependent adaptations of deep brain stimulation therapies that improved locomotor deficits while preserving efficacy for cardinal motor symptoms across activities of daily living. Our activity-dependent framework provides a blueprint for next-generation neuromodulation therapies that continuously select parameters optimized to the behavioral context and fluctuating physiology of each patient. ClinicalTrials.gov registration NCT06791902 . Neural decoding algorithms that leverage physiological principles of locomotor encoding support activity-dependent deep brain stimulation therapies that improve locomotor deficits in people with Parkinson’s disease.

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

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

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

22.
medRxiv (Medicine) 2026-06-15

Artificial Intelligence-Based Detection of Airway Mucus Plugs on CT and Associations With Clinical Outcomes in COPDGene

RATIONALE: Airway mucus plugging is a clinically relevant manifestation of airway pathology in chronic obstructive pulmonary disease (COPD) and is associated with increased mortality even in early disease; however, visual computed tomography (CT) assessment is subjective and labor intensive. OBJECTIVES: To develop an AI-based quantitative CT method for automated detection of airway mucus plugging and evaluate associations with physiologic impairment and clinical outcomes. METHODS: Inspiratory CT scans from 8,971 COPDGene Phase 1 (GOLD 0-4 and PRISm) participants were analyzed. An AI-based framework combining 3D airway segmentation discontinuities and convolutional neural network classification identified mucus plug obstructions, yielding mucus plug burden (total plug count). Associations with outcomes were evaluated using covariate-adjusted models. MEASUREMENTS AND MAIN RESULTS : Higher mucus plug burden was associated with lower post-bronchodilator FEV % predicted ({rho} = -0.41; P < 0.001), greater air trapping (LAA < -856 HU; {rho} = 0.33; P < 0.001), worse health status (SGRQ; {rho} = 0.31; P < 0.001), and shorter 6-minute walk distance ({rho} = -0.26; P < 0.001). Among GOLD 1-4 participants, mucus plug presence was independently associated with increased all-cause mortality (adjusted hazard ratio, 1.28; P < 0.005) and exacerbation frequency (adjusted incidence rate ratio, 1.32; P < 0.005). Plug presence was also associated with increased respiratory mortality across GOLD categories and cardiovascular mortality in GOLD 1-2. CONCLUSIONS: AI-based quantitative CT assessment of airway mucus plugging provides a scalable, reproducible measure associated with physiologic impairment and adverse outcomes in COPD, supporting its role in risk stratification and future therapeutic studies.

23.
arXiv (CS.AI) 2026-06-11

Conformal Risk-Averse Decision Making with Action Conditional Guarantee

arXiv:2606.05551v2 Announce Type: replace-cross Abstract: Reliable decision making pipelines powered by machine learning models require uncertainty quantification (UQ) methods that come with explicit safety guarantees. Conformal prediction provides such UQ by wrapping ML predictions into prediction sets, and recent work by Kiyani et al. (2025b) established that these sets can be translated into optimal risk-averse decision policies – yet only inheriting marginal safety guarantees. We generalize and strengthen their results by (i) introducing action-conditional conformal prediction, which yields safety guarantees conditioned explicitly on each action taken by the decision maker, (ii) showing that action-conditional prediction sets serve as a proxy for the feasible decision space for risk-averse decision makers aiming to optimize action-conditional value-at-risk, and (iii) proposing a principled finite-sample algorithm based on pinball-loss minimization, connecting the framework of Gibbs et al. (2025) to action-conditional guarantees. Experiments on two real-world datasets confirm that our approach significantly improves action-conditional performance over conformal baselines.

24.
arXiv (quant-ph) 2026-06-19

Emergency hub placement with a neutral-atom quantum computer

arXiv:2606.19589v1 Announce Type: new Abstract: We study the problem of emergency operation center placement in disaster response, where a minimal number of hubs must be selected to ensure timely coverage of all affected locations. This task can be formulated as a minimum dominating set problem on a graph encoding reachability within a target response time. We propose a hybrid quantum-classical approximation framework that leverages neutral-atom quantum computers as independent set samplers. Candidate dominating sets are constructed from both small maximal independent sets and complements of large independent sets, and are subsequently refined via a lightweight classical procedure. We benchmark the approach on synthetic instances and realistic case studies, and implement it on the Fresnel quantum processor by Pasqal, solving instances of up to 100 nodes. Our results show that quantum-generated samples, despite hardware noise, enable near-optimal solutions of the placement problem. Overall, our results demonstrate that neutral-atom devices operating in analog mode can already be used to tackle graph optimization problems for real-world applications.

25.
arXiv (math.PR) 2026-06-17

Moment generating function of the tacnode process

作者:

arXiv:2606.17771v1 Announce Type: cross Abstract: The tacnode process is a universal determinantal point process arising in non-intersecting particle systems and random tiling models. In this paper, we study the generating function for the counting functions of the tacnode process on a union of $m$ intervals, $m\in\mathbb{N}^{+}$. Our first result provides an integral representation for the $m$-point generating function in terms of the Hamiltonian governing a system of $8m+4$ coupled differential equations. Combined with several differential identities for this Hamiltonian, the representation yields the large gap asymptotics, up to and including the constant term. As further applications, we obtain asymptotic formulae for the expectations, variances, and covariances of the counting functions, and establish a central limit theorem for their joint fluctuations. These results extend the previously known $1$-point theory for the tacnode process to the multi-interval setting with multiple discontinuities.