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01.
arXiv (CS.AI) 2026-06-12

SAIGuard: Communication-State Simulation for Proactive Defense of LLM Multi-Agent Systems

arXiv:2606.12474v1 Announce Type: cross Abstract: LLM-based multi-agent systems (MAS) solve complex tasks through inter-agent collaboration, but their communication-driven nature also allows security risks to spread across agents and trigger system-wide failures. Existing MAS defenses mainly follow a reactive paradigm after execution by detecting and isolating harmful agents, which may cause irreversible damage and degrade collaborative utility. To address this, we propose a proactive defense framework for MAS security, namely a Simulation-aware Interception Guard (SAIGuard). SAIGuard performs communication-state simulation over the MAS interaction graph, estimates the impact of incoming messages on local agent states and the global MAS state, and detects risky messages via reconstruction deviations from benign communication patterns. Instead of isolating agents, SAIGuard sanitizes or regenerates suspicious messages before it propagation into system. Experiments across diverse topologies and attack scenarios show that SAIGuard reduces attack success rates while maintaining MAS utility, outperforming reactive defenses.

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

TokaMark: A Comprehensive Benchmark for MAST Tokamak Plasma Models

arXiv:2602.10132v3 Announce Type: replace-cross Abstract: Development and operation of commercially viable fusion energy reactors such as tokamaks require accurate predictions of plasma dynamics from sparse, noisy, and incomplete sensors readings. The complexity of the underlying physics and the heterogeneity of experimental data pose formidable challenges for conventional numerical methods, and highlight the promise of modern data-native approaches. A major obstacle in realizing this potential is, however, the lack of curated, openly available datasets and standardized benchmarks. Existing fusion datasets are scarce, fragmented across institutions, facility-specific, and inconsistently annotated, which limits reproducibility and prevents a fair and scalable comparison of AI approaches. In this paper, we introduce TokaMark, a structured benchmark to evaluate AI models on real experimental data collected from the Mega Ampere Spherical Tokamak (MAST). TokaMark provides a comprehensive suite of tools designed to unify access to multi-modal fusion data and standardize evaluation protocols. The benchmark includes a curated list of 14 tasks spanning a range of physical mechanisms, exploiting a variety of diagnostics and covering multiple operational use cases. A baseline model is provided to facilitate transparent comparison and validation within a unified framework. By establishing a unified benchmark, TokaMark aims to accelerate progress in data-driven AI-based plasma modeling, contributing to the broader goal of achieving sustainable and stable fusion energy. The dataset, benchmark, documentation, and tooling are open-sourced under https://github.com/UKAEA-IBM-STFC-Fusion-FMs/tokamark_baseline.

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

SGFormer++: Semantic Graph Transformer for Incremental 3D Scene Graph Generation

In this paper, we propose SGFormer++, a novel Semantic Graph Transformer for 3D scene graph generation (SGG), which aims to parse point cloud scenes into semantic structural graphs, where nodes denote detected object instances and edges encode their pairwise relationships, with the core challenge lying in modeling complex global scene structure. While existing graph convolutional network (GCN)-based methods suffer from over-smoothing and limited receptive fields, SGFormer++ leverages Transformer layers as its backbone to enable global message passing. Specifically, we introduce two key components tailored for 3D SGG: (1) a Graph Embedding Layer++ that efficiently integrates edge-aware global context with linear computational complexity, and (2) a Semantic Injection Layer++ that enriches visual features with linguistic priors from large language models (LLMs) and vision-language models (VLMs), boosting semantic representation without introducing extra trainable parameters. To further address the practical challenge of incremental SGG (I-SGG), where new relationship categories arrive sequentially, we equip SGFormer++ with a novel Spatial-guided Feature Adapter, which calibrates predicate features using subject-object spatial geometry to counter scale variation, and a Cascaded Binary Prediction Head that mitigates catastrophic forgetting via task-incremental classifier expansion and logit distillation. Extensive experiments on the 3DSSG benchmark demonstrate that SGFormer++ achieves state-of-the-art performance in both standard and incremental settings: it yields a significant 4.49% absolute improvement in Predicate A@1 under the incremental setting. Code and data are available at: https://github.com/Andy20178/SGFormer.

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

Noise-Driven Escape from Metastable Phases explains Grokking in Deep Neural Networks

arXiv:2606.17120v1 Announce Type: new Abstract: Deep neural networks (DNNs) exhibit first order phase transitions under variations of the L2 regularization strength, with each transition marking the onset of a new learnable feature. Below a critical regularization strength, all features are in principle learnable, but coexisting metastable states, separated by energy barriers, can trap the network and impede convergence. A strength of DNNs is their ability to generalize. But many open questions remain, among them the origin of so called grokking: the abrupt, delayed onset of generalization after prolonged apparent overfitting. We show for linear DNNs that grokking is consistent with hysteresis in first-order L2 phase transitions: using L2 regularization to engineer deliberate trapping, we demonstrate that a model in a low-accuracy metastable state escapes only when SGD noise drives it across an energy barrier, with escape times following Arrhenius scaling. We reproduce grokking-like delayed convergence across two orders of magnitude in escape time by deliberately trapping models in metastable phases. Using sparse sub-sampling we also reproduce the canonical grokking curve where test error eventually approaches the final training error. Our work suggests that the number of metastable states equals the number of learnable features – one per singular value of the data covariance – the potential for hysteresis grows naturally with task complexity. We provide evidence that the same mechanism likely operates in general nonlinear DNNs. Our results provide routes toward more efficient learning schemes.

05.
medRxiv (Medicine) 2026-06-22

Association of Digoxin Use at Norwood Discharge with Fontan Completion: A Study from the Pediatric Heart Network Public Dataset

Background: Digoxin use after the Norwood procedure has been associated with improved interstage survival in hypoplastic left heart syndrome and related conditions. Whether this benefit translates into improved longer-term outcomes through staged palliation remains unknown. We aimed to determine the association of digoxin use at Norwood discharge with transplant-free survival and Fontan completion. Methods: We conducted a retrospective cohort study using the Pediatric Heart Network (PHN) Single Ventricle Reconstruction trial public dataset, including 549 infants enrolled at 15 North American centers between 2005 and 2008. Competing risk analysis was used to evaluate Fontan completion and Cox regression to assess death or transplantation within 6 years after the Norwood procedure. Mixed-effects models compared pre-Fontan hemodynamic and echocardiographic right ventricular indices between patients treated with and without digoxin after accounting for center clustering and adjustment for sex, shunt type, heart failure medications at Norwood discharge, and census block poverty level. Results: The 6-year cumulative incidence of Fontan completion was higher among patients discharged on digoxin than among those not receiving digoxin (82% vs 71%; p = 0.013). Competing-risk analysis accounting for death and transplant demonstrated a greater likelihood of Fontan completion among digoxin users (aHR 1.31; 95%CI 1.09-1.58; p = 0.005), without significant difference in the hazard of death or transplant (aHR 0.78; 95%CI 0.53-1.15; p = 0.208). No significant differences in pre-Fontan hemodynamic or echocardiographic indices were observed between groups. Initiation of digoxin post Stage II procedure was not associated with improved survival or likelihood to complete Fontan. Conclusion: Digoxin use at the time of Norwood discharge was associated with a 30% greater likelihood of Fontan completion by 6 years, without accompanying improvement in transplant-free survival. These findings extend prior observations of improved interstage outcomes associated with digoxin use and suggest that treatment may facilitate progression through staged palliation.

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

Fun with Graph States: Nonlocal Bell Pairs and the Arf Invariant

arXiv:2606.06582v2 Announce Type: replace Abstract: We study inner products and partial amplitudes of graph states–a commonly employed class of quantum states, which are specified by graphs. We find that the magnitudes of these quantities are simply related to the rank of the adjacency matrix of the graph over F_2 while the phase is determined by the Arf invariant of its quadratic refinement. These facts motivate a nonlocal tensor factorization of the Hilbert space, with respect to which all graph states are products of Bell pairs with unentangled ancillae. These results may illuminate the quantum advantage in the framework of Measurement-Based Quantum Computation and suggest that graph states can be usefully visualized in the language of algebraic topology. In addition, we develop a specialized technique for computing expectation values of qubit-wise permutations in graph states, which is useful for calculating multi-invariants.

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

MegaFold: Efficient Training of Next-Generation 3D Attention Protein Models on Cross-Platform GPUs

arXiv:2506.20686v2 Announce Type: replace-cross Abstract: Recent advances in biomolecular modeling have been catalyzed by models such as AlphaFold3 (AF3), which introduce science-informed changes to the transformer architecture. Unlike transformers, a defining characteristic of AF3-style models is their 3D attention over 2D pairwise representations which produces tensors whose computation and memory costs scale cubically with sequence length. As a result, despite moderate parameter counts, AF3-style models are far more expensive to train than size-equivalent transformers, and are severely constrained by GPU memory capacity. Our characterization shows 3D attention fundamentally changes the training workload, causing massive 3D attention maps, complex inter-operator dependencies, kernel fragmentation, and heavy host-side data pipelines which differ substantially from LLM training, leading to poor utilization on modern GPU systems. Moreover, existing GPU optimizations do not adequately address these challenges due to complex cross-layer inter-operator dependencies introduced by 3D attention. Motivated by these challenges, we introduce MegaFold, a novel cross-platform system for efficient training of next-generation 3D-attention protein models. MegaFold combines a memory-efficient 3D-attention kernel, a communication-efficient sharding strategy for quadratic representations, fused operator implementations for critical execution paths, and a determinism-aware host-device pipeline that eliminates preprocessing stalls. Evaluation on both NVIDIA H200 and AMD MI250 GPUs shows that MegaFold enables training with up to 3.36$\times$ longer sequence lengths on 32 GPUs while reducing end-to-end execution time by up to 1.73$\times$ (NVIDIA) and 1.62$\times$ (AMD).

08.
arXiv (CS.AI) 2026-06-16

GAS-Leak-LLM: Genetic Algorithm-Based Suffix Optimization for Black-Box LLM Jailbreaking

arXiv:2606.15788v1 Announce Type: cross Abstract: Large Language Models (LLMs) constitute pivotal components within the AI-dominated information technology ecosystem. To mitigate risks associated with harmful or policy-violating outputs, commercial systems employ advanced alignment strategies and multi-layered content moderation mechanisms. Despite these safeguards, recent research has demonstrated that LLMs remain vulnerable to adversarial manipulation, particularly through jailbreaking and prompt injection techniques. In this work, we propose GAS-Leak-LLM a novel jailbreaking attack based on a genetic algorithm that systematically evolves adversarial suffix to bypass safety constraints. Operating in a strict black-box setting, our method requires no access to model parameters or internals, thereby reflecting realistic threat scenarios in deployed systems. Through the iterative application of selection, mutation, and crossover heuristics, the framework systematically explores the discrete prompt space to identify high-fitness adversarial suffixes. Empirical findings reveal critical shortcomings in existing safety enforcement mechanisms and confirm the effectiveness and practical viability of the proposed attack.

09.
arXiv (quant-ph) 2026-06-16

Conditions for Unitarity in Timeless Quantum Theory

arXiv:2504.01579v3 Announce Type: replace Abstract: Quantum timeless approaches solve the problem of time by recovering the usual unitary evolution of quantum theory relative to a clock in a stationary quantum Universe. For some Hamiltonians of the Universe, such as those including an interaction term with the clock, the dynamics is substantially altered and can be non-unitary. This work derives necessary and sufficient conditions for the relative dynamics to be unitary and finds the general form of the unitary evolution operator. A physical interpretation of these conditions is given in terms of the clock's rate. Unitary dynamics is associated with rates that are constant in time and independent of the clock's internal structure.

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

Mask-Morph Graph U-Net: A Generalisable Mesh-Based Surrogate for Crashworthiness Field Prediction under Large Geometric Variation

arXiv:2605.15231v2 Announce Type: replace Abstract: Nonlinear finite element crash simulations are accurate but computationally expensive, limiting their use in iterative design optimisation. Machine-learning surrogate models based on graph neural networks (GNNs) offer a faster alternative. Message-passing GNNs are widely used for mesh simulation, and their shared node and edge update functions are relatively generalisable across varying graph structures. By contrast, non-shareable edge-specific aggregation layers can capture nonlinear relationships more accurately but usually require fixed graph connectivity, which limits generalisability. This paper presents Mask-Morph Graph U-Net (MMGUNet), a practical approach to addressing the limitation of hierarchical Graph U-Net architectures that use edge-specific downsampling and upsampling layers. Fixed coarse graph connectivity is required for edge-specific layers. To retain this while improving spatial correspondence, the proposed method morphs the coarsened graph hierarchy to each input mesh using feature-aligned barycentric parameterisation before constructing cross-graph edges. It further applies node masking during supervised pretraining, followed by parameter-efficient fine-tuning in which high-parameter edge-specific layers are frozen. The proposed approach is evaluated in in-distribution, out-of-distribution, and cross-component transfer settings using mean Euclidean distance and maximum intrusion percentage error. Results show that coarse-graph morphing improves test accuracy relative to a fixed-coarse-graph baseline, while masked supervised pretraining reduces the train-test discrepancy and improves data efficiency during transfer. The proposed model also achieves lower prediction error compared with external baselines. These results demonstrate a practical route toward reusable, data-efficient mesh-based surrogate modelling for crashworthiness design exploration.

11.
arXiv (quant-ph) 2026-06-24

Fractional squeezing: spectra and dynamics from generalized squeezing Hamiltonian with fractional orders

Authors:

arXiv:2601.15693v2 Announce Type: replace Abstract: We generalize the generalized-squeezing problem to include fractional values of the squeezing order $n$. This approach allows us to determine the locations of critical points at which qualitative changes in behaviour occur and accurately predict the behaviour at these critical points, which are challenging for conventional computational methods. Based on our numerical calculations, we identify with a high degree of confidence the point at which the spectrum turns from continuous to discrete and the point at which oscillations turn from having asymptotically infinite amplitudes to having finite amplitudes. Furthermore, we numerically investigate the behaviour in the large $n$ regime and provide an intuitive explanation for the numerical results.

12.
arXiv (CS.LG) 2026-06-15

Free Heavy-Tailed Lunch for Muon: A Theoretical Justification of Empirical Success

arXiv:2606.14560v1 Announce Type: cross Abstract: Non-Euclidean optimisation methods with matrix-valued updates, such as Muon and Scion, have recently shown strong empirical performance for training Transformer models, yet their theoretical advantages over Euclidean methods remain poorly understood. We address this gap in the heavy-tailed non-convex regime, where stochastic gradients have bounded $p$-th central moments, $p \in (1,2]$. We show that certain non-Euclidean methods achieve optimal sample complexity under stronger stationarity measures, while Euclidean methods incur additional dimension-dependent costs. As a consequence, for $m \times n$ matrices, Muon finds an $\varepsilon$-stationary point in nuclear norm within $\mathcal{O}\left(\min\{m, n\} \frac{\Delta_1 L}{\varepsilon^2} \left(\frac \sigma \varepsilon \right)^{\frac p {p-1}}\right)$ samples, absorbing heavy-tailed noise without extra dimension dependence, unlike Euclidean methods. We further prove this sample complexity, including its dimension dependence, is optimal for all first-order methods under nuclear-norm stationarity. Experiments on large language models support our theory. Surprisingly, our results suggest that other Schatten geometries beyond the spectral geometry of Muon can perform competitively in certain settings.

13.
arXiv (quant-ph) 2026-06-19

Passive-User Bell-State Loop-Back Key Establishment without Quantum Detectors at the User Nodes

arXiv:2606.19551v1 Announce Type: new Abstract: We propose and analyze a Bell-state extension of the Loop-Back quantum key distribution architecture for secret-key establishment between two passive users that do not require quantum transmitters or quantum detectors. In the proposed setting, a single active station, Alice, provides the entangled-state infrastructure, retains one qubit of an initially prepared Bell pair, and sends the traveling subsystem through two passive users, denoted by $B_1$ and $B_2$. Each passive user applies a local Pauli operation to the same traveling subsystem, so that the operation observed by Alice is only the effective composition $U_{\mathrm{eff}}=U_2U_1$. After the subsystem returns, Alice performs a Bell-state measurement and, using her private knowledge of the initial Bell state, deterministically identifies the effective Pauli operation. However, the individual factors $U_1$ and $U_2$ remain algebraically hidden from Alice whenever the local choices are uniformly and independently selected. The public effective operation acts as a parity-like constraint: each passive user can infer the operation applied by the other from its own private choice, while the active station learns only the global composition. This construction transfers the essential distributed-transformation mechanism of passive-user Loop-Back QKD to the entangled-state regime. Unlike single-qubit passive-user schemes, whose useful events are intrinsically post-selected, the Bell-state version is limited primarily by the success probability of the Bell-state measurement. We discuss the algebraic structure of the protocol, its interpretation as an infrastructure-assisted mediated key-establishment mechanism, and the physical assumptions required to protect passive Pauli modulators against active injection or Trojan-horse-type attacks.

14.
arXiv (CS.CL) 2026-06-24

Metis: Bridging Text and Code Memory for Self-Evolving Agents

Self-evolving agents improve over time by distilling experience from past executions and reusing it in future tasks. Existing systems represent such experience either as natural-language text injected into the agent context or as code exposed as callable tools. However, the choice between these representations is typically made at design time rather than derived from the characteristics of the experience itself, leaving the trade-offs between them poorly understood. We present the first controlled study that isolates text memory and code memory over an identical set of experiences. Our results show that the two forms exhibit complementary trade-offs in construction cost, execution efficiency, and transferability, such that neither representation alone is sufficient. Guided by these findings, we propose Metis, a self-evolving agent system built on a hierarchical dual-representation memory. Metis organizes textual experience into execution plans, environment facts, and common pitfalls, and selectively crystallizes recurring plans into validated callable tools. This design combines the broad applicability of text memory with the execution efficiency of code memory while incurring tool-generation cost only when justified by repeated reuse. We evaluate Metis on AppWorld, a challenging benchmark for interactive agents. The results show that Metis improves task accuracy by up to 20.6% over ReAct while reducing execution cost by up to 22.8%. Compared with representative self-evolving agent systems, Metis consistently achieves a better balance between accuracy, execution efficiency, and memory-construction cost.

15.
arXiv (CS.CL) 2026-06-12

KCSAT-ML: Probing Reasoning Models with Nationwide-Cohort Human Difficulty

Math reasoning benchmarks have proliferated, yet most lack a per-item difficulty signal grounded in actual human performance. We introduce KCSAT-ML, a decade (2014-2025) of Korean College Scholastic Ability Test (KCSAT; Suneung) mathematics: 664 problems with a 339-item core set carrying official per-item error rates from nationwide cohorts of hundreds of thousands of examinees. We pair the benchmark with Difficulty-aligned Reasoning Gain (DRG): a score-orthogonal metric that asks whether a model's mistakes concentrate on the items humans found hard, or on items humans found easy. Together they expose, across a wide range of VLMs (and LLMs via OCR), three patterns: (i) low-budget accuracy collapses on the high-human-error tail at every model size; (ii) test-time scaling (TTS) raises token use roughly linearly with cohort error rate, while accuracy gains follow a non-monotonic curve; (iii) within a single family, TTS flips between anti-scaling on the hardest items and overthinking on easier ones – two faces of the same alignment failure. On DRG, models with near-identical accuracy can sit at near-opposite values: one model gets wrong what humans also find hard, while another solves the hardest items yet fails on items humans find easy – a contrast that aggregate accuracy hides. Our code and dataset builder will be open-sourced at https://github.com/naver-ai/KCSAT-ML.

16.
arXiv (CS.AI) 2026-06-11

Grounding Computer Use Agents on Human Demonstrations

arXiv:2511.07332v2 Announce Type: replace-cross Abstract: Building reliable computer-use agents requires grounding: accurately connecting natural language instructions to the correct on-screen elements. While large datasets exist for web and mobile interactions, high-quality resources for desktop environments are limited. To address this gap, we introduce GroundCUA, a large-scale desktop grounding dataset built from expert human demonstrations. It covers 87 applications across 12 categories and includes 56K screenshots, with every on-screen element carefully annotated for a total of over 3.56M human-verified annotations. From these demonstrations, we generate diverse instructions that capture a wide range of real-world tasks, providing high-quality data for model training. Using GroundCUA, we develop the GroundNext family of models that map instructions to their target UI elements. At both 3B and 7B scales, GroundNext achieves state-of-the-art results across five benchmarks using supervised fine-tuning, while requiring less than one-tenth the training data of prior work. Reinforcement learning post-training further improves performance, and when evaluated in an agentic setting on the OSWorld benchmark using o3 as planner, GroundNext attains comparable or superior results to models trained with substantially more data,. These results demonstrate the critical role of high-quality, expert-driven datasets in advancing general-purpose computer-use agents.

17.
bioRxiv (Bioinfo) 2026-06-16

Phylogenetic tree inference using generative models

Accurate inference of phylogenetic trees is fundamental to evolutionary biology, yet existing methods rely on complex pipelines involving multiple sequence alignment, explicit evolutionary models, and computationally intensive tree search procedures. Here, we present BetaInfer, a generative framework that reformulates phylogenetic tree inference as a sequence transduction problem. BetaInfer leverages hybrid transformer-based architectures to directly map sets of unaligned sequences to phylogenetic trees represented in Newick format. Trained on large-scale simulated evolutionary data with known ground truth, BetaInfer learns to capture complex evolutionary signals directly from sequence data. Ensemble-based generation of multiple candidate trees further improves robustness, reducing reconstruction error by over 30% relative to single predictions. Across extensive evaluations on both simulated and empirical datasets, BetaInfer achieves competitive performance relative to state-of-the-art phylogenetic pipelines, matching, and in some cases exceeding, the accuracy of established likelihood-based and distance-based methods under a wide range of conditions. Interpretability analyses reveal that BetaInfer leverages internal pairwise-distance computations to synthesize evolutionary relationships into an integrated, global representation that supports direct tree generation. Together, these results demonstrate that generative models can serve as a viable and scalable alternative to standard phylogenetic pipelines.

18.
arXiv (CS.LG) 2026-06-16

Rethinking Structural Anomaly Detection: From Decision Boundaries to Projection Operators

arXiv:2606.15280v1 Announce Type: new Abstract: Most existing anomaly detection methods rely on estimating a probability density or learning an enclosing decision boundary, implicitly assuming that normal data occupies a region of non-zero volume in the ambient space. In contrast, structural anomaly detection considers data that lies near a low-dimensional manifold, creating a mismatch between the inductive bias of existing methods and the structure of the data, often resulting in degraded performance. To address this mismatch, we introduce a geometric perspective. Specifically, we learn a projection operator onto the manifold of normal samples and define a sample as anomalous if it is altered by this projection. This formulation naturally integrates the inductive bias of manifold-supported data and reframes anomaly detection in terms of a projection residual, thereby resolving issues arising from modeling degenerate distributions. Notably, it provides a unifying interpretation of reconstruction-based methods by explaining their success and failure in terms of projection quality. In particular, it explains the strong generalization ability of projection-aligned models as a consequence of contraction behavior toward the manifold. Moreover, by decoupling anomaly detection from probabilistic modeling, it reduces the tendency to misclassify rare but normal samples, a widely recognized limitation of existing approaches. Empirically, we demonstrate that projection-aligned methods achieve strong performance, outperforming boundary-based methods while improving upon existing reconstruction-based approaches.

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

Redact or Keep? A Fully Local AI Cascade for Educational Dialogue De-Identification

Educational dialogue is a valuable but sensitive resource for research: the same transcripts that capture authentic learning often capture personally identifiable information (PII) entangled with curricular content, where "Riemann" may refer to a real student or to a mathematical concept. Existing approaches force a tradeoff between governance and accuracy. Commercial Large Language Models (LLMs) can handle this ambiguity but require sending student data to third parties, while local named entity recognition (NER) systems preserve governance but over-redact curricular terms. We propose a fully local cascade framework that reframes de-identification from open-ended entity recognition to constrained privacy triage. A recall-first union proposer combines two lightweight encoders with deterministic rules to over-generate candidate spans; a context-aware reviewer then makes a binary Redact/Keep decision for each candidate using surrounding dialogue and speaker role. We evaluate three reviewer configurations against same-family LLM-only baselines and a commercial API on math tutoring transcripts from two large platforms. The strongest local configuration reaches 0.958 macro F1, compared with 0.767 for a same-family LLM-only baseline and 0.706 for the commercial API, while running entirely on a single laptop. On a targeted challenge set of curricular-personal name ambiguity, the same configuration degrades by only 0.03 F1 versus 0.19 to 0.25 for smaller reviewers. These results suggest that for educational de-identification, problem formulation matters more than model scale.

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

Diagonal-Budgeted Trotterization for Efficient Quantum Hamiltonian Simulation

arXiv:2606.16959v1 Announce Type: new Abstract: Efficient classical simulation of quantum Hamiltonian dynamics is often bottlenecked by exponential state growth and the overhead of generic sparse linear algebra. We introduce diagonal-budgeted Trotterization, a structure-aware strategy that decomposes Hamiltonians into factors preserving diagonal sparsity while tightly controlling fidelity loss. Our implementation, HamSim, utilizes a compact diagonal-sparse data layout and specialized C++/CUDA kernels to bypass the overheads of generic formats like CSR. By leveraging SIMD vectorization, multithreading, and GPU acceleration, HamSim achieves high performance across heterogeneous architectures. Benchmarks on the HamLib suite show that HamSim significantly outperforms Qiskit-Aer. On CPUs, HamSim attains speedups of $182$–$1,269\times$ on optimization instances (TSP, MaxCut) and $4.8$–$841\times$ on physical models (TFIM, Heisenberg). On GPUs, it achieves up to $178\times$ speedup for $12$–$16$ qubit problems. Unlike traditional Trotterization, HamSim maintains near-perfect fidelity without requiring exponential steps. This demonstrates that diagonal-aware numerical kernels provide a scalable foundation for high-fidelity classical Hamiltonian simulation.

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

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

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.

22.
arXiv (CS.AI) 2026-06-19

Interpreting Neural Combinatorial Optimization via Evolving Programmatic Bottlenecks

arXiv:2606.19741v1 Announce Type: new Abstract: Neural Combinatorial Optimization (NCO) achieves strong performance, yet its black-box nature remains a key roadblock to deployment and scientific diagnosis. Standard interpretability tools, such as Concept Bottleneck Models (CBMs), are ill-equipped for NCO, whose decisions are dynamic, state-dependent, and lack proper concept vocabulary definition. To close this gap, we introduce Evolving Programmatic Bottlenecks (EPB), to our knowledge, the first framework for interpreting NCO policies by distilling black-box NCO models into human-readable program portfolios. EPB employs an LLM to autonomously evolve a bank of programs, where each program's per-step action distribution serves as the bottleneck. EPB works through an iterative framework: Block I fixes program bank capacity and introduces a hybrid textual-numerical gradient descent scheme that couples numerical gradients for student router updates and textual gradients for LLM-based program revision; Block II dynamically adapts bank capacity via fault-targeted expansion and redundancy pruning. Extensive experiments demonstrate EPB's effectiveness and broad applicability, where the distilled program portfolios largely match original performance. EPB also reveals that NCO behavior shifts across optimization stages and can be approximated as a composition of classic heuristic variants. Our work advances interpretable NCO and establishes EPB as a promising tool for interpreting sequential decision-making models.

23.
arXiv (quant-ph) 2026-06-17

Entanglement dynamics for atoms near a reflecting boundary: Enhancement and suppression by environment-induced interactions

arXiv:2602.23773v2 Announce Type: replace Abstract: We investigate how environment-induced interactions influence the entanglement dynamics of two atoms held at fixed positions near a perfectly reflecting boundary. Within the framework of open quantum systems, we explicitly incorporate the environment-induced energy shifts, including both atom-boundary contributions and an environment-induced atom-atom interaction, which are often neglected in previous studies. We show that, for any initial two-atom state, these energy-shift effects qualitatively and quantitatively modify the entanglement dynamics relative to treatments that omit them. Depending on the geometry and parameter regime, the environment-induced interactions can either enhance entanglement generation – yielding a larger maximum concurrence and a longer entanglement lifetime – or suppress it, reducing both the peak concurrence and the survival time. This behavior contrasts sharply with the free-space case, where the environment-induced atom-atom interaction affects entanglement generation only for a restricted class of initial states and does so in an exclusively assisting manner.

24.
arXiv (CS.LG) 2026-06-17

Physics-Constrained Neural Networks for Improved Short-Term Weather Forecasting: A Case Study over the South Pacific

arXiv:2606.17659v1 Announce Type: new Abstract: This study introduces enhancements to physics-constrained neural networks (PCNNs) that improve the accuracy and stability of hybrid short-term weather forecasting models. Building on the WeatherGFT architecture, three innovations are proposed. First, an upgraded numerical solver, combining a fifth-order weighted essentially non-oscillatory scheme (WENO-5), a beta-plane approximation, and subgrid-scale viscosity, permits a fourfold increase in the integration time step to 1200 s while reducing the daily mean squared error by up to 26%. Second, a unified autoregressive hybrid block replaces the original chain of 24 specialised modules, eliminating overfitting to specific lead times. Third, the physical core is integrated with two state-of-the-art neural backbones, resulting in PI-PredFormer and PI-IAM4VP. Evaluation on the WeatherBench South Pacific subset from 2000 to 2004 shows that these hybrids reduce root mean squared error at 1-12 h lead times by 8-22% compared to purely neural counterparts, while better preserving physical consistency. These results demonstrate that incremental refinement of hybrid components offers a practical route toward more accurate and efficient short-range weather forecasting.

25.
arXiv (CS.CV) 2026-06-12

Contrast-Informed Augmentation and Domain-Adversarial Training for Adult-to-Neonatal MR Reconstruction Generalization

Purpose: To investigate whether contrast-informed data augmentation and domain-adversarial training improve the adult-to-neonatal generalization of the E2E-VarNet. Methods: Three training regimes were investigated: (1) adult-only training with unaugmented adult data, (2) mixed training with paired unaugmented and neonatal-informed augmented adult data, and (3) mixed training with a domain-adversarial objective. Models were trained on retrospectively undersampled multi-coil adult T2-weighted brain MR data and evaluated on neonatal and adult test data at acceleration factors $R=4$ and $R=8$ using quantitative metrics and qualitative evaluation. Feature analyses assessed whether domain-adversarial training altered the latent representations of unaugmented adult, augmented adult, and neonatal test samples. Results: Mixed training (Mixed) and mixed domain-adversarial training (Mixed-DAT) outperformed unaugmented adult-only training (Unaug-Only) when evaluated on neonatal data. At R=4, Mixed-DAT achieved the best performance (SSIM = 0.924 +/- 0.027, PSNR = 33.98 +/- 1.15 dB). At R=8, Mixed-DAT performed best when measured using SSIM (0.848 +/- 0.031 vs. 0.766 +/- 0.037 for Unaug-Only and 0.814 +/- 0.035 for Mixed) and Mixed performed best when measured using PSNR (29.56 +/- 0.83 dB vs. 26.26 +/- 0.78 dB for Unaug-Only and 29.43 +/- 0.83 dB for Mixed-DAT). Qualitative assessment of t-SNE plots suggested that Mixed-DAT increased the overlap among the latent representations of the unaugmented adult, augmented adult, and neonatal test data. Conclusion: Contrast-informed augmentation and domain-adversarial training improved adult-to-neonatal generalization of deep learning-based MR reconstruction. These findings suggest that contrast-informed data augmentation combined with adversarial training may improve robustness to domain shift in undersampled neonatal MR reconstruction.