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Peer-reviewade publikationer — 56950 artiklar

Context-Aware Deep Learning for Defect Classification in Atomic-Resolution STEM
arXiv:2606.09419v1 Announce Type: cross Abstract: Artificial intelligence is rapidly advancing materials characterization, yet most applications in electron microscopy rely solely on image contrast, overlooking the chemical and experimental context that shapes image formation. This limitation makes defect classification inherently ambiguous, as similar contrasts can arise from different materials or imaging conditions. Here we develop a context-aware learning framework that integrates image-derived contrast with metadata describing composition, beam energy, and detector geometry. Using a systematically constructed dataset of ~55 million simulated patches spanning 576 cases across 96 doped monolayer transition-metal dichalcogenides, we show that conditioning on contextual variables transforms defect classification from an ill-posed image-only task into a well-posed, physically grounded problem. The framework achieves over 98% accuracy on simulations and near-human agreement on experimental data, with a 94% reduction in posterior entropy. By emphasizing contextual grounding over architectural complexity, this approach links experimental image contrast to the underlying chemical and imaging conditions, supporting physically grounded defect assignments and a general pathway toward multimodal AI models for autonomous materials characterization.
Integrating gene regulatory priors into Transformer attention with scTransformer for interpretable scRNA-seq analysis
arXiv:2606.09558v1 Announce Type: cross Abstract: Motivation: Transformer-based models are increasingly applied to large-scale single-cell transcriptomics, showing strong performance through self-supervised learning on millions of cells. However, most existing approaches treat genes as independent features, and largely ignore prior biological knowledge, which limits interpretability and robustness. In this paper, we explore whether explicitly incorporating gene regulatory information can improve both model performance and biological insight. Results: We present scTransformer, the first Transformer-based approach that builds a priori knowledge of biological mechanisms into the model's attention patterns. By constraining information flow according to known regulatory structures, the model learns representations that are more biologically meaningful. We evaluate scTransformer on a disease-relevant single-nucleus RNA-seq dataset using supervised cell-type classification. Compared to standard Transformers, our approach improves classification accuracy, enhances separation of cell types in embedding space, and produces attention patterns consistent with known regulatory programs. Overall, our results demonstrate that embedding biological structure into Transformer models can enhance interpretability without sacrificing performance, offering a principled step toward biologically grounded foundation models for single-cell omics.
Reconstructing Synthetic SDO/AIA 193 A EUV Images from He I 10830 A Observations with Diffusion Model Translator
arXiv:2606.08652v1 Announce Type: cross Abstract: Routine full-disk EUV imaging has been available only since the modern era, such as SOHO and SDO. To extend EUV coronal context into earlier periods, we leverage the multi-decade availability of full-disk \HeI{} observations, whose absorption is modulated by coronal irradiance and magnetic topology and is widely used as a proxy for open-field regions. We present a diffusion-based conditional image translation framework, Coronal Hole-aware Diffusion Model Translator (CH-aware DMT), to reconstruct synthetic SDO/AIA 193 \AA{} EUV images from \HeI{} inputs. The model is trained on temporally co-aligned SOLIS \HeI{} and AIA 193 \AA{} pairs spanning 2011--2015 using a month-based split, where January--October are used for training, November is used for validation, and December for testing. On the held-out test set, the reconstructions preserve dominant full-disk EUV morphology (CC=0.92) and recover CH-related low-intensity structure (CC=0.84). We further assess historical applicability by (1) comparing reconstructed AIA 193 \AA{} morphology with SOHO/EIT 195 \AA{} over 2005--2015; (2) comparing reconstructed AIA 193 \AA{} images generated from KPVT \HeI{} inputs against Yohkoh/SXT soft X-ray observations; and (3) evaluating long-term reconstructed disk-integrated emission statistics against observational EUV series and independent solar activity proxies (sunspot number and F10.7 radio flux over 1974--2015). These results indicate that CH-aware DMT conditioned on \HeI{} can provide a physically plausible synthetic AIA 193 \AA{} coronal proxy for historical studies, supporting multi-decade analyses of large-scale coronal evolution before the direct EUV imaging was available.
An Enhanced Geometric-Spectral Feature Learning Framework for Airborne Multispectral Point Cloud Classification
arXiv:2606.09123v1 Announce Type: new Abstract: Multispectral point cloud (MPC) is composed of 3D spatial-spectral information, which holds tremendous potential for accurate land-cover classification. However, the representation power of classification models is limited by inherent high-dimensional and heterogeneous spatial-spectral information, unbalanced sample distribution, and inter-class spectral similarity of airborne MPCs. We build two MPC datasets and propose an enhanced geometric-spectral feature learning framework based on attentions for airborne MPC classification. A key component in our model is a two-stream feature fusion method with attention mechanisms, which enhances the representation capability of spatial-spectral features from high-dimensional heterogeneous MPCs. The first stream aims to extract position-encoded global spectral features with fusion self-attention, and the second stream comprises a multikernel point convolution and feature aggregation attention to extract spectral-guided geometric features. We then develop a residual attention fusion block to integrate the most informative geometric-spectral features from the two parallel streams. Another important contribution of this work is a joint loss function to improve the learning ability on unbalanced and interclass similar samples. Experimental results on two airborne MPC datasets demonstrate the effectiveness of the proposed method compared with the state-of-the-art methods. Furthermore, the codes and datasets used in this paper will be made available freely at https://github.com/HITlixian/TGRS_GSFF.
A Regret Minimization Framework on Preference Learning in Large Language Models
arXiv:2606.09124v1 Announce Type: new Abstract: Reinforcement learning with verifiable rewards (RLVR) has enabled progress on reasoning-intensive tasks by relying on task-specific verifiers that provide automated correctness signals. However, many realistic language tasks are difficult to equip with reliable verifiers, motivating a growing reliance on reinforcement learning from human feedback (RLHF). In this setting, we argue that a closer examination of how human feedback should be interpreted is essential. We introduce Regret-based Preference Optimization $(\textbf{RePO})$, which reframes RLHF through $\textit{regret minimization}$ rather than reward maximization. Human preferences are often shaped by $\textit{prospective}$ anticipation of outcomes and $\textit{counterfactual}$ comparisons to alternative behaviors, rather than by immediate, outcome-independent utility. $\textbf{RePO}$ captures this structure by modeling preferences as behavior-conditioned assessments of relative suboptimality. Experiments on mathematical reasoning benchmarks and human preference datasets demonstrate consistent performance gains, indicating that $\textbf{RePO}$ is an effective and human-aligned approach for training large language models.
Finite-n Estimate of Dedekind Numbers by Layer-Ratio Monte Carlo
arXiv:2606.09795v1 Announce Type: cross Abstract: Dedekind's problem counts monotone Boolean functions, equivalently downsets of a Boolean lattice. We recast this enumeration as a finite layer-ratio reconstruction problem for the Whitney numbers of the ranked ideal lattice. An exact adjacent-layer double count expresses each layer ratio through local averages of the number of addable elements and the number of removable elements. Reversible fixed-layer Markov chains estimate these averages and hence estimate the Dedekind number M(n). Backtests at M(8) and M(9) calibrate seed-level variability under the fixed protocol and measure the observed Monte Carlo budget scaling. The resulting estimate probes the Whitney-number sequence of the ideal lattice. Although these rows have previously been described empirically as unimodal, the high-precision n=9 estimate has a shallow two-shoulder feature around the central rank, contrary to that empirical description; n=11 and n=13 center-window estimates show a larger-contrast analogous pattern. The protocol estimate for M(10) is \[ \widehat M(10)=(8.9360\pm0.0010)\times 10^{78}, \] where the displayed uncertainty is the budget-based forecast scale from the cross-n scaling law under the production budget.
Generative Reasoning Re-ranker
arXiv:2602.07774v5 Announce Type: replace Abstract: Recent studies increasingly explore Large Language Models (LLMs) as a new paradigm for recommendation systems due to their scalability and world knowledge. However, existing work has three key limitations: (1) most efforts focus on retrieval and ranking, while the reranking phase, critical for refining final recommendations, is largely overlooked; (2) LLMs are typically used in zero-shot or supervised fine-tuning settings, leaving their reasoning abilities, especially those enhanced through reinforcement learning (RL) and high-quality reasoning data, underexploited; (3) items are commonly represented by non-semantic IDs, creating major scalability challenges in industrial systems with billions of identifiers. To address these gaps, we propose the Generative Reasoning Reranker (GR2), an end-to-end framework with a three-stage training pipeline tailored for reranking. First, a pretrained LLM is mid-trained on semantic IDs encoded from non-semantic IDs via a tokenizer achieving $\ge$99% uniqueness. Next, a stronger larger-scale LLM generates high-quality reasoning traces through carefully designed prompting and rejection sampling, which are used for supervised fine-tuning to impart foundational reasoning skills. Finally, we apply Decoupled Clip and Dynamic sAmpling Policy Optimization (DAPO), enabling scalable RL supervision with verifiable rewards designed specifically for reranking. Experiments on two real-world datasets demonstrate GR2's effectiveness: it surpasses the state-of-the-art OneRec-Think by 2.4% in Recall@5 and 1.3% in NDCG@5. Ablations confirm that advanced reasoning traces yield substantial gains across metrics. We further find that RL reward design is crucial in reranking: LLMs tend to exploit reward hacking by preserving item order, motivating conditional verifiable rewards to mitigate this behavior and optimize reranking performance.
A Survey of Heterogeneous Graph Neural Networks for Cybersecurity Anomaly Detection
arXiv:2510.26307v3 Announce Type: replace Abstract: Anomaly detection is a critical task in cybersecurity, where identifying insider threats, access violations, and coordinated attacks is essential for ensuring system resilience. Graph-based approaches have become increasingly important for modeling entity interactions, yet most rely on homogeneous and static structures, which limits their ability to capture the heterogeneity and temporal evolution of real-world environments. Heterogeneous Graph Neural Networks (HGNNs) have emerged as a promising paradigm for anomaly detection by incorporating type-aware transformations and relation-sensitive aggregation, enabling more expressive modeling of complex cyber data. However, current research on HGNN-based anomaly detection remains fragmented, with diverse modeling strategies, limited comparative evaluation, and an absence of standardized benchmarks. To address this gap, we provide a comprehensive survey of HGNN-based anomaly detection methods in cybersecurity. We introduce a taxonomy that classifies approaches by anomaly type and graph dynamics, analyze representative models, and map them to key cybersecurity applications. We also review commonly used benchmark datasets and evaluation metrics, highlighting their strengths and limitations. Finally, we identify key open challenges related to modeling, data, and deployment, and outline promising directions for future research. This survey aims to establish a structured foundation for advancing HGNN-based anomaly detection toward scalable, interpretable, and practically deployable solutions.
High-Efficiency Broadband Mid-Infrared Absorption in Asymmetrically Matched Metallic Meanders: Development of Ti40V60 Alloy based LEKIDs for Mid-Far IR
arXiv:2606.09309v1 Announce Type: new Abstract: Fast, highly sensitive, and broadband detectors operating in the mid-to-far-infrared (MIR-FIR) spectral region are essential for applications ranging from astrophysics to time-resolved spectroscopy using laboratory-based sources and beamlines at Infrared Free-Electron Laser (IR-FEL) facilities. Conventional Lumped Element Kinetic Inductance Detectors (LEKID) achieve high optical efficiency using resonant quarter wavelength ({\lambda}/4) backshort cavities. However, this cavity-based approach is inherently narrowband and becomes optomechanically challenging at the mid to far infrared (MIR-FIR) wavelengths. Here, we present a completely backshort-free LEKID absorber architecture that achieves broadband absorption exceeding 50%. The meander absorbers were fabricated from a superconducting Ti-V alloy and characterized using IR radiation from the IR-FEL at RRCAT, India. By illuminating through the silicon substrate and matching the meander's sheet resistance to the silicon substrate's wave impedance, the front-side reflection is strongly suppressed. Simultaneously, the sub-wavelength periodicity of the dense meander inhibits propagating transmission into free space via evanescent wave confinement. This combined mechanism drives efficient Ohmic dissipation within the metallic meander, yielding an experimental absorption efficiency ranging from 50% to 90% across the 12.5-30 micrometer wavelength range. The cavity-free design greatly simplifies the fabrication of the focal plane array while providing the broadband response required for next-generation detectors. To assess the suitability of the Ti40V60 alloy as an active superconducting detector material, a test LEKID resonator was also designed, fabricated, and experimentally characterized.
Improved Convergence Analysis of Topology Dependence in Decentralized SGD
arXiv:2606.09154v1 Announce Type: new Abstract: Decentralized SGD is a fundamental algorithm in decentralized learning, although the influence of an underlying network topology on its convergence behavior is not yet fully understood. Existing convergence analyses have shown that topologies with a small spectral gap significantly deteriorate the convergence rate of Decentralized SGD in both homogeneous and heterogeneous cases. However, many prior papers have reported that indeed the choice of the topology has a significant experimental impact in the heterogeneous case, but has little experimental impact on training behavior in the homogeneous case. In this paper, we present a tighter convergence analysis of Decentralized SGD, offering a more precise understanding of how topologies affect the convergence rate than the prior analysis. Specifically, unlike existing convergence analyses that used only the spectral gap as a property of the topology, our novel analysis shows that all eigenvalues of the mixing matrix affect the convergence rate. Throughout the experiments, we carefully evaluated the convergence behavior of Decentralized SGD and demonstrated that our novel convergence analysis can more accurately describe the effect of topology on the convergence rate.
Bridged SBI: Correcting Biased Low-Fidelity Posteriors for Cost-Efficient High-Fidelity Inference
arXiv:2606.09155v1 Announce Type: new Abstract: Accurate calibration of particle-based simulators is crucial for robotic earthwork simulation, but analytical calibration is challenging due to this task's highly nonlinear particle dynamics and the black-box nature of conventional simulators. Although simulation-based inference (SBI) can estimate posterior distributions over simulation parameters solely from forward simulations, applying SBI directly to high-fidelity (HF) particle simulators is often computationally prohibitive. Low-fidelity (LF) simulators with coarser particles can reduce this cost, but changes in particle size and particle count shift the parameter values needed to reproduce the same observation, producing biased LF posteriors. We propose Bridged SBI, which leverages a biased but informative LF posterior to guide HF inference. This method first uses inexpensive LF simulations to identify a coarse high-density parameter region, and then it learns a local residual bridge to transport LF posterior samples toward HF-consistent regions by correcting the LF--HF discrepancy. We analyze how sequential multi-fidelity SBI (Naive-MF) can suffer from LF-induced posterior miscoverage when it directly relies on the LF posterior without discrepancy correction. We then show that Bridged SBI is designed to alleviate this issue by explicitly modeling the LF--HF discrepancy through residual correction. Experiments on both sim-to-sim particle-parameter calibration and real-to-sim calibration with real soil observation show that Bridged SBI produces more accurate and reliable HF posteriors than HF-only SBI or the Naive-MF baseline, especially under limited HF simulation costs.
Consensus-based adaptive sampling and approximation for high-dimensional energy landscapes
arXiv:2311.05009v5 Announce Type: replace Abstract: We present a consensus-based framework that unifies phase space exploration with posterior-residual-based adaptive sampling for surrogate construction in high-dimensional energy landscapes. Unlike standard approximation tasks where sampling points can be freely queried, physical systems with complex energy landscapes such as molecular dynamics (MD) do not have direct access to arbitrary sampling regions due to the physical constraints and energy barriers; the surrogate construction further relies on the dynamical exploration of phase space, posing a significant numerical challenge. We formulate the problem as a minimax optimization that jointly adapts both the surrogate approximation and residual-enhanced sampling. The construction of free energy surfaces (FESs) for high-dimensional collective variables (CVs) of MD systems is used as a motivating example to illustrate the essential idea. Specifically, the maximization step establishes a stochastic interacting particle system to impose adaptive sampling through both exploitation of a Laplace approximation of the max-residual region and exploration of uncharted phase space via temperature control. The minimization step updates the FES surrogate with the new sample set. Numerical results demonstrate the effectiveness of the present approach for biomolecular systems with up to 30 CVs. While we focus on the FES construction, the developed framework is general for efficient surrogate construction for complex systems with high-dimensional energy landscapes.
Notes on data-driven output-feedback control of linear MIMO systems
arXiv:2311.17484v3 Announce Type: replace Abstract: Recent works have approached the data-driven design of dynamic output-feedback controllers for discrete-time LTI systems by constructing non-minimal state vectors composed of past inputs and outputs. Depending on the system's complexity (order $n$, lag $\ell$ and number of outputs $p$), it was observed in several works that such an approach presents significant limitations. In particular, many works require to restrict the class of LTI systems to those satisfying the relation $p\ell=n$. In this note, we show how to address the general MIMO case (for which $p\ell\geq n$ in general) by constructing an alternative non-minimal state vector from data. Different from the existing literature, our method guarantees the satisfaction of certain rank conditions when the system is persistently excited, thereby facilitating the direct data-driven dynamic output-feedback control of MIMO systems by applying methods that were originally developed for the input-state data setting.
SEF-CLGC at SemEval-2026 Task 11: Logical Notation Impact on Language Model Performance
arXiv:2606.09157v1 Announce Type: new Abstract: This paper revisits our pipeline called Syllogistic Evaluation Framework-Common Logic Grammar Construction (SEF-CLGC). We combine formal logical notations with Small Language Models (SLMs) to evaluate reasoning performance on the SemEval-2026 Task 11 Subtask 1: Disentangling Content and Formal Reasoning in Large Language Models. Our experiments show that by relying solely on SLMs, trained on a combination of natural and symbolic languages, our best model achieves a content score of 27.80% on the task while significantly lowering the content bias in reasoning.
Unified Energy for Invariant and Independent Decoding in Diffusion Language Models
arXiv:2606.09159v1 Announce Type: new Abstract: Diffusion Language Models (DLMs) enable parallel text generation by iteratively denoising a full sequence, offering attractive flexibility compared to auto-regressive (AR) decoding. However, existing methods fail to fully capture token relationships, leading to a performance gap relative to AR baselines, especially as the degree of parallelism increases. In this paper, we give a systematic analysis of the gap, identifying three key factors: (i) model capacity, (ii) dependency, and (iii) invariance. To address these issues, we first propose an invariant energy (Inv-E) together with an effective sampling-based estimator to handle the invariance issue. By further combining with the independent energy (Ind-E), we obtain a unified energy (Uni-E), that accounts for all these factors. Uni-E enjoys a unique advantage: it can be computed exactly without sampling-based partition estimation. Besides, Uni-E is model agnostic and can therefore be scaled to models of arbitrary size. We further prove that Uni-E can correct the distribution shift caused by dependency and invariance. Extensive experiments across Diffusion Language Models (DLMs) and Diffusion Large Language Models (DLLMs) demonstrate the effectiveness of the proposed Uni-E.
Extreme Points of the $(0,\delta)$-LDP Polytope with Small Input Size and Arbitrary Output Sizes
arXiv:2606.09161v1 Announce Type: new Abstract: The structure of locally differentially private (LDP) mechanisms can be understood through the geometry of the corresponding privacy polytope. While the extreme points of the \( (\epsilon,0)\)-LDP polytope are well characterized (Kairouz \emph{et al.}, 2014; Holohan \emph{et al.}, 2017; Pensia \emph{et al.}, 2017), comparatively little is known for the \((\epsilon,\delta)\)-LDP polytope with \(\delta>0\). Recent work (Elangovan and Jog, 2024) has shown that even in the special case \(\epsilon=0\), the \( (0,\delta) \)-LDP privacy polytope exhibits fundamentally different behaviour. In this work, we provide complete characterizations of the extreme points for the low-input-alphabet regime \(k=2\) and \(k=3\) and with arbitrary output alphabet size \(m \). We also identify new extreme mechanisms for larger input alphabet sizes $k$, of the star configuration type, as introduced by Elangovan and Jog (2024).
A systematic investigation of molecular encoding methods for drug property predictions across neural network and Transformer encoder-based model
arXiv:2606.08973v1 Announce Type: cross Abstract: Fundamental investigations into how different molecular encoding methods affect molecular property prediction remain relatively limited. In this study, we extensively examined the optimal molecular encoding methods for molecular properties prediction using two prevalent structure designs: a classical neural network model (MLP) and a Transformer encoder-based model (MLP+TL). For molecular encoding methods, we investigated several types of fingerprints, including traditional topological fingerprints, substructure-based fingerprints, and string-based representations. These two models were trained on seven well-known molecular datasets to evaluate different input molecular encoding methods based on evaluation metrics. On several biologically relevant classification tasks, including toxicity, mutagenicity, and side-effect prediction, our models consistently achieved average AUC values above 0.9. Rather than relying on external post-hoc explanation methods such as the local interpretable model-agnostic explanation (LIME) or the Deep SHapley Additive exPlanations (SHAP), we leveraged the model's intrinsic attention weights as an internal interpretability signal for identifying potentially important feature. The MLP+TL model using MACCS and PubChem as input can capture chemically interpretable groups that determined the major blood-brain barrier (BBB) permeability and mutagenicity in Salmonella typhimurium. In particular, a comparison between Morphine and Heroin highlighted the role of hydroxyl-related substructures in BBB permeability prediction, which was consistently reflected in the attention weights. Overall, our findings provide practical guidance for selecting effective molecular encoding methods and contribute to the development of interpretable molecular informatics approaches for drug discovery.
MeanVC 2: Robust Low-Latency Streaming Zero-Shot Voice Conversion
arXiv:2606.09050v1 Announce Type: cross Abstract: Streaming zero-shot voice conversion (VC) has become increasingly popular due to its potential for real-time applications. The recently proposed MeanVC achieves lightweight streaming zero-shot VC, but it has several limitations: its chunk-wise autoregressive denoising doubles the effective training sequence length, conversion quality degrades under small-chunk settings, and its timbre encoder directly relies on reference mel-spectrograms, making it sensitive to reference audio quality. To address these limitations we propose MeanVC 2. We introduce future-receptive chunking (FRC), which explicitly schedules past and future receptive fields across diffusion transformer decoder layers and removes clean-chunk teacher forcing. By incorporating bounded future context, FRC enables stable conversion with a 40 ms chunk size. We further introduce a universal timbre token encoder, which constructs a timbre representation from a global speaker embedding and retrieves fine-grained timbre cues via cross-attention, improving robustness to low-quality references and enhancing zero-shot speaker similarity. Experimental results show that MeanVC 2 significantly outperforms MeanVC, while reducing latency from 211 ms to 110 ms. Audio samples are publicly available. The source code will be publicly released.
Observability for Delegated Execution in Agentic AI Systems
arXiv:2606.09692v1 Announce Type: new Abstract: Delegation-scoped execution is not identifiable from standard observables: audit logs and execution traces can be identical under multiple incompatible delegation assignments. This gap is especially acute in LLM-based agentic systems, where agents dynamically select tools, vary execution sequences across runs for the same instruction, and spawn cooperating sub-agents. These dynamics fragment and interleave traces, making delegation-scoped reconstruction from causal structure alone structurally underdetermined. Although individual actions are authorized and logged, existing audit, tracing, and security schemas lack the semantics to reconstruct what actions occurred under a given delegation across heterogeneous systems. We focus on delegation-scoped attribution and access/share footprint reconstruction, not intent inference or reasoning reconstruction. We present an agent-aware observability substrate consisting of a lightweight gateway and a common information model that binds delegation context at execution time. This enables reliable cross-tool delegation-scoped reconstruction and direct forensic queries without heuristic time-window correlation.
Parahydrogen Cooling of Nuclear Spin Chains at Hypogeomagnetic Fields
arXiv:2606.09649v1 Announce Type: cross Abstract: Solution-state molecular nuclear spin networks are promising quantum simulators because their scalar-coupling Hamiltonians are chemically programmable, precisely measurable, and coherent at room temperature. Their main limitation for quantum information science is initialization: thermal Boltzmann polarization produces highly mixed, high-entropy states. Here, we use parahydrogen-based Signal Amplification by Reversible Exchange (SABRE) at hypogeomagnetic fields (i.e., magnetic fields below Earth field) to hyperpolarize the chemically engineered 12-spin chain [U-13C,15N]-butyronitrile. SABRE generates percent-level 13C and 15N polarization and prepares non-equilibrium multi-spin orders across the network. A von Neumann entropy analysis of such a hyperpolarized system shows that, at the optimal transfer field of 0.52 uT, the full spin system could reach S/k = 8.274, compared with S/k = 8.318 for the unpolarized reference, giving (S-Sth)/k = -0.043. Experimentally, nuclear spin temperatures of 52 mK and 257 mK are achieved for 15N and 13C subensembles, respectively. The larger entropy deficit of the full network than of individual subsystems indicates correlated multi-spin order beyond single-spin polarizations. Rapid field cycling to 9.4 T enables site-resolved NMR readout, while the precisely determined coupling network provides an experimentally benchmarked Hamiltonian for testing quantum-simulation, quantum-control, and Hamiltonian-learning protocols.
SFILES 2.0: An extended text-based flowsheet representation
arXiv:2208.00778v2 Announce Type: replace Abstract: SFILES are a text-based notation for chemical process flowsheets. They were originally proposed by d'Anterroches (Process flow sheet generation & design through a group contribution approach) who was inspired by the text-based SMILES notation for molecules. The text-based format has several advantages compared to flowsheet images regarding the storage format, computational accessibility, and eventually for data analysis and processing. However, the original SFILES version cannot describe essential flowsheet configurations unambiguously, such as the distinction between top and bottom products. Neither is it capable of describing the control structure required for the safe and reliable operation of chemical processes. Also, there is no publicly available software for decoding or encoding chemical process topologies to SFILES. We propose the SFILES 2.0 with a complete description of the extended notation and naming conventions. Additionally, we provide open-source software for the automated conversion between flowsheet graphs and SFILES 2.0 strings. This way, we hope to encourage researchers and engineers to publish their flowsheet topologies as SFILES 2.0 strings. The ultimate goal is to set the standards for creating a FAIR database of chemical process flowsheets, which would be of great value for future data analysis and processing.
Who Earns the Safety? Intervention-Aware Quantum Predictive Control with Safety Attribution
arXiv:2606.09778v1 Announce Type: cross Abstract: Hard safety filters are increasingly placed downstream of learned controllers to guarantee constraint satisfaction at run time. Yet a filtered controller that never violates a constraint may still have learned nothing about safety: the filter can silently repair an incompetent upstream policy, so that post-filter success measures the filter, not the policy. We argue that safe policy learning should ask who earns the safety - the policy or its protective layers - and we make this question measurable. We introduce Intervention-Aware Variational Quantum Differentiable Predictive Control (IA-VQC-DPC), which (i) trains a compact variational quantum circuit (VQC) policy under a primal-dual intervention budget that penalizes reliance on a differentiable Control-Barrier-Function (CBF) projection, and (ii) is evaluated with a safety-attribution protocol that decomposes the executed-trajectory correction into a CBF term and a deployment runtime-guard term, and stress-tests the policy with guard-off evaluation. On closed-loop, high-fidelity BOPTEST building-control emulators (5 seeds, 60 episodes per method), intervention-aware training significantly lowers the quantum policy's raw pre-filter violation and total safety-layer reliance (both p < 10^-4) with no significant energy regression; at an equal approximately 400-parameter budget the quantum policy is significantly safer and more comfortable than a matched classical policy. Guard-off evaluation confirms the improvement is policy-level and exposes a valuable negative result: a learned differentiable energy head is only safe when paired with a distribution-aware runtime guard. The attribution protocol is general beyond quantum policies and buildings.
N\"ushuVoice: Reviving the Voice of Endangered N\"ushu with Pitch-Aware Text-to-Speech
arXiv:2606.09295v1 Announce Type: new Abstract: N\"ushu is an endangered phonetic script historically used by women in Jiangyong County, southern Hunan, China. While existing computational studies of N\"ushu mainly focus on textual digitization and visual recognition, the acoustic reconstruction of its authentic pronunciation remains largely unexplored. Building a N\"ushu text-to-speech (TTS) system is particularly challenging because available recordings are extremely limited and mostly consist of isolated syllable-level pronunciations rather than natural sentence-level utterances. In this work, we introduce N\"ushuVoice, the first TTS benchmark for N\"ushu. We construct a sentence-level N\"ushu text-to-audio dataset that aligns standardized Unicode N\"ushu text, phonetic transcriptions, standard Chinese translations, and archival recordings. To synthesize speech under this extreme low-resource setting, we propose N\"ushu-PitchVITS, an F0-conditioned VITS framework that leverages N\"ushu's five-level pitch notation as an explicit prosodic inductive bias. Experimental results show that N\"ushu-PitchVITS outperforms strong TTS baselines in spectral fidelity, pitch reconstruction, and human-rated intelligibility. We publicly release the dataset and code at: https://anonymous.4open.science/r/Nvshu-TTS-2EB6.
Towards Post-Quantum Secure Pharmacovigilance with ML-KEM and ML-DSA
arXiv:2606.09412v1 Announce Type: new Abstract: Pharmacovigilance systems handle sensitive healthcare and drug-safety data, including adverse event reports and clinical observations. As quantum computing advances, classical public-key cryptographic systems such as RSA and elliptic-curve cryptography may become vulnerable, creating long-term risks for healthcare data that must remain confidential for many years. This paper presents an educational prototype of a post-quantum secure pharmacovigilance data pipeline. The system uses ML-KEM-768 for post-quantum key establishment, HKDF-SHA-256 for deriving an AES key, AES-256-GCM for efficient file encryption, and ML-DSA-65 for digital signatures and tamper detection. The pipeline supports multiple file formats, including TXT, CSV, JSON, and PDF, by treating files as raw bytes and preserving metadata for reconstruction at the receiver. The prototype includes separate hospital, gateway, pharma receiver, attacker, benchmarking, and dashboard components. We evaluate the system using synthetic pharmacovigilance datasets of different sizes and formats. Our results show that ML-KEM adds a small constant overhead, while AES encryption and ML-DSA signing dominate runtime as file size increases. This work is not a production-ready healthcare system, but rather an educational systems-level exploration of how post-quantum cryptographic primitives can be integrated into healthcare-style data pipelines.
Correlation Is Not Enough: Embedding Human Metadata for Individual Causal Discovery
arXiv:2606.09672v1 Announce Type: new Abstract: Ask a pretrained biomedical language model whether "cortisol 28 ug/dL" and "stock-market volatility" are related, and it returns a cosine similarity of 0.83 on a scale where 1.0 means identical. The two share no mechanism. This is not a corner case: every off-the-shelf biomedical encoder we tested (BioBERT, PubMedBERT, BioM-ELECTRA) scores unrelated cross-domain pairs between 0.76 and 0.92 when the answer should be near zero. Accuracy on cross-domain discrimination is 0%. Retrieval systems survive this, because a language model downstream filters the noise. A Large Behavioural Model (LBM), a foundation model whose subject is a person rather than a sentence, does not: it reasons over a graph of a user's life and treats embedding proximity as evidence that two events are causally linked. False proximity writes a false causal edge, and everything downstream inherits the error. Here, embedding geometry is not a tuning knob; it is correctness. We report the fix. A contrastive pass over 72,034 pairs raises PubMedBERT BIOSSES correlation from 0.633 to 0.828 and within-vs-across-domain separation from 1.05x to 1.63x. A second pass, BODHI, mines hard negatives from edges absent in a biomedical knowledge graph and lifts separation to 2.30x and the discrimination gap to +0.392, at a 4.5% BIOSSES cost. On an Intel Xeon 6737P with AMX, OpenVINO cuts single-query latency from 1367 ms to 10 ms (133x) and reaches 555 sentences/sec. One finding contradicts standard advice: FP16 beats INT8 on this silicon at every serving batch size, and we explain why. The same model on a no-AMX Ice Lake instance runs 13-27x slower. We release the benchmark suite, training corpora, the BODHI generator, and the OpenVINO scripts.