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

Transposition Approach to Optimal Control of McKean-Vlasov SPDEs

作者:
Liangying Chen↗Wilhelm Stannat↗

arXiv:2603.06245v2 Announce Type: replace Abstract: In this paper, we investigate an optimal control problem for McKean-Vlasov stochastic partial differential equations, in which the coefficients depend on the law of the state process. For systems with nonconvex control sets, we establish a Pontryagin-type stochastic maximum principle that provides necessary optimality conditions for admissible controls. The analysis is based on the classical spike variation method together with the introduction of an adjoint backward stochastic partial differential equation involving Lions derivatives with respect to probability measures. Our results extend the stochastic maximum principle for McKean-Vlasov controlled stochastic differential equations to the infinite-dimensional SPDE setting.

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

Assessment of Personality Dimensions Across Situations in Dyadic Role-Play Scenarios

作者:
Alice Zhang↗Skanda Muralidhar↗Daniel Gatica-Perez↗Mathew Magimai-Doss↗

arXiv:2507.19137v3 Announce Type: replace-cross Abstract: Prior research indicates that users prefer assistive technologies whose personalities align with their own. This has sparked interest in automatic personality perception (APP), which aims to predict an individual's perceived personality traits. Previous studies in APP have treated personalities as static traits, independent of context. However, perceived personalities can vary by context and situation as shown in psychological research. In this study, we investigate the relationship between conversational speech and perceived personality for participants engaged in two work situations (a neutral interview and a stressful client interaction). Our key findings are: 1) perceived personalities differ significantly across interactions, 2) loudness, sound level, and spectral flux features are indicative of perceived extraversion, agreeableness, conscientiousness, and openness in neutral interactions, while neuroticism correlates with these features in stressful contexts, 3) handcrafted acoustic features and non-verbal features outperform speaker embeddings in inference of perceived personality, and 4) stressful interactions are more predictive of neuroticism, aligning with existing psychological research.

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03.
medRxiv (Medicine) 2026-06-18

The relationship between serotonin transporter occupancy and extracellular serotonin concentration is hyperbolic, not linear: implications for safely tapering antidepressants

作者:
Cohrs↗Shapiro↗

Background: Hyperbolic tapering is an increasingly recognized approach for discontinuing serotonin reuptake inhibitor (SRI) antidepressants that involves non-linear dose reductions with equal stepwise reductions in serotonin transporter (SERT) occupancy to mitigate withdrawal symptoms. Its theoretical basis is the hyperbolic relationship between SRI dose and SERT occupancy reported in radioligand imaging studies. Hyperbolic tapering implicitly assumes that changes in SERT occupancy approximate changes in biologic effect and withdrawal risk. Because SERT occupancy plateaus across the therapeutic dose range of SRIs, this framework predicts relatively small biologic effects and withdrawal risk within this range. However, SERT occupancy influences serotonergic activity only indirectly via its effects on extracellular serotonin concentrations, and the relationship between these two variables is poorly characterized. Methods: We developed a two-pathway clearance model derived from mass-action kinetics to evaluate the steady-state relationship between SERT occupancy and extracellular serotonin concentrations under chronic SRI treatment. Results: Our analysis indicates that serotonin concentrations increase hyperbolically as transporter occupancy increases, suggesting that biologically meaningful differences in serotonergic signaling persist across the therapeutic dose range of SRIs despite plateauing occupancy. Conclusions: Our model predicts a hyperbolic relationship between SERT occupancy and extracellular serotonin concentrations, suggesting that changes in occupancy may not map proportionally onto serotonergic effect. These findings provide a potential mechanistic explanation for dose-dependent clinical effects of SRIs despite plateauing transporter occupancy and generate testable hypotheses regarding antidepressant tapering strategies. Empirical validation is warranted.

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04.
arXiv (CS.CV) 2026-06-18

Semantic Robustness Certification for Vision-Language Models

作者:
Peiyu Yang↗Paul Montague↗Feng Liu↗Andrew C. Cullen↗Amardeep Kaur↗Christopher Leckie↗Sarah M. Erfani↗

Vision-language models (VLMs) are now widely used in downstream tasks. However, real-world applications often expose VLMs to distribution shifts induced by semantic variation (e.g., shape, size, and style). Robustness certification determines if a model's prediction changes when transformations are applied to its input. While most certification frameworks study geometric or pixel-level transformations over inputs, this work proposes a novel framework that enables certifying VLM robustness under semantic-level transformations. Leveraging the open-vocabulary capability of VLMs, we use text prompts as semantic proxies to construct transformations parameterized by an extent that controls the degree of semantic variation. By characterizing the VLM decision boundary in closed form, our framework quantitatively certifies extent intervals for which the predicted class remains unchanged under the semantic transformation. Our framework is the first to certify VLM robustness under semantic-level variations without requiring additional data for each variation, making it practical to apply. Experiments on both synthetic and real-world data show that our framework enables certifying robustness under diverse semantic variations across scenarios.

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06.
medRxiv (Medicine) 2026-06-15

Differential DNA Methylation and Delirium After Anesthesia and Surgery

作者:
Hogan↗Berger↗Kolstad↗Madrid↗Hsia↗Wright↗Devinney↗Smith↗Aisch↗

Background: DNA methylation is an epigenetic modification that regulates gene expression in response to environmental exposures. We measured differential DNA methylation levels in blood before after general anesthesia and surgery in participants with and without postoperative delirium (POD) and postoperative neurocognitive disorder (PNCD). Methods: Blood sampling, delirium assessment and cognitive testing were prospectively performed at baseline before non-cardiac, non-neurologic surgery, and at 24 hours (24h) and 6 weeks (6wk) thereafter in 94 participants comprising 13 with POD and 81 without POD, and 40 with PNCD and 54 without PNCD 6wk after surgery who were matched for age and sex in the INTUIT and MADCO cohorts. DNA methylation was assessed using the Illumina Infinium MethylationEPIC Beadchip. Results: 132 differentially methylated positions (DMPs) annotated to 198 differentially methylated genes (DMGs) were identified in 94 participants 24h after surgery compared to baseline with a local false discovery rate (LFDR)

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07.
arXiv (CS.LG) 2026-06-12

Learning-Augmented Approximation for Unrelated-Machines Makespan Scheduling

作者:
Kaito Baba↗Evripidis Bampis↗Giorgos Mitropoulos↗

arXiv:2606.13133v1 Announce Type: cross Abstract: Recently, Antoniadis et al. (ICLR 2025) proposed a framework for incorporating predictions to approximate NP-hard selection problems. Despite its simplicity, this approach tightly matches theoretical lower bounds, making its generalization highly compelling. We address an open question raised in the work of Antoniadis et al., concerning the extension of this approach to other important problems outside the class of selection problems, such as scheduling. We develop a learning-augmented algorithm for the makespan minimization problem on unrelated machines, denoted by $R\|C_{\max}$. By using predictions of heavy job assignments, we achieve a polynomial-time $(1+\varepsilon)$-approximation for accurate predictions that smoothly degrades to a worst-case 2-approximation as the error increases. We conclude our work with an empirical analysis of our method.

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08.
arXiv (CS.LG) 2026-06-19

Data Bias Mitigation under Coverage Constraints & The Price of Fairness

作者:
Bruno Scarone↗Alfredo Viola↗Ren\'ee J. Miller↗

arXiv:2606.20461v1 Announce Type: new Abstract: Machine learning models have been shown to exhibit discriminatory outcomes or degraded performance for individuals at the intersection of multiple sensitive attributes, such as race and gender. This stems in part from two interrelated challenges: the lack of principled measures for quantifying bias (potentially intersectional), and insufficient representation of intersectional subgroups in training data. We extend a recent bias mitigation framework to incorporate coverage constraints that enforce sufficient representation across groups, including intersectional subgroups. Since achieving exactly zero bias for all groups may not be data efficient (meaning it may require large amounts of data), our solution trades small approximation errors in bias for greater data efficiency while satisfying coverage constraints. We also formulate bias mitigation as an integer linear program that optimizes over all mitigation strategies, and characterize the price of fairness, the minimum data modification cost, as a function of fairness tolerance. This is essential both for legal compliance, where regulations may mandate specific fairness thresholds, and for data governance, enabling practitioners to make informed trade-offs between bias reduction and data modification (particularly, data purchasing) costs. We evaluate our techniques on publicly available datasets, demonstrating that bias mitigation via our framework preserves predictive accuracy across multiple classifiers, and that coverage constraints, while motivated by statistical considerations, are essential for preserving downstream ML performance.

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09.
arXiv (CS.CL) 2026-06-12

Detect, Remask, Repair: Diffusion Editing for Faithful Summarization of Evolving Contexts

作者:
Hao Zou↗Zachary Horvitz↗Chandhru Karthick↗Zhou Yu↗Kathleen McKeown↗

Summaries of real-world events can become outdated as contexts evolve and new information arrives. A common response is to generate a new summary from the updated context, but full regeneration discards the previous draft, can obscure what changed, and may be unnecessary when only a few claims are unsupported. We study localized faithfulness repair: updating outdated spans in an existing summary while preserving supported content. We propose DETECT-REMASK-REPAIR, a diffusion-based framework that identifies, remasks, and repairs outdated regions with masked diffusion language models. To evaluate evolving-context summarization, we introduce StreamSum, a benchmark of synthetic event timelines. Experiments on DialogSum and StreamSum show that localized diffusion repair provides a controllable alternative to full rewriting: faithfulness-steered repair improves early drafts, one-step repair reduces repair cost to under half a second, with the framework enabling faithfulness-speed-preservation tradeoffs across datasets. We also find that the framework can provide a post-hoc correction step that improves faithfulness for autoregressive systems.

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10.
medRxiv (Medicine) 2026-06-18

AlphaGenome identifies a deep intronic variant in a family with PLA2G6-associated neurodegeneration: Closing the diagnostic gap in rare genetic diseases

作者:
Eger↗S. J↗Lopez↗Gomez Navarro↗L. F↗Pena-Tauber↗Cochran↗J. N↗Hiatt↗S. M↗Gelvez↗Garcia-Garcia↗…

A molecular diagnosis remains out of reach for a substantial subset of patients with clinically recognizable Mendelian disorders, even after comprehensive next-generation sequencing. Causal variants in non-coding regions are difficult to detect and interpret using standard pipelines. Deep intronic variants that disrupt splicing are a known but underexplored source of pathogenic alleles, and systematic tools to evaluate them at scale have only recently emerged. We aimed to resolve an incomplete genetic diagnosis in two siblings with early-onset parkinsonism, prominent neuropsychiatric features, and autonomic dysfunction consistent with PLA2G6-associated neurodegeneration (PLAN), an autosomal recessive condition. Prior clinical exome sequencing, genome sequencing, Multiplex Ligation-dependent Probe Amplification (MLPA), and long-read sequencing had identified only a single heterozygous PLA2G6 missense variant, c.2132C>G (p.Pro711Arg). We used AlphaGenome to score 91 non-coding variants shared among the affected siblings and their father within 1 megabase of the PLA2G6 locus. The deep-learning model identified an intronic variant (c.2034+355G>A) that was predicted to create a cryptic splice acceptor site that could result in inclusion of a 160-bp cryptic exon. Tissue-specific predictions indicated the aberrant splicing would be detectable in blood, confirmed by junction-spanning RNA-seq reads from an unrelated carrier. This analysis completed a compound heterozygous PLAN diagnosis nearly two decades after symptom onset and demonstrates the utility of sequence-to-function models. Systematic integration of tools like AlphaGenome into rare disease workflows offers a practical, low-barrier route to closing the diagnostic gap for patients with compelling Mendelian phenotypes and incomplete genetic diagnoses.

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11.
arXiv (CS.CL) 2026-06-19

DeXposure-Claw: An Agentic System for DeFi Risk Supervision

作者:
Aijie Shu↗Bowei Chen↗Wenbin Wu↗Cathy Yi-Hsuan Chen↗Fengxiang He↗

Decentralized finance exposes supervisors to fast-moving, networked credit risks. General-purpose LLM agents fit this setting poorly: they over-read weak evidence and recommend high-stakes interventions, while existing evaluations offer no regulator-aligned way to measure the resulting false alarms. We introduce DeXposure-Claw, a forecast-grounded agentic supervision system that routes LLM decisions through structured evidence: (1) DeXposure-FM, a graph time-series foundation model, forecasts future exposure networks; (2) deterministic monitors and stress scenarios then turn those forecasts into typed alerts, attribution signals, and scenario evidence; and (3) data-health and confidence gates constrain escalation before DeXposure-Claw emits auditable supervisory tickets with rationales. We further develop DeXposure-Bench, a six-axis evaluation harness, whose decision axis scores tickets against a regulator-aligned absolute-loss ground truth and an explicit false-intervention rate. Experiments on five years of weekly real data fully support our system. Code is at https://github.com/EVIEHub/DeXposure-Claw.

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12.
arXiv (CS.AI) 2026-06-19

PrototypeNAS: Rapid Design of Deep Neural Networks for Microcontroller Units

作者:
Mark Deutel↗Simon Geis↗Axel Plinge↗

arXiv:2603.15106v2 Announce Type: replace Abstract: Enabling efficient deep neural network (DNN) inference on edge devices with different hardware constraints is a challenging task that typically requires DNN architectures to be specialized for each device separately. To avoid the huge manual effort, one can use neural architecture search (NAS). However, many existing NAS methods are resource-intensive and time-consuming because they require the training of many different DNNs from scratch. Furthermore, they do not take the resource constraints of the target system into account. To address these shortcomings, we propose PrototypeNAS, a zero-shot NAS method to accelerate and automate the selection, compression, and specialization of DNNs to different target microcontroller units (MCUs). We propose a novel three-step search method that decouples DNN design and specialization from DNN training for a given target platform. First, we present a novel search space that not only cuts out smaller DNNs from a single large architecture, but instead combines the structural optimization of multiple architecture types, as well as optimization of their pruning and quantization configurations. Second, we explore the use of an ensemble of zero-shot proxies during optimization instead of a single one. Third, we propose the use of Hypervolume subset selection to distill DNN architectures from the Pareto front of the multi-objective optimization that represent the most meaningful tradeoffs between accuracy and FLOPs. We evaluate the effectiveness of PrototypeNAS on 12 different datasets in three different tasks: image classification, time series classification, and object detection. Our results demonstrate that PrototypeNAS is able to identify DNN models within minutes that are small enough to be deployed on off-the-shelf MCUs and still achieve accuracies comparable to the performance of large DNN models.

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

PhysGuard: Fisher-Guided Gradient Projection for Sim-to-Real Neural PDE Surrogates

作者:
Changjian Zhou↗Junfeng Fang↗Negin Yousefpour↗Peng Wu↗Bin Yan↗Guillermo A Narsilio↗

arXiv:2606.16602v1 Announce Type: new Abstract: Neural operator models trained on simulation data often lose accuracy when applied to experimental measurements due to the sim-to-real gap. Standard fine-tuning with limited real data can reduce this gap, but it may also damage the core physics-relevant representations learned during pretraining. Although knowledge-preserving adaptation has been widely investigated in vision or language tasks, it remains unclear whether these methods are suitable for neural operators whose architectures and protected knowledge are fundamentally different. Neural operators need to preserve core-scale physical structures rather than semantic or visual features. We propose PhysGuard, a physics-preserving framework for accurate sim-to-real adaptation of neural operators. Specifically, PhysGuard uses the empirical Fisher Information Matrix computed on simulation data to identify physics-critical parameter directions, then restricts fine-tuning updates to directions that do not interfere with them. A layer-wise Gram-matrix formulation makes this efficient for models with millions of parameters, while an adaptive threshold automatically determines the protected subspace size. A spectral probe experiment shows that the dominant Fisher directions are strongly associated with low-frequency output structures. Experiments on benchmark across four neural operator architectures and different physical systems show that PhysGuard performs strongly on most evaluation metrics compared to baselines. The benefits are most evident under severe domain shift, where it reduces low-frequency error by up to 32\% compared to standard fine-tuning while maintaining adaptability. Our code is available at https://github.com/ZhouChaunge/PhysGuard.

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14.
arXiv (CS.CL) 2026-06-17

From Observation to Intervention: A Causal Audit of Expert Importance in Mixture-of-Experts Models

作者:
Leonard Engmann↗Christian Medeiros Adriano↗Holger Giese↗

Interpretability methods routinely use population-level summary statistics over observed model behaviour to license claims about the effects of targeted interventions on specific computations; in Pearl's terms, they treat rung-1 associational evidence as if it supported rung-2 interventional conclusions, a move whose validity is rarely tested. We examine one concrete instance: the use of routing statistics in Mixture-of-Experts (MoE) pruning, where utilization rates, activation norms, and routing weight distributions are treated as predictors of which experts can be removed without functional cost. A token-level interventional audit across three high-redundancy MoE architectures (OLMoE-1B-7B-0924, Qwen1.5-MoE-A2.7B, DeepSeek-V2-Lite) finds no observational metric predicts causal expert importance in any model: across all 60 metric-layer combinations effect sizes stay below Cohen's $d = 0.23$, and no metric is reliably positive under our corrected, dual-test criterion. A per-token routing weight control, run with identical $n$, rules out insufficient power, recovering a signal whose CI excludes zero at OLMoE's final MoE layer ($d = +0.231$, 95\% CI $[+0.09, +0.37]$, $p = 0.0013$). Existing pruning methods succeed in this regime not by identifying dispensable experts but because early-layer redundancy renders most selection criteria interchangeable. Our results provide an explicit counterexample to the common inferential step from population-level observational summaries to token-level interventional claims about expert importance, and illustrate how interventional audits can calibrate the evidential standards for interpretability claims.

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

Neural quantum states for entanglement depth certification from randomized Pauli measurements

作者:
Marcin P{\l}odzie\'n↗

arXiv:2512.13121v2 Announce Type: replace Abstract: Entanglement depth quantifies how many qubits share genuine multipartite entanglement, but certification typically relies on tailored witnesses or full tomography, both of which scale poorly with system size. We recast entanglement-depth and non-$k$-separability certification as likelihood-based model selection among neural quantum states whose architecture enforces a chosen entanglement constraint. A hierarchy of separable neural quantum states is trained on finite-shot local Pauli outcomes and compared against an unconstrained reference model trained on the same data. When all constrained models are statistically disfavored, the data certify entanglement beyond the imposed limit directly from measurement statistics, without reconstructing the density matrix. We validate the method on simulated six- and ten-qubit datasets targeting GHZ, Dicke, and Bell-pair states, and demonstrate robustness for mixed states under local noise. Finally, we discuss lightweight interpretability diagnostics derived from trained parameters that expose coarse entanglement patterns and qubit groupings directly from bitstring statistics.

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

A Robust Strontium Tweezer Apparatus for Quantum Computing

作者:
Marijn Venderbosch↗Rik van Herk↗Zhichao Guo↗Jes\'us del Pozo Mellado↗Max Festenstein↗Deon Janse van Rensburg↗Ivo Knottnerus↗Yu Chih Tseng↗Alexander Urech↗Robert Spreeuw↗Florian Schreck↗Rianne Lous↗…

arXiv:2601.16564v2 Announce Type: replace-cross Abstract: Neutral atoms for quantum computing applications show promise in terms of scalability and connectivity. We demonstrate the realization of a versatile apparatus capable of stochastically loading a 5x5 array of optical tweezers with single $^{88}$Sr atoms featuring flexible magnetic field control and excellent optical access. A custom-designed oven, spin-flip Zeeman slower, and deflection stage produce a controlled flux of Sr directed to the science chamber. In the science chamber, featuring a vacuum pressure of $3 \times 10^{-11}$ mbar, the Sr is cooled using two laser cooling stages, resulting in $\sim 3 \times 10^5$ atoms at a temperature of 5(1) $\mu$K. The optical tweezers feature a $1/e^2$ waist of 0.81(2) $\mu$m, and loaded atoms can be imaged with a fidelity of $\sim 0.997$ and a survival probability of $0.99^{+0.01}_{-0.02}$. The atomic array presented here forms the core of a full-stack quantum computing processor targeted for quantum chemistry computational problems.

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

GeoWorld-VLM: Geometry from World Models for Vision-Language Models

作者:
Renjie Gu↗Kaichen Zhou↗Yan Luo↗Mengyu Wang↗

Modern Vision-Language Models (VLMs) achieve strong semantic recognition, yet remain brittle on elementary spatial relations such as left of, on, behind, and between. One cause of this failure arises before language reasoning begins: the visual pathway may compress or discard critical 3D structural cues during feature extraction, so the language model receives image representations that are already insufficient for reliable spatial judgment. We introduce GeoWorld-VLM, a VLM-side distillation framework that transfers geometric structure from frozen camera-conditioned video world models into VLMs. GeoWorld-VLM fine-tunes only the image encoder and multimodal projector, aligning post-projector image features with intermediate world-model representations while leaving the main backbone frozen. Given images, a prompt, and a sampled camera trajectory, the world-model teacher converts static visual input into a synthetic multi-view spatial signal. Training combines spatial answer supervision, teacher-student feature alignment, and a preservation anchor to the original VLM. Since the language model remains frozen, GeoWorld-VLM preserves the original model's linguistic capabilities while attributing spatial improvements to the enhanced visual pathway. To evaluate the effectiveness and generality of the proposed method, we apply GeoWorld-VLM to two distinct VLM architectures and observe consistent improvements across both backbones. GeoWorld-VLM improves performance by approximately 4 percent on both the What'sUp and VSR benchmarks, suggesting that world-model-guided visual alignment generalizes across model structures and spatial reasoning datasets.

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

The Illusion of Improvement: Reject Inference Strategies in Credit Scoring

作者:
Bruno Scarone↗Ricardo Baeza-Yates↗

arXiv:2606.18479v1 Announce Type: new Abstract: Reject inference methods are widely used to mitigate survival bias in credit scoring, yet their effectiveness remains poorly understood. We systematically evaluate several such methods and uncover a structural failure mode: in a natural retraining cycle, models whose accuracy improves while recall collapses create an illusion of improvement that leads practitioners to believe the system is getting better when, in fact, its rejection quality – the ability to correctly screen out defaulters – is deteriorating. We then propose a controlled exploration strategy that breaks the feedback loop without statistical assumptions: the lender deliberately approves a fraction of rejected applicants and observes their true outcomes. We show that accuracy and rejection quality give opposite recommendations on whether to explore: accuracy favors no exploration, while rejection quality improves with it, confirming that standard evaluation metrics are misleading under selection bias. Even minimal exploration rates (2–5\%) prove sufficient in our experiments to diagnose the severity of the feedback loop at near-zero cost. Our findings are consistent across two machine learning methods and three real-world datasets, and suggest that standard evaluation protocols are inadequate for assessing models trained under survival bias.

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

Symbolic Informalization: Fluent, Productive, Multilingual

作者:
Aarne Ranta↗

Symbolic informalization enables a reliable conversion of formal mathematics to natural language. It has the potential to make machine-checked content human-readable without loss of precision. In a traditional proof system usage, symbolic informalization generalizes the limited mechanisms of syntactic sugar into the ordinary language of mathematics. In a setting where proofs are constructed by artificial intelligence and autoformalization, symbolic informalization can explain what precisely has been constructed. This paper outlines the project Informath, which aims to show how symbolic informalization can produce fluent text with a reasonable development effort and address multiple formal and natural languages. Informath is based on an interlingual architecture, where Dedukti works as a hub between different proof systems (Agda, Lean, Rocq) and Grammatical Framework (GF) takes care of linguistic correctness and variation in different natural languages.

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20.
arXiv (CS.AI) 2026-06-17

LLM Consumer Behavior Theory: Foundations of a Novel Research Field

作者:
Manon Reusens↗Sofie Goethals↗David Martens↗

arXiv:2606.18005v1 Announce Type: new Abstract: Large language models (LLMs) are increasingly deployed as autonomous agents that make consumption decisions on behalf of users. This shift raises fundamental questions for consumer theory, which has traditionally modeled humans as the primary decision-makers. In this paper, we introduce LLM Consumer Behavior Theory, a new field of study concerned with analyzing consumer behavior in agentic markets. Drawing on classical and behavioral economics alongside recent advances in Natural Language Processing, we formalize how human preferences are reflected and acted upon by LLM-based agents, and how agent-level decisions aggregate into market demand. We unify previously fragmented literature on LLM decision-making, human behavior simulation, and preference elicitation under a common economic lens, highlighting where assumptions, such as rationality and heterogeneity, may fail in agentic markets. Rather than providing empirical validation, this paper outlines the scope of LLM consumer behavior and identifies open research questions related to alignment, preference representation, and market dynamics.

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21.
arXiv (CS.LG) 2026-06-19

MassSpecGym in the Wild: Uncovering and Correcting Evaluation Pitfalls in AI-Driven Molecule Discovery

作者:
Hongxuan Liu↗Roman Bushuiev↗Ivy Lightheart↗Mrunali Manjrekar↗Anton Bushuiev↗Magdalena Lederbauer↗Filip Jozefov↗Yinkai Wang↗Soha Hassoun↗Josef Sivic↗James Taylor↗Runzhong Wang↗…

arXiv:2606.19624v1 Announce Type: new Abstract: Reliable benchmarking is critical for developing machine learning models for tandem mass spectrometry (MS/MS) based molecule discovery. Subtle issues in experimental design and model evaluation procedures can degrade the trustworthiness of such benchmarks and lead to erroneous conclusions. We conduct a thorough review of model evaluation issues in the recent MS/MS machine learning literature, using the standard MassSpecGym benchmark suite as a case study to illustrate the impact of these issues. We find evaluation issues in at least 17 of 26 papers reporting MassSpecGym benchmark results in the first year of its adoption. We isolate three classes of failures: (i) data leakage, (ii) shortcut learning, and (iii) implementation bugs and metric divergence. Through extensive experimentation and code replication, we quantify the impact of these issues and show how they corrupt the evaluation standards MassSpecGym was designed to enforce. We distill our findings into recommendations generalizable to MS/MS challenges, benchmarks, and custom evaluation setups. We also release MassSpecGym v1.5, an implementation of our recommendations in the MassSpecGym benchmarking suite which addresses the failure modes identified in this audit. MassSpecGym v1.5 is publicly available at https://github.com/pluskal-lab/MassSpecGym.

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

Finite-Time Queue Peak Laws in Stochastic Networks: Logarithmic Scaling After Geometric Thresholds

作者:
Hao Liang↗Cheng Tang↗Yunzong Xu↗

arXiv:2606.18218v1 Announce Type: cross Abstract: We study finite-horizon queue peaks in generalized switches, a standard stochastic-network model in which many queues share constrained service resources. Arrivals may be dependent, time-varying, and adapted to the past; the standing load condition is uniform interior slack, meaning the conditional mean arrival vector stays in a fixed contraction of the capacity region. We show that this slack reshapes the finite-time peak law for drift-minimizing scheduling policies such as MaxWeight. The square-root envelope that is sharp without slack persists only up to a geometry-dependent threshold; beyond that threshold, the running maximum grows only logarithmically with the horizon, both with high probability and in expectation. The mechanism is self-normalization: in the current queue direction, the projected fluctuation scale is normalized by the stabilizing drift scale. This removes capacity geometry from the logarithmic coefficient, while geometry remains in the threshold. Matching lower bounds show that both the logarithmic term and a geometric threshold are unavoidable. When finite-time state-space collapse is available, the threshold can be sharpened using local bottleneck geometry. For generalized input-queued switches, we obtain finite-time peak bounds with tight logarithmic coefficients. Simulations illustrate the two-phase envelope, local geometric refinements, and variance-sensitive improvements predicted by the theory.

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23.
arXiv (quant-ph) 2026-06-12

Toward quantum-noise-limited interferometric measurements of optical nonlinearity in vacuum

作者:
Ali Aras↗Adrien E. Kraych↗Xavier Sarazin↗Elsa Baynard↗Fran\c{c}ois Couchot↗Moana Pittman↗

arXiv:2602.10896v2 Announce Type: replace-cross Abstract: Quantum Electrodynamics predicts that the vacuum must behave as a nonlinear optical medium: the vacuum optical index should increase when it is stressed by intense electromagnetic fields. The DeLLight (Deflection of Light by Light) project aims to measure it by using intense and ultra-short laser pulses. The experiment uses a Sagnac interferometer to amplify the tiny deflection signal of a low-intensity probe pulse crossing the vacuum refractive-index gradient produced by an external high-intensity pump pulse. The measurement of the amplified signal by a CCD camera requires a high spatial resolution, which is limited by the ultimate quantum noise of the CCD. However, interferometric phase noise induced by the mechanical vibrations of the interferometer is also amplified and degrades spatial resolution. To overcome this, we propose a new method named High-Frequency Phase Noise Suppression (HFPNS), based on the addition of a delayed replica (5 ns) of the probe pulse. The delayed pulse, which is not affected by the pump but is subject to the same vibration noise, enables offline subtraction of correlated phase noise. In this work, we present an experimental proof-of-concept on a prototype interferometer operating with a limited amplification factor ($\mathcal{A}\simeq25$), about 10 times smaller than the required value of the final experiment. We have succeeded in reducing phase noise by a factor of 40, resulting in a residual noise level 2.3 times higher than the expected quantum noise. The residual noise is linked to delay-line instabilities and incident beam pointing fluctuations present during these tests. This result validates HFPNS as a robust method for future quantum-noise-limited interferometric measurements of vacuum optical nonlinearity, though additional stabilization and higher interferometric amplification are still needed.

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24.
arXiv (quant-ph) 2026-06-16

Detecting basis-dependent hardware errors through spatio-temporal quantum steering

作者:
Hsiang-Wei Huang↗Kuo-Feng Chiu↗Yi-Te Huang↗Jhen-Dong Lin↗Tse-Ming Chen↗Yueh-Nan Chen↗

arXiv:2606.16451v1 Announce Type: new Abstract: Spatio-temporal quantum steering provides a framework for benchmarking the nonclassicality of general quantum state transfer processes. A central diagnostic is the no-signaling-in-time (NSIT) condition, whose violation can indicate basis-dependent hardware errors. However, finite measurement statistics may also yield apparent violations, thereby obscuring the detection of basis-dependent hardware errors. To address this, we construct a statistical hypothesis test under the null hypothesis that NSIT violations arise solely from statistical fluctuations. Combining the statistical properties of NSIT violation under the null hypothesis with Chebyshev's inequality, we obtain a distribution-free upper bound on the $p$-value without parametric assumptions. We apply this method to two examples. For a single-qubit state-transfer experiment on a superconducting processor, we observe several instances that the NSIT violation is observed and the null hypothesis is simultaneously rejected by a small $p$-value, providing statistical evidence of basis-dependent hardware errors. For a seven-qubit Hayden-Preskill teleportation protocol on IonQ devices, the null hypothesis is also rejected even when the average fidelity exceeds the classical threshold, while the associated nonclassicality measure vanishes. Our results highlight the necessity of statistical hypothesis testing for detecting basis-dependent errors in near-term quantum devices.

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25.
arXiv (quant-ph) 2026-06-19

Many-Body Protection of Topological Edge Memory in Strong Interacting Quenches

作者:
Yuxiao Hang↗Stephan Haas↗Rishabh Jha↗

arXiv:2606.19437v1 Announce Type: cross Abstract: Quantum quenches drive edge states far from equilibrium, yet whether the memory of a topological initial state survives in a non-integrable, interacting system has remained largely unexplored. We study this question in the bond-alternating XXZ chain – an interacting Su–Schrieffer–Heeger model hosting symmetry-protected topological edge modes with markedly enhanced boundary magnetization – and analyze quenches across all combinations of single-particle and many-body initial and final Hamiltonians. The results organize by a single distinction as we rigorously establish in this work: whether the post-quench Hamiltonian is free or genuinely interacting. For a free post-quench Hamiltonian, the dynamics is solved exactly by a correlation-matrix approach; the boundary-mode return amplitude decays as $t^{-3/2}$, and initial interactions enter only through a dressed one-body density matrix. For a genuinely interacting post-quench Hamiltonian, finite-time stability bounds prove that away from local resonances the first-dimer magnetization remains stable on time windows growing as arbitrarily large powers of the inverse inter-dimer coupling. Matrix product state simulations across all four protocols show that interactions in the final Hamiltonian markedly extend finite-time boundary memory – with local suppression near the isotropic $SU(2)$ point – revealing a many-body protection mechanism in a non-integrable system where scrambling would otherwise wash out initial-state memory fast.

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