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

Posterior Continuation with Noise-Conditioned Frequency Exposure for Diffusion Inverse Problems

Diffusion posterior sampling solves inverse problems by combining a pretrained diffusion prior with measurement-consistency guidance. However, full-band guidance can be unreliable at high noise levels, where clean estimates contain score-induced errors and high-frequency measurement directions are weakly identifiable. We argue that posterior guidance should expose measurement frequencies according to the instantaneous diffusion noise level. Based on this principle, we propose a posterior continuation framework that constructs a family of intermediate posteriors whose likelihood emphasizes currently reliable frequency bands and gradually returns to full-band consistency. We instantiate this framework with a stabilized sampler that combines a diffusion predictor, frequency-limited likelihood refinement, and a Haar-domain commitment rule that commits reliable coarse corrections while deferring weakly identifiable details. Across super-resolution, inpainting, and deblurring, our method achieves competitive-to-state-of-the-art restoration performance, including up to 5 dB PSNR improvement on motion deblurring over strong baselines in evaluations on FFHQ and ImageNet.

02.
arXiv (CS.CL) 2026-06-15

Simulating Students' Java Programming Errors with Large Language Models

Understanding student errors in the programming is a cornerstone of programming education, yet obtaining a representative set of student errors for any newly designed task remains slow and costly, since authentic submissions only accumulate after extensive classroom deployment. This paper explores whether large language models (LLMs) can serve as scalable proxies for students by simulating realistic logical errors in code submissions. Using the CodeWorkout dataset of 74,000+ unique student Java submissions across 37 problems, we evaluate five LLMs under three mainstream prompting strategies: Input-Output (IO), Chain-of-Thought (CoT), and iterative Self-Refine. We assess performance along two key dimensions: diversity (the range of distinct error patterns) and alignment (alignment with authentic student mistakes), and examine how these vary by struggling level of programming tasks. Our quantitative findings reveal that while all models generate diverse errors, their alignment to human submissions diverges: Claude Sonnet 4 achieves the most balanced performance. In addition, we conducted a blinded expert annotation study (N = 401) comparing synthetic and authentic errors. This qualitative analysis confirms that the generated errors are functionally indistinguishable from authentic student errors. Moreover, higher-struggling-level problems elicit more diverse but less student-like errors. These results highlight trade-offs in using LLMs to simulate human learners and suggest design considerations for integrating synthetic errors into teachable agents, intelligent tutoring systems, and large-scale learning analytics.

03.
medRxiv (Medicine) 2026-06-15

GLLaucoMed: A Secure LLM-Powered Agentic Workflow for Automated Medication Extraction from Free-Text Glaucoma Clinical Notes

Purpose: To evaluate the efficacy of large language models (LLMs) in extracting medication-related information from glaucoma clinical notes in the electronic health record (EHR). Design: Cross-sectional. Subjects: 1,250 subjects in the Bascom Palmer Ophthalmic Repository. Methods: Extracted clinical notes from glaucoma-related encounters between 2014 and 2024 were labeled by two glaucoma specialists with a third serving as an adjudicator. Graders were asked to label current topical medications (CTM), proposed changes to topical medications ({Delta}TM), current oral medications (COM), and proposed changes to oral medications ({Delta}OM) in a structured fashion. The dataset was split into development (10%), validation (10%), and test (80%) sets stratified by clinician. Development and validation sets were used to engineer and refine prompts, and the held-out test set was used for model assessment. Five LLMs (Claude Opus 4.6, DeepSeek-V3.2, GPT 5.2, Grok 4.1, and Qwen3.6-35B-A3B) were accessed via Microsoft Azure AI Foundry within a HIPAA-compliant environment. Inter-grader agreement was assessed with Gwet AC1. LLM performance was initially assessed in a binary fashion with F1 scores, and the degree of text match among positive cases was evaluated using exact match accuracy and Jaccard Index (JI). Main Outcome Measures: F1 score, exact match accuracy, JI. Results: Gwet AC1 for intergrader agreement was 0.799, 0.888, 0.985, and 0.988 for CTM, {Delta}TM, COM, and {Delta}OM, respectively. F1 scores for CTM were 0.985, 0.971, 0.978, 0.968, and 0.970 for Claude, Deepseek, GPT, Grok, and Qwen, respectively; for {Delta}TM: 0.905, 0.826, 0.897, 0.842, 0.855, respectively; for COM: 0.923, 0.887, 0.899, 0.906, 0.894, respectively; for {Delta}OM: 0.958, 0.815, 0.937, 0.835, 0.940, respectively. Among positive cases, range of exact match accuracies for CTM (N=1354) was 0.730- 0.882 and range of JIs was 0.809-0.918. For {Delta}TM (N=404), exact match accuracy range was 0.619-0.780 and JI range was 0.668-0.827. For COM (N=47), exact match accuracy range was 0.766-0.872 and JI range was 0.765-0.870. For {Delta}OM (N=25), exact match accuracy range was 0.583-0.920 and JI range was 0.583-0.922. Conclusions: The GLLaucoMed pipeline demonstrated high performance in extracting and standardizing medication data from unstructured clinical notes, including both current medications and proposed changes. Claude and GPT exhibited the strongest performance.

04.
arXiv (CS.CV) 2026-06-17

Robustness of Similarity-based Positional Encoding Under Rotations: Theoretical Analysis and Experimental Validation

Positional encoding is a fundamental component of Transformer architectures, as it injects information about the spatial or sequential arrangement of inputs. Among recent alternatives to standard absolute and sinusoidal encodings, similarity-based positional encoding (simPE) has emerged as a flexible framework for representing positional structure through pairwise relations. simPE was originally designed for medical imaging applications, where geometric robustness is especially relevant: small rotations naturally arise during image acquisition, induced by imaging instruments, patient positioning, or slight acquisition misalignments. Despite its empirical promise, the theoretical behavior of simPE under geometric perturbations has not been fully characterized. In this paper, we study the robustness of simPE with respect to rotations, combining formal theoretical analysis with experimental validation. We first show that simPE is generally not rotation-invariant. We then prove that, under mild Lipschitz assumptions on the elementary components, simPE is stable under rotational perturbations and derive explicit perturbation bounds in Frobenius norm. We validate these findings experimentally on four controlled datasets–a synthetic Arrow dataset, a synthetic Shapes dataset (four geometric shape categories), a synthetic Digits dataset, and a benchmark image classification dataset (FashionMNIST)–in which training and validation images are kept in a fixed canonical orientation while test images are subjected to increasing rotation angles. Across all datasets, simPE consistently outperforms standard learned positional encoding in terms of accuracy, F1 score, precision, and recall under rotation, particularly in the small-to-moderate angle regime, corroborating the theoretical stability guarantees.

05.
arXiv (CS.CL) 2026-06-16

Distilling Examples into Task Instructions: Enhanced In-Context Learning for Real-World B2B Conversations

In-context learning (ICL) is the standard method for low-resource classification, yet its efficacy in specialized domains remains largely unexplored. We address the challenge of classifying semantically complex, multi-party B2B conversations, where traditional ICL encounters significant limitations, especially as context length increases due to the concatenation of multiple few-shot examples. We introduce the \texttt{Call Playbook} dataset, featuring five classification tasks derived from real-world B2B conversations targeting core sales concepts. To bridge the gap between performance and practical utility, we propose novel knowledge extraction methods that distill verbose examples into compact, interpretable representations of structured classification criteria and precise task descriptions. Our approach achieves a 99\% reduction in token usage and improves macro-averaged AUC by up to 7\% over traditional ICL. Notably, it remains robust as context grows, unlike advanced token compression baselines which degrade by over 9 F1 points. Importantly, our framework enables direct refinement of classification logic, addressing critical needs for transparency, efficiency, and user interaction in real-world NLP applications.

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

Balanced affine Motzkin paths: Pearson geometry and global endpoint asymptotics

arXiv:2601.17634v2 Announce Type: replace Abstract: We study endpoint distributions of balanced affine weighted Motzkin paths. In the balanced case, the generating-function equation has Pearson-type characteristic geometry. We show that this geometry controls the terminal-height law globally: the characteristic escape time determines the limiting cumulant generating function, the large-deviation rate function, and the ray-scale asymptotics. Thus the usual Gaussian window is only the local quadratic approximation to a global Pearson-driven profile. For finite sizes, we prove a uniform Daniels saddlepoint approximation in the one-dominant-singularity regimes and identify the exceptional antipodal case requiring a lattice/interference correction.

07.
arXiv (CS.CL) 2026-06-11

SoftMatcha 2: A Fast and Soft Pattern Matcher for Trillion-Scale Corpora

We present SoftMatcha 2, an ultra-fast and flexible search algorithm that enables search over trillion-scale natural language corpora in under 0.3 seconds while allowing semantic variations in the form of substitution, insertion, and deletion. Our approach employs string matching based on suffix arrays that scales well with corpus size, and represents words as vectors, which underpin its semantic flexibility. To mitigate the combinatorial explosion induced by the semantic relaxation of queries, our method is built on two key algorithmic ideas: dynamic corpus-aware pruning and fast exact lookup enabled by a disk-aware design. We theoretically analyze the efficiency of the proposed method, indicating that it can mitigate exponential growth in the search space. Empirically, on FineWeb-Edu (Lozhkov et al., 2024) (1.4T tokens), it attains substantially lower search latency than existing methods: infini-gram (Liu et al., 2024), infini-gram mini (Xu et al., 2025), and SoftMatcha (Deguchi et al., 2025). As a practical application, our method uncovers benchmark contamination in training corpora that existing approaches miss, and it also benefits information retrieval and paraphrase detection. We also provide an online demo of fast, soft search across corpora in seven languages.

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

Quantile of Means: A Bonus-Free Ensemble Method for Minimax Optimal Reinforcement Learning

arXiv:2606.20107v1 Announce Type: new Abstract: Optimal Reinforcement Learning (RL) algorithms typically rely on carefully constructed count-based uncertainty estimates to drive exploration. Although theoretically sound, such estimates are hard to compute in practical settings and therefore offer limited insight for designing exploration heuristics. Meanwhile, ensembling has emerged as a practical approach, but remains without theoretical justification. Building on a recent ensemble-based method for Multi-Armed Bandits, we propose a quantile-based ensemble method for finite-horizon Markov Decision Processes (MDPs). Our simple count-free approach achieves optimal variance-dependent regret bounds, providing theoretical grounding for ensemble-based exploration in RL.

09.
arXiv (math.PR) 2026-06-11

Asymptotic analysis of the finite predictor for fractional Gaussian noise

arXiv:2504.01562v2 Announce Type: replace-cross Abstract: This paper proposes a new approach to the asymptotic analysis of the finite predictor for stationary sequences. Our method yields the exact asymptotics of both the relative prediction error and the partial correlation coefficients. The underlying assumptions are analytic in nature, making the approach applicable to processes with long-range dependence. The ARMA-type process driven by fractional Gaussian noise (fGn), which had previously remained elusive, is used as a case study.

10.
arXiv (CS.AI) 2026-06-19

FundaPod: A Multi-Persona Agent Pod Platform with Knowledge Graph Memory for AI-Assisted Fundamental Investment Research

arXiv:2605.27864v4 Announce Type: replace Abstract: Large language models (LLMs) are increasingly applied in finance, yet most existing work emphasizes trading signals or financial NLP tasks centered on prediction. Institutional fundamental research, by contrast, requires human analysts or AI agents to gather evidence, identify business drivers, compare competing viewpoints, and generate investment memos. Its broader goal is not merely to predict outcomes, but to produce investment plans that are transparent, reusable, and verifiable, while contributing to the cumulative development of investment knowledge. We present FundaPod, a multi-persona agent platform for AI-assisted fundamental investment research. We argue that fundamental research is a human-centric decision-support task that is qualitatively distinct from trading-signal generation, and is therefore better served by an independence-preserving architecture. In FundaPod, AI agents with different personas, such as value investors or macro strategists, conduct research independently under a shared provenance contract. Their disagreements are then surfaced post hoc for adjudication by the human portfolio manager (PM) through a knowledge-graph memory system. This paper contributes five design principles for human-AI hybrid systems supporting fundamental research, grounded in design-science practice and theories of cognitive isolation and human-machine coordination. It also describes four architectural mechanisms: a persona distillation pipeline that turns public investor materials into deployable agents; a declarative skill registry that lets the planner derive typed task graphs; a grounded evidence model that links memo claims to verifiable sources; and a knowledge-graph "second brain" that connects tickers, memos, analysts, and themes. We demonstrate the architecture through a complete case study and a persona-based memo comparison.

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

CSPO: Constraint-Sensitive Policy Optimization for Safe Reinforcement Learning

arXiv:2606.14415v1 Announce Type: new Abstract: Safe reinforcement learning (Safe RL) aims to maximize expected return while satisfying safety constraints, typically modeled as Constrained Markov Decision Processes (CMDPs). While primal-dual methods scale well to deep RL, they often suffer from delayed constraint correction, leading to oscillatory behavior and prolonged safety violations. In this paper, we propose Constraint-Sensitive Policy Optimization (CSPO), a first-order primal-dual method that incorporates local constraint sensitivity into policy updates. CSPO augments the primal objective with a constraint-sensitive correction derived from the shortest signed distance to the safety boundary, enabling smarter recovery steps back to safety, compensating for delayed Lagrange multiplier updates, reducing oscillations near the boundary, and preserving the KKT solutions of the original constrained problem. Experiments on navigation and locomotion benchmarks demonstrate that CSPO achieves faster safety recovery and high reward preservation, resulting in higher constrained returns compared to state-of-the-art primal-dual and penalty-based methods

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

Iterative Visual Thinking: Teaching Vision-Language Models Spatial Self-Correction through Visual Feedback

Vision-language models (VLMs) achieve strong singleshot spatial grounding, yet lack any mechanism to observe and correct their own predictions. We find that naively prompting a VLM to iterate over rendered visualizations of its predictions causes catastrophic failure: Acc@0.5 on referring expression comprehension collapses from 79.6% to 48.7% (a 31 percentage point drop), revealing a fundamental gap between grounding capability and self-correction ability. We propose Iterative Visual Thinking (IVT), a closed-loop framework in which the model predicts a bounding box, observes the prediction rendered on the image, and iteratively refines through visual feedback. A two-phase training recipe closes the self-correction gap: first, we exploit the base model's own predictions as realistic errors and prompt a teacher VLM to generate corrective reasoning traces, yielding supervised data without human annotation; second, we apply Group Relative Policy Optimization (GRPO) with a simple IoU reward to stabilize multi-step refinement. On a mixed benchmark spanning RefCOCOg, Ref-Adv, and Ref-L4 (505 test samples), SFT warm-up with IVT surpasses the single-shot base model on every metric: Acc@0.5 rises to 82.0% (+2.4pp), Acc@0.7 to 74.1% (+3.2pp), and Acc@0.9 to 48.3% (+2.8pp). GRPO further reduces per-step IoU degradation by 5x, stabilizing the refinement trajectory. All training uses only 2,400 samples on a single GPU, demonstrating that spatial self-correction is a learnable capability that can be instilled at modest scale.

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

ZeroSyl: Simple Zero-Resource Syllable Tokenization for Spoken Language Modeling

Pure speech language models aim to learn language directly from raw audio without textual resources. A key challenge is that discrete tokens from self-supervised speech encoders result in excessively long sequences, motivating recent work on syllable-like units. However, methods like Sylber and SyllableLM rely on intricate multi-stage training pipelines. We propose ZeroSyl, a simple training-free method to extract syllable boundaries and embeddings directly from a frozen WavLM model. Using L2 norms of features in WavLM's intermediate layers, ZeroSyl achieves competitive syllable segmentation performance. The resulting segments are mean-pooled, discretized using K-means, and used to train a language model. ZeroSyl outperforms prior syllabic tokenizers across lexical, syntactic, and narrative benchmarks. Scaling experiments show that while finer-grained units are beneficial for lexical tasks, our discovered syllabic units exhibit better scaling behavior for syntactic modeling.

14.
arXiv (CS.AI) 2026-06-16

Critically Engaged Pragmatism: Scientific Norm and Social, Pragmatist Epistemology for AI Science Evaluation Tools

Authors:

arXiv:2601.09753v2 Announce Type: replace-cross Abstract: AI science evaluation tools aim to assess research credibility. As with traditional metrics such as impact factors, their edicts can be decontextualised and repurposed in problematic ways. To address this, I propose Critically-Engaged Pragmatism as a scientific norm enjoining scientific communities to scrutinise the purposes and purpose-specific reliability of AI science evaluation tools. To foster Critically Engaged Pragmatism, creators of AI science evaluation tools should transparently and fully report design, training, and benchmarking details to facilitate assessments of purpose-specific reliability, liability to different types of error, and bias. What count as best practices for the transparent reporting of AI science evaluation tools should be updated as new forms of error, bias, and gamesmanship are discovered. Under this framework, AI science evaluation tools are not objective arbiters of scientific credibility. Rather, they are the object of critical discursive practices that ultimately ground the credibility of scientific communities.

15.
arXiv (quant-ph) 2026-06-19

Quantum models with the Yang-Lee phase transition

arXiv:2606.19732v1 Announce Type: cross Abstract: In this article, we present four different $1+1$D quantum models that realize the Yang-Lee (YL) phase transition under a deformation that preserves $PT$ symmetry. These are the antiferromagnetic Ising spin chain in transverse and longitudinal magnetic fields, the massive Schwinger model, the Blume-Capel model, and the three-state quantum clock model. Using the state-operator correspondence, we identify the YL critical point, compute the scaling dimensions of the lowest operators in each model, and find perfect agreement with the exact results for the YL criticality in two dimensions. Using bosonization for the Schwinger model and the Polyakov-Hubbard transformation for the other models, we show that in all of these quantum models the YL critical point is described, as expected, by a massless bosonic field with an $i \phi^3$ interaction. In the quantum clock model, this critical field interacts with a massive bosonic field, and we identify the massless and massive states in the Hamiltonian spectrum. In addition, we numerically compute the two-point function of $\phi$ at the Yang-Lee critical point and show that it grows with distance, in agreement with theoretical expectations.

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

A Privacy-Preserving Framework Using Remote Data Science for Inter-Institutional Student Retention Prediction

arXiv:2606.12845v1 Announce Type: cross Abstract: This study explores privacy-preserving machine learning (PPML) techniques using the PySyft platform to enable collaborative prediction of student retention between institutions. We developed a remote data science (RDS) framework with a semi-air-gapped architecture consisting of high-side and low-side servers, allowing researchers from three universities to build predictive models on sensitive student data without direct data access. Using historical data from a small private university (N=720), we evaluated three synthetic data generation approaches and validated the framework through inter-institutional collaboration. The results demonstrate consistent classification performance across institutions (Macro F1: 0.690–0.695) while maintaining strict Family Educational Rights and Privacy Act (FERPA) compliance. We also propose Data-Type-Aware Templates, a novel synthetic data method that prioritizes privacy over distributional fidelity. Our findings confirm that RDS-based PPML is technically feasible for educational settings and offers a practical alternative to federated learning for small-scale inter-institutional collaborations. The code is available at https://github.com/jtfields/NAIRR240195-Privacy-Preserving-Machine-Learning.

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

Towards Understanding and Measuring COGNITIVE ATROPHY in LLM Behaviour

arXiv:2606.18129v1 Announce Type: cross Abstract: Recent incidents involving LLMs used for mental-health support reveal a critical evaluation gap: surface-level safety scores do not capture how models behave across realistic, emotionally sensitive interactions over time. Existing benchmarks measure knowledge, safety, or static response quality, but miss whether LLM interactions help users keep reflecting, coping, and making decisions themselves. We formalize this missing dimension as COGNITIVE ATROPHY, a process-level behavioural measure in AI-mediated mental-health support distinct from safety and helpfulness. To measure it, we introduce COGNITIVE ATROPHY BENCH, a clinically grounded benchmark built from 1,576 fully human-generated counseling conversations, 15,680 turns, and 42,230 responses from five LLMs. Three clinical and neuropsychology experts developed a 20-attribute schema spanning user context, response behaviour, and global risk flags; six trained clinical reviewers applied it with span-grounded evidence, producing 5,324 reviewer judgments. We further introduce the User-Input Risk Index (UIRI), the Cognitive Atrophy Risk Index (ARI), and trajectory summaries. Across five LLMs, models show a consistent moderate-to-high level of atrophy-aligned behaviour across single and multi-turn settings. While models generally respond to overt safety cues, they adapt less reliably when users seek solutions or decisions. The dominant recurring patterns are directive advice, problem-solving, recommendation responses, topic shifts, and forms of validation that may reinforce dependence rather than reflection. Our work makes COGNITIVE ATROPHY measurable and provides a foundation for auditing model behaviour in sensitive LLM conversations.

18.
arXiv (math.PR) 2026-06-16

Delayed acceptance sampling with Hamiltonian proposal subchains for random field materials inference

arXiv:2606.14743v1 Announce Type: cross Abstract: This paper focuses on accelerating Markov chain Monte Carlo sampling in Bayesian inverse problems in which forward model evaluations dominate the computational cost. It builds on several established ingredients previously used in related scenarios: delayed acceptance, neural network surrogate models, Hamiltonian proposals, and proposal subchains. The main framework is the delayed-acceptance Metropolis-Hastings algorithm of Christen and Fox (2005). The first-stage proposal distribution is constructed from a subchain of Hamiltonian trajectories targeting the surrogate posterior. For each fixed surrogate model, the Hamiltonian subchain and delayed-acceptance correction define a kernel invariant with respect to the exact posterior. In the present work, the surrogate is updated only during a burn-in phase, after which the production run uses a fixed surrogate model. The sampling framework is implemented in Python using parallel processes. Several chains are generated in parallel and share a single surrogate model trained during burn-in on all collected data. The forward model is treated as a black box; therefore, the application area is broad. However, the main motivation is efficient solution of geotechnical inverse problems with material properties represented by Gaussian random fields. In this study, the sampling framework is applied to a geotechnical inverse problem in which hydraulic conductivity and porosity are modeled as non-stationary Gaussian random fields approximated using truncated Karhunen-Loeve expansions. Based on a precomputation, the truncation dimensions are chosen separately for hydraulic conductivity and porosity. The forward model outputs are pore pressure values at control points and selected observation times. These are compared with in situ pore pressure measurements collected over one year during the Tunnel Sealing Experiment in an underground laboratory in Canada.

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

SciText2Eq: Assessing LLMs for Explainable Equation Generation for Scientific Creativity

arXiv:2606.16003v1 Announce Type: new Abstract: This work investigates the ability of large language models (LLMs) to generate mathematical equations from scientific texts. Prior work faces challenges in unstructured grounding, multi-equation dependency, and humanaligned evaluation. To this end, we construct a dataset of AI research papers, pairing contextual passages with ground-truth equations and variable descriptions. We develop an explainable equation generation workflow and evaluate it across diverse open- and closed-source LLM backbones. We introduce an evaluation protocol combining automatic metrics, LLM-based rubrics, and human judgments to assess accuracy, explainability, and human-LLM alignment. Results indicate that LLMs perform moderately on lexical- and syntactic-based similarity, while struggling with semantic accuracy. Comparisons between LLM-based evaluations and human judgments reveal limited alignment, highlighting challenges in using LLMs to assess equation quality. These findings offer insights for improving equation generation models and developing more reliable evaluation methods for scientific text. We provide code and data for reproducibility.

20.
PLOS Medicine 2026-06-01

The NIH 2025 Public Access Policy: Immediate access, unequal costs

by Caitlin R. Ryus, Caroline Raymond King, Edward R. Melnick The NIH 2025 Public Access Policy eliminates embargo periods for federally funded research, expanding who can read science. Yet without addressing article processing charges and market concentration, the policy risks creating new barriers to who can afford to perform and publish their science. In this Perspective, Caitlin Ryus and colleagues discuss the NIH 2025 Public Access Policy, highlighting that while expanding who can read science, the policy risks creating new barriers to who can afford to perform and publish their science.

21.
arXiv (quant-ph) 2026-06-17

Quantum statistical functions

Authors:

arXiv:2602.05821v2 Announce Type: replace Abstract: Statistical functions such as the moment-generating, characteristic, cumulant-generating, and second characteristic functions are standard tools in classical statistics and probability theory. They provide a systematic means to analyze the statistical properties of a system and find applications in diverse fields. While these functions are ubiquitous in classical theory, a quantum counterpart has remained underdeveloped because of the noncommutativity of operators. The absence of such a framework has obscured the connections between statistical quantities and the nonclassical features of quantum mechanics. Here, we construct a framework for quantum statistical functions that addresses these limitations and unifies the languages of quantum statistics. We show that the functions reproduce standard statistical quantities such as expectation values, variance, and covariance upon differentiation. By extending the framework to include pre- and post-selection, we define conditional functions that generate conditional statistical quantities, including the weak value and the weak variance. We further show that multivariable functions, defined with specific operator orderings, correspond to the Kirkwood–Dirac, Margenau–Hill, and Wigner distributions. By generalizing Bochner's theorem within the theory of compactly supported distributions, we obtain a criterion that separates classical statistics from quantum statistics, linking the failure of positive definiteness of the multivariable function to the emergence of quasiprobability. As an application, we import the classical method of moments and generalized method of moments into quantum estimation, introducing quantum estimators that exploit the proposed functions. Our framework reproduces quantum statistical quantities and incorporates the nonclassical features of quasiprobability, providing a basis for further study of quantum statistics.

22.
arXiv (quant-ph) 2026-06-19

Sparse Configuration Interaction for the Electronic Schrödinger Equation Revisited: Complete Basis Set Limit Complexity and Quantum-Encoding Impact

arXiv:2606.20385v1 Announce Type: new Abstract: In this article we revisit regularity results for eigenfunctions in the discrete spectrum of the electronic Schrödinger equation and study their consequences for approximation complexity. In particular, for the convergence to the complete basis set limit, it can be shown that the curse of dimensionality in the leading algebraic exponent can be mitigated. That is, for general sparse grid constructions, the main term of the convergence rate with respect to the number of degrees of freedom is independent of the number of electrons. These insights indicate potential benefits for classical numerical solvers of the electronic Schrödinger equation and also for quantum-computing approaches through new qubit-efficient wavefunction encodings.

23.
arXiv (CS.LG) 2026-06-12

Where Computation Lives Inside TabPFN: Causal Localisation of Attention Head Function

arXiv:2606.12917v1 Announce Type: new Abstract: We present the first causal mechanistic analysis of a tabular foundation model, investigating how TabPFN 2.5's feature wise attention heads distribute computation across layers. Using activation patching, ablation, and attention entropy across two synthetic regression datasets, we find clear temporal specialisation: one head's causal necessity dominates that of the others by 2 to 5 times at peak layer, with its dominant layer shifting across tasks of different complexity, while the remaining heads exhibit symmetric late layer profiles. Attention entropy and patching provide convergent evidence for the computationally active layers of the dominant head. We additionally investigate inference time steerability via contrastive activation steering, which fails to transfer across samples. We attribute this result to TabPFN's in context learning mechanism, which encodes task structure through context dependent attention rather than the stable parametric directions that make steering tractable in language models.

24.
arXiv (quant-ph) 2026-06-15

Correction scheme for molecular total energies from quantum phase estimation under limited qubit resources

arXiv:2603.02715v2 Announce Type: replace Abstract: We propose a practical method for accurately evaluating molecular total energies using a hybrid approach that integrates fault-tolerant quantum computers with classical computing. Our scheme consists of two complementary components: quantum dominant orbital selection (QDOS) and subspace dynamical correlation (SDC). QDOS extracts only the essential active orbitals from the complete active space (CAS) configuration interaction (CI) state on a quantum computer, yielding a compact active space suitable for classical CASCI calculations. SDC then evaluates dynamical-correlation corrections for the CASCI energy using this compact state, which remains tractable on classical machines. To demonstrate that the CAS energy obtained on a quantum computer can be post-corrected by SDC, we examine two frameworks: multireference perturbation theory and tailored coupled-cluster theory. Our scheme enables effective treatment of relatively large molecular systems by combining limited quantum and classical resources.

25.
arXiv (CS.LG) 2026-06-18

Acceleration of an algebraic multigrid pressure solver using graph neural networks

arXiv:2606.19251v1 Announce Type: cross Abstract: Solving the pressure-Poisson equation remains the primary computational bottleneck in incompressible unstructured flow solvers primarily due to the inherent sensitivity of traditional linear solvers to mesh irregularities. This work introduces a data-driven algebraic multigrid (AMG) smoother that uses a modified graph convolutional isomorphism network (GCIN). The graph neural network predicts optimal polynomial coefficients to construct a sparse pseudo-inverse operator across diverse grid topologies. The coefficients are optimized to reduce the residual after each V-cycle iteration. By directly capturing the algebraic structure of the system from the sparse coefficient matrix, the proposed method maintains the solver's linearity while adapting to local anisotropies in unstructured grids. Our framework demonstrates significant performance gains by reducing the number of V-cycles required for a given tolerance and delivering wall-clock speedups from 4% to 37% across diverse benchmarks. Notably, the model exhibits robust generalization by maintaining efficiency on meshes up to 128 times larger than those seen in training, and by accelerating the solver's convergence on unseen industry-relevant problems such as the AirfRANS dataset.