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01.
arXiv (CS.LG) 2026-06-11

Mirror Descent Beyond Euclidean Stability: An Exponential Separation in Initialization Sensitivity

arXiv:2606.11431v1 Announce Type: new Abstract: Mirror Descent (MD) extends Gradient Descent (GD) beyond Euclidean geometry and has recently reappeared as a lens for KL-regularized policy optimization in reinforcement learning and LLM post-training. This raises a basic robustness question, crucial to reproducibility and reliability: how sensitive are MD dynamics to their inputs? We focus on initialization, often itself a pretrained or previously aligned model. Quadratic-regularized MD, including GD and Mahalanobis geometries, is well-known to be stable for convex smooth objectives. We show a sharp contrast: once the regularizer is non-quadratic, MD can be exponentially more sensitive to initialization than GD, even with a well-conditioned regularizer in Euclidean norm. We give a three-dimensional construction with a convex, smooth objective and a strongly convex, smooth, well-conditioned regularizer where an initial $\varepsilon$ perturbation is quickly amplified to $\min\{polylog^{-1}(1/\varepsilon), \varepsilon e^{\Omega(\eta T)}\}$ after $T$ iterations of MD with step size $\eta$. For canonical KL-regularized MD on the simplex, we show that even linear objectives can amplify an initial $\varepsilon$ perturbation exponentially fast in high-dimensional or near-boundary regimes. Finally, we show that adding a Bregman regularization term toward an anchor point can stabilize the dynamics while largely preserving the optimization guarantees, and that the choice of anchor is crucial: anchoring at the initialization only partially mitigates the instability, whereas anchoring at a fixed point yields a more stable mechanism.

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

Predicting Cognitive Load from Speech and Interaction Dynamics in Dyadic Conversations

arXiv:2606.12971v1 Announce Type: new Abstract: Estimating cognitive load from speech has largely been studied in controlled laboratory settings, with limited understanding of its reliability in natural collaborative conversations. We investigate whether speech and interaction dynamics predict perceived cognitive load during dyadic conversations. We analyze audio from 53 dyads performing nine collaborative tasks and extract static acoustic, dynamic, and interaction features to train a two-head Gated Recurrent Unit encoder to predict cognitive load scores. Results show conversational interaction provides useful signals for predicting cognitive load related to time pressure, mental work, effort, and task performance. Temporal demand is associated with turn-taking dynamics such as overlap and speaker switch, while mental demand is linked to imbalanced participation between speakers. These findings highlight the importance of task structure and conversational interaction for modeling cognitive load in natural collaborative settings.

03.
arXiv (CS.CL) 2026-06-24

CALIBER: Calibrating Confidence Before and After Reasoning in Language Models

Reasoning language models are increasingly asked not only to answer difficult questions, but also to estimate their likelihood of success. Existing methods typically elicit confidence only once: either before thinking or after answering. We argue that confidence in reasoning models is state-dependent: before thinking, confidence should estimate the chance of the model correctly solving the prompt, while after thinking it should predict whether the realized answer is likely to be correct. This distinction determines the appropriate supervision target: prompt-level success should supervise confidence estimates made after seeing the prompt, while individual answer-level correctness should supervise confidence estimates made after answering. We introduce CALIBER (Calibration Before and After Reasoning), which elicits both estimates and supervises each with the target matched to its information state. Under this unified protocol, CALIBER reduces Expected Calibration Error (ECE) by 52.5% over the strongest single-confidence baseline on BigMathDigits for the 7B model, while achieving the best Brier score and AUROC, and remains within 2.1 points of the best accuracy. Further, on a larger 30B model, CALIBER achieves the best ECE on BigMathDigits while remaining competitive in Brier score and AUROC. Out of distribution, it achieves the best ECE and Brier score on GPQA and TriviaQA, and remains competitive on SimpleQA. Ablations further show that this position-target alignment is most beneficial under distribution shift where it consistently reduces calibration error across all out-of-distribution benchmarks.

04.
arXiv (math.PR) 2026-06-19

Optimal Sparsification of Gaussian Processes

arXiv:2606.19763v1 Announce Type: new Abstract: We prove an optimal dimension-free sparsification theorem for suprema of centered Gaussian processes. Given a bounded set $T\subseteq\mathbb{R}^n$, we show that the supremum of the canonical Gaussian process on $T$ can be $L^2$-approximated by the supremum of a shifted subprocess indexed by only $\exp(O(1/\varepsilon^2))$ points, with error at most $\varepsilon$ times the Gaussian width of $T$. In particular, the size of the approximating process is independent of both the ambient dimension and the cardinality of the original index set. This improves a recent sparsification theorem of De, Nadimpalli, O'Donnell, and Servedio (2026) by an exponential factor, and we show that the dependence on $\varepsilon$ is tight up to constants in the exponent. As consequences, we obtain an exponentially improved junta theorem for norms over Gaussian space and sharpen results on learning, property testing, and polyhedral approximation of convex sets under the Gaussian measure. The proof is based on an interpolation argument that combines Sudakov's minoration with the Brascamp–Lieb inequality.

05.
bioRxiv (Bioinfo) 2026-06-13

MoE-Bind: Guiding De Novo Protein Binder Generation with Sparse Experts

Authors:

De novo protein binder design has been dominated by structure-based pipelines that require known three-dimensional target conformations and consume substantial compute and generation time per design, limiting their throughput and accessibility for routine large-scale binder exploration. Sequence-only generative models promise a faster and lighter alternative, yet existing systems remain uniformly dense and frequently reintroduce structural computation at inference, undermining the core advantages they were intended to deliver. Across the broader language modelling community, transformers have meanwhile transitioned from fully dense designs to sparse Mixture-of-Experts architectures that decouple capacity from per-token compute, a shift that has yet to reach sequence-only protein binder generation. We present MoE-Bind, an autoregressive protein binder generator that, for the first time in this domain, combines Multi-head Latent Attention with a sparse Mixture-of-Experts feed-forward network and is evaluated under two independent structure predictors, Boltz-2 and AlphaFold2-Multimer. Despite activating less than half the per-token parameters of compute-matched dense baselines, MoE-Bind matches or exceeds them on full-length receptor-conditioned binder generation on a leakage-free Docking Benchmark 5.0 evaluation, transfers without peptide-specific training to short-peptide design, and reduces training and inference compute by a large margin. Routing analysis on generated binders reveals interpretable expert specialization at both the individual amino acid and biochemical group level, a structured expert-token alignment not previously reported for natural-language MoE models. These results show that sparse architectural design, rather than scale, can deliver fast, structure-free, and interpretable protein binder generation.

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

How long does it take to train an Elephant Random Walk

Authors:

arXiv:2509.15049v2 Announce Type: replace Abstract: We study how conditioning on the first $k$ steps, which we think of as training, affects the long-term behavior of the Elephant Random Walk. When the elephant is conditioned to be at position $k$ at time $k$, the first return time to the origin scales as $k^{(4-4p)/(3-4p)}$ in the diffusive regime, and grows exponentially in the critical regime. We loosely interpret this as a measurement of the rate at which the elephant forgets its training.

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

Evaluating and Combating the Impact of Concept Drift on the Performance of Machine Learning-Based Phishing Detection Systems

arXiv:2606.11471v1 Announce Type: cross Abstract: The expansion of the digital domain has resulted in a substantial increase in digital communication, with email emerging as one of the most prominent channels. The proliferation of email communication is apparent in both professional and personal contexts, thereby creating numerous vulnerabilities for malicious actors to exploit. Spam emails, a form of unsolicited correspondence often bearing malicious intent towards recipients, have been an ongoing challenge for email users since the inception of email technology, and this problem has been exacerbated by the growth of the digital landscape. Email spam filters are integral components of email clients, engineered to identify potentially harmful messages and alert users to their malicious content. Phishing, frequently the initial phase of malware-based attacks, is evolving rapidly, with malware becoming increasingly sophisticated over time. A widely adopted approach for detecting malicious activity within malware and spam domains is the application of machine learning. Our aim is to assess the impact of the evolution within the spam email domain on these machine learning-based detection systems and to explore strategies for mitigating associated performance degradation.

08.
Nature (Science) 2026-06-10

A thalamus–brainstem attractor network drives history-biased decisions

Authors:

Natural environments often change gradually, making it adaptive to bias decisions on the basis of the recent past — a phenomenon known as serial dependence1–3. Large-scale recordings during behaviour have identified that serial dependence is a common motif for decision-making, with neural representations of past experiences found throughout the brain4–11. However, it remains unclear whether this bias arises from dedicated neural circuits with history-specific computations. Using whole-brain, cellular-resolution imaging in zebrafish performing memory-guided evasive manoeuvres12–14, we identified a hierarchical circuit that maintains past information and biases future choices. Discrete attractors in the dorsal thalamus encoded the position of the most recent obstacle, maintaining a categorical memory via persistent activity lasting 10–20 s. Optogenetic manipulation of the dorsal thalamus abolished or imposed serial bias. A downstream hindbrain integrator received input from the thalamus and combined it with current sensory cues to produce graded responses reflecting multi-trial history. Leveraging a comprehensive brain atlas in zebrafish15, we constructed a whole-brain computational model that recapitulated behaviour and also predicted a key role for heterogeneous inhibitory subtypes in enabling flexible state transitions. This attractor–integrator architecture reveals a hierarchical and modular computation that unifies robust memory retention with flexible sensory integration, providing a general principle for history-biased decisions. Whole-brain, cellular-resolution imaging reveals a hierarchical thalamus–brainstem attractor network that encodes recent history and shapes behavioural bias in zebrafish.

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

Green AI Carbon Optimizer: Carbon-Efficient Training Location Recommendation and Global AI Energy Demand Forecasting

arXiv:2606.14707v1 Announce Type: cross Abstract: AI training and deployment consume substantial electricity, but carbon outcomes remain weakly integrated into routine model development decisions. This paper presents Green AI Carbon Optimizer with two primary contributions: (i) a carbon aware cloud region recommendation method for training workloads, and (ii) a power law forecasting pipeline for global AI energy demand. For location recommendation, we combine regional grid carbon intensity, renewable share, and data center Power Usage Effectiveness (PUE) into a unified scoring model across 100+ regions from major cloud providers. For a reference workload (8*A100, 100h), estimated emissions in our sampled regions range from 7.74kg to 272.00kg CO2. Selecting the best region instead of the worst corresponds to a 97.2% reduction relative to the worst case. Ablation shows that ranking by renewable share alone can select regions with higher CO2 emissions than rankings that include grid carbon intensity. For forecasting, we fit a power law relation between parameter count and training energy using 26 anchor models. We combine this fit with scenario assumptions on model growth, hardware efficiency, and training frequency, and evaluate sensitivity to inference ratio and ecosystem scaling. Across scenarios, projected 2030 demand ranges from 7TWh to 1,436TWh under the stated assumptions, highlighting the importance of deployment choices, model scaling discipline, and transparent energy reporting.

10.
arXiv (CS.CL) 2026-06-16

ESBMC-PLC: Formal Verification of IEC 61131-3 Ladder Diagram Programs Using SMT-Based Model Checking

PLCs execute safety-critical programs across industrial sectors. The dominant PLC notation, ladder diagram (LD) per IEC 61131-3, remains absent from formal verification: SMT-based model checkers cannot process LD's rung-and-coil graphics. This paper presents ESBMC-PLC, the first open-source formal verifier with native LD support (PLCopen XML format), implemented as a new ESBMC frontend. ESBMC-PLC translates LD rungs to GOTO IR, models the PLC scan cycle as a while(true) loop with nondeterministic inputs, and checks safety properties via SMT-based bounded model checking or k-induction. A five-property YAML language (mutual_exclusion, invariant, absence, response, reachability) avoids temporal logic. A survey of 22 studies (2020-2026) identifies four research gaps; ESBMC-PLC closes two of them. Evaluation on 13 benchmarks (6 domains, 3 sources - including deployed CONTROLLINO PLCs and MathWorks Simulink PLC Coder) shows correct classification across 61 properties: all 9 author-constructed programs (Categories A/B) as expected, all 4 vendor programs (Category C) correctly unlabeled, with 8 bugs found (actionable counterexamples), 7 unbounded k-induction proofs, all runs under 60ms on Apple Silicon. Feature comparison with PLCverif shows that ESBMC-PLC is the only open-source tool that combines native LD, k-induction, and SMT bit-vector semantics.

11.
arXiv (CS.CV) 2026-06-11

DrivingAgent: Design and Scheduling Agents for Autonomous Driving Systems

Many autonomous driving systems are increasingly incorporating foundation models to improve generalization and handle long-tail scenarios. However, this trend introduces two key challenges: (i) the manual and labor-intensive process of designing and integrating new models, and (ii) the lack of intelligent, dynamic scheduling mechanisms to meet strict real-time constraints. While Large Language Model (LLM)-based agents offer a promising avenue for automation, existing frameworks are ill-suited for autonomous driving. Specifically, they fail to distinguish between the fundamentally different requirements of system design and real-time scheduling, treat modules as opaque black boxes, and are not designed for continuous operation. To address these limitations, we propose DrivingAgent, a novel agent framework tailored to the dual challenges of autonomous driving system design and scheduling. In the design phase, DrivingAgent automates module development by interpreting system architecture, generating code, and validating modules via super-network training. In the scheduling phase, it employs a lightweight LLM trained with reinforcement learning to dynamically orchestrate system modules in real time, supported by a structured memory that integrates long-term storage with timestamped short-term context. Experimental results demonstrate that DrivingAgent achieves a superior speed–accuracy trade-off on both the nuScenes and Bench2Drive benchmarks.

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

PolyFlow: Safe and Efficient Polytope-Constrained Flow Matching with Constraint Embedding and Projection-free Update

arXiv:2606.13400v1 Announce Type: cross Abstract: While flow-based generative models have demonstrated strong performance across a wide range of domains, deploying them in safety-critical physical systems remains challenging due to strict constraint requirements. Existing approaches typically enforce safety through post-hoc corrections, which incur substantial computational overhead and may distort the learned distribution. We propose PolyFlow, a polytope-constrained flow matching framework that embeds constraints directly into the model and flow dynamics. PolyFlow introduces a discrete-time flow formulation and a projection-free architecture, which eliminate the discretization error and guarantee strict satisfaction of arbitrary polyhedral constraints, without the need for expensive iterative solvers. Experimental results show that PolyFlow achieves zero constraint violation while maintaining high distributional fidelity across a range of planning and control tasks. Compared to state-of-the-art constrained generation baselines, PolyFlow significantly reduces inference latency and demonstrates a favorable trade-off between safety, efficiency, and generative quality. Code is available on https://github.com/MJianM/PolyFlow.

13.
arXiv (CS.CV) 2026-06-12

Towards More General Control of Diffusion Models Using Jeffrey Guidance

A key strength of diffusion models lies in their flexibility, since their outputs can be controlled at sampling time through guidance. However, beyond simple cases such as conditional sampling, the target distribution is often left implicit, defined only through a sampling rule or a heuristic energy function. To address this, we propose Jeffrey guidance, a principled framework that extends diffusion-model control to applications beyond what standard guidance can express. It leverages Jeffrey's rule of conditioning to update marginal distributions towards a prescribed target, preserving the conditional structure and minimally perturbing the joint distribution. We first demonstrate Jeffrey guidance by targeting a prescribed embedding distribution. With Inception embeddings as the target, this leads to substantial reductions in FID on both CIFAR-10 and FFHQ. We further apply Jeffrey guidance to fairness on CelebA-HQ, updating an unconditional diffusion model to enforce independence between attributes.

14.
arXiv (quant-ph) 2026-06-11

Implementing Hamiltonian Renormalization Group Flow on Quantum Computers with VAPOR

arXiv:2606.11306v1 Announce Type: cross Abstract: While Hamiltonian Lattice Gauge Theory is gaining traction, today's limited numerical capacity leaves simulations affected by discretization errors. This motivates the implementation of renormalization group (RG) techniques to find discretization-error-free operators. To this end, we introduce VAPOR, a variational quantum algorithm that decomposes operators into Pauli strings, identifies RG flow orbits, and determines fixed points of a naively discretized operator. We illustrate this using a toy model of a kinematic operator in a symmetry-restricted SU(2) Yang-Mills theory.

15.
arXiv (CS.LG) 2026-06-16

Multiscale Hypersonic Boundary Layer Reconstruction via Spectral Binning and Subdomain-wise Conditional Diffusion

arXiv:2606.15023v1 Announce Type: cross Abstract: We propose a multiscale probabilistic reconstruction framework for hypersonic Couette flow, where near-wall states are inferred from limited top-wall observations using conditional diffusion model. The boundary layer is divided into overlapping wall-normal subdomains, and a single height- and Mach-conditioned Elucidating Diffusion Model (EDM) is trained jointly for M=6,7,8 to sample velocity, density, pressure, and temperature fields conditioned on a top-wall boundary slice. A soft overlap inpainting strategy assembles subdomain predictions into full-volume reconstructions while maintaining inter-subdomain continuity and small-scale variability. To improve the spectral fidelity of the generated fields, we introduce a novel bounded binned spectral power (BSP) loss that preserves high-wavenumber content while remaining numerically stable across the diffusion noise schedule. Validation against direct numerical simulation data shows that the model recovers instantaneous structures, spectra, statistical profiles, correlations, and wall quantities across all training Mach numbers, while providing spatially structured uncertainty estimates. The reconstructed Mach-conditioned profiles also collapse under the Trettel-Larsson transformation, indicating consistency with compressibility scaling. These results establish the domain decomposed conditional diffusion model with a bounded binned spectral loss as an effective probabilistic surrogate for near-wall reconstruction in hypersonic wall-bounded turbulence.

16.
medRxiv (Medicine) 2026-06-24

Model-based Detection of Spatial Disease Boundaries Using Amortized Bayesian Inference

Disease boundary analysis identifies abrupt changes in health outcomes across geographic boundaries, guiding targeted public health interventions and outbreak surveillance. Current implementations often adopt a Bayesian "wombling" approach and largely rely on Markov Chain Monte Carlo (MCMC) posterior sampling, presenting scalability issues for large-scale disease surveillance. We leverage amortized Bayesian inference (ABI) to accelerate the detection of spatial health disparities between neighboring US counties by embedding neural posterior estimation within a Bayesian areal wombling framework. Exploiting the computational efficiency of ABI, we further introduce the Residual Disparity Elimination Target, a metric for the required reduction in mortality or prevalence for a region to eliminate a significant disparity with its neighbor. We analyze tracheal, bronchus, and lung cancer mortality rates across mainland US counties and achieve results concordant with MCMC analysis while scaling areal wombling to hundreds of outcomes and translating disparity detection into interpretable policy objectives.

17.
arXiv (math.PR) 2026-06-12

Explosion and non-explosion in pure birth Crump–Mode–Jagers branching processes

arXiv:2601.06850v2 Announce Type: replace Abstract: In this short note, we provide an explicit sufficient condition for non-explosion of Crump–Mode–Jagers branching processes with pure birth reproduction. It shows that the standard sufficient condition for explosion, namely the convergence of the series of reciprocals of the birth rates, is – at least for rate sequences without excessive oscillations – remarkably close to being necessary. At the same time, it is not necessary in full generality: we construct a counterexample which also yields a general preferential attachment tree without fitness with an infinite path and no vertices of infinite degree, thereby answering an open question previously raised in the literature.

18.
medRxiv (Medicine) 2026-06-15

Iron deficiency testing among people with incident heart failure in primary care

Background: Given around 50% of people with heart failure have a degree of iron deficiency, guidelines recommend screening. It is uncertain to what extent this is done in primary care and whether testing is equitable. Aim: To report the proportion of people with incident heart failure who undergo a ferritin test within 12 months. Design and setting: Retrospective primary care cohort study using Clinical Practice Research Datalink Aurum data, between 2016 and 2021. Methods: We report the proportion of adults with an incident diagnosis of heart failure who received a ferritin test within 12 months. Multivariable logistic regression was used to examine the odds of testing based on key demographic covariates and co-morbidities. Results: Among 105,749 individuals with an incident diagnosis of heart failure (mean age 71.6 years, SD 14.3), only 35,688 (33.7%) received a ferritin test within the subsequent year. Increasing age (odds ratio 1.25 per 10-year increase, 95% CI: 1.24-1.27), female sex (male sex OR 0.86, 0.84-0.89) and Asian ethnicity (OR 1.70, 1.59-1.80) were all associated with increased odds of testing as were diagnoses of coeliac disease (OR 1.86, 1.58-2.21), type 1 diabetes (OR 1.82, 1.51-2.19) and cirrhosis (OR 1.64, 1.43-1.87). There was geographic variation in testing, even in adjusted analyses. Conclusion: In a large primary care dataset, two thirds of people with incident heart failure did not receive a ferritin test for iron deficiency within a year of diagnosis demonstrating a gap in current practice and an opportunity for improvements in service delivery.

19.
arXiv (quant-ph) 2026-06-16

Quantum Field-Theoretic Predictions of {\Psi}-Epistemic Models of Quantum Mechanics

arXiv:2605.12546v2 Announce Type: replace Abstract: {\Psi}-epistemic models of quantum mechanics imply that the quantum state does not correspond to physical reality, but instead reflects the observer's knowledge of the underlying quantum system. The epistemic view of the quantum state has the potential to shed light on several foundational problems of quantum theory and has attracted considerable attention in the literature. On the other hand, the Pusey-Barrett-Rudolph theorem demonstrated that broad classes of {\psi}-epistemic models must lead to predictions that deviate from those of quantum mechanics. Although the original theorem involved entangled joint measurements on composite systems, alternative no-go theorems involving measurements on single quantum systems were developed shortly thereafter. Experimental investigations of the deviations predicted by {\psi}-epistemic models from quantum mechanics are still ongoing. So far, such tests have been performed within the framework of non-relativistic quantum mechanics and predominantly rely on quantum information based measurement procedures. In this work, we show that {\psi}-epistemic models can give rise to deviations from standard quantum field-theoretic predictions through modifications of polarized scattering cross sections and decay widths. Our results do not require a relativistic formulation of ontological models or of the Harrigan-Spekkens criterion; the essential assumption is merely that measurements implemented through relativistic processes can still be represented within the ontological framework by well-defined response functions and probabilities. The present work constitutes a proof-of-principle study demonstrating that particle physics tests of the ontological status of the quantum state are possible and that {\psi}-epistemic models may exhibit experimentally distinguishable signatures in particle phenomenology.

20.
arXiv (math.PR) 2026-06-19

Finite-Sample Bounds for Expected Signature Estimation under Weak Dependence

arXiv:2605.20541v2 Announce Type: replace-cross Abstract: The expected signature uniquely determines the law of a random rough path under a moment-growth condition, yet finite-sample bounds for estimating its truncations from a single long dependent trajectory remain unavailable. We study a strictly stationary stochastic process equipped with a geometric rough-path lift, observed in non-overlapping blocks of equally-spaced samples, and prove a non-asymptotic mean-squared error (MSE) bound for the block-averaging estimator of its truncated expected signature. Under moment and stationarity assumptions together with a direct covariance-decay condition on block signatures – strictly weaker than $\alpha$-mixing and applicable to long-range-dependent processes – the error separates into a discretization term and a fluctuation term, with rates determined respectively by path regularity and dependence strength. A levelwise rough-factorial variance analysis keeps finite-truncation constants explicit and yields an optimal allocation rule under a fixed observation budget. We verify the assumptions for independent-coordinate fractional Ornstein–Uhlenbeck processes in three regimes: short-range (Hurst $1/41/2$. Monte Carlo experiments show empirical slopes steeper than the guaranteed upper-bound rates.

21.
arXiv (CS.CV) 2026-06-16

Double-Helix Vision (DH-V2): A Geometry-Based Visual Sampler for Bandwidth-Constrained Perception

Authors:

We present Double-Helix Vision (DH), a geometry-based visual sampler that compresses 2D images into compact 1D signals using paired golden-ratio-inspired spiral trajectories. Rather than processing every pixel uniformly, DH employs two phase-shifted helices (Alpha and Beta, offset by 180 degrees) to sample the image with biologically-inspired foveation: high density at the center, sparse coverage at the periphery. At 4K resolution, DH achieves a 1,433x compression ratio (99.93% reduction) while preserving the geometric structure of the scene. The full perception pipeline – including spatial mapping, temporal collision detection, and intra-frame structural disparity estimation – runs in 0.52 ms at 1080p on CPU-only hardware, with no neural network dependencies. On CIFAR-10 at extreme sampling budgets (K=128 points per helix), DH achieves a +6.03% accuracy gain over uniform random sampling. A JSON-serializable Robotics API is provided, delivering sub-millisecond spatial perception reports in 2.7 KB packets. Code and benchmarks are available under the MIT License.

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

Quantum-Accelerated Self-Consistent Field: A Hybrid Algorithm

arXiv:2606.20176v1 Announce Type: new Abstract: We present the Grover adaptive search self-consistent field (GAS-SCF) algorithm. GAS-SCF leverages quantum arithmetic to construct an efficient oracle that marks target states (Fock states) which improve upon some initial classical energy estimate. Amplitude amplification then increases the probability of measuring these states. This approach offers a theoretical quadratic speed-up for the optimization problem encountered in SCF quantum chemistry and establishes a baseline against which structured optimization algorithms, such as QAOA and DQI may be compared. In this work, we classically simulate three examples as proofs of concept of the algorithm, the largest consisting of 26 qubits. We then extend our analysis to two larger systems, with O3 representing the largest case at 330 qubits. These examples are chosen to probe classically challenging SCF regimes. Achieving chemically relevant applications of GAS-SCF will require large-scale, fault-tolerant quantum hardware.

23.
arXiv (CS.LG) 2026-06-19

MolGraphBench: A Benchmark of GNN Architectures for Molecular Regression Tasks

arXiv:2602.20573v3 Announce Type: replace Abstract: Molecules are often represented as SMILES strings, which can be readily converted to hand-crafted descriptors or fingerprints (FP) for molecular property prediction. Research has demonstrated that SMILES can be converted to molecular graphs $G = (V, E)$, with atoms as nodes $(V)$ and bonds as edges $(E)$. These molecular graphs can subsequently be used to train graph neural networks (GNN) models. Despite the recent surge in application of GNN (existing and novel architectures) for molecular property prediction, a rigorous benchmark is still lacking. We propose MolGraphBench, a comprehensive benchmark of four commonly used GNN models for molecular property prediction. Benchmarking results demonstrate graph convolutional network (GCN) and graph isomorphism networks (GIN) as the optimal GNN architectures for molecular graph regression tasks, based on absolute performance, training efficiency, transfer learning and prediction quality. The study also indicates the non-complementary nature of molecular fingerprints in the fusion (GNN-FP) framework. Furthermore, our GNN models achieved performance superior or comparable performance to current state-of-the-art GNN baselines across three datasets (GCN with RMSE of $0.518$ on B3DB, GIN-FP with RMSE of $1.022$ on FreeSolv and GIN with MAE of $63.783$ on RT datasets). Findings from this study indicate that type of GNN-layer, should be treated as a tunable hyperparameter rather than a fixed design choice to achieve superior performance.

24.
arXiv (CS.CV) 2026-06-18

DVANet: Degradation-aware Visual-prior Alignment Network for Image Restoration

All-in-One image restoration aims to develop a unified restoration framework for handling diverse degradation types. Existing end-to-end methods usually regard the restoration process as a black-box mapping, lacking an explicit optimization interpretation. Although deep unfolding provides an interpretable iterative modeling paradigm for image restoration, existing methods mostly rely on fixed degradation assumptions or predefined degradation information, making them difficult to adapt to unified restoration requirements under complex degradations and locally damaged content. This limitation restricts their performance in degradation suppression and structural detail recovery. To address these issues, this paper proposes DVANet, a deep unfolding network inspired by the half-quadratic splitting optimization algorithm, which formulates unified image restoration under complex degradations as a collaborative unfolding process between degradation-aware observation consistency and visual-prior-guided reconstruction. Specifically, in the degradation-aware observation consistency branch, a degradation representation module is employed to extract global degradation attributes and local degradation cues, and degradation-conditioned mapping is used to enhance the model's adaptability to different degradation types. In the visual-prior-guided reconstruction branch, DINOv3 is introduced to provide structural and semantic information as hierarchical visual priors, thereby complementing the missing structural information in damaged regions and improving detail recovery. Extensive experiments demonstrate that DVANet achieves superior or competitive performance on multi-scenario degradation and cross-domain image restoration tasks, showing favorable degradation adaptability and generalization ability.

25.
arXiv (CS.CL) 2026-06-19

Telenor Nordics Customer Service self-help corpus

Authors:

This paper presents a multilingual customer service self-help corpus comprising 1,122 manually validated documents in Finnish, Danish, Norwegian, and Swedish, totaling 274,599 words and 1,884,833 characters. The documents have been sourced from the public self-help pages of four Nordic telecommunications operators and subsequently filtered for person-identifiable information and relevance through a combined LLM and human annotation pipeline. Domain-specific datasets for Nordic languages remain scarce, particularly in customer service: a domain of growing importance for retrieval-augmented generation, cross-lingual transfer learning, and emerging agent-based service architectures. An analysis of the corpus reveals substantial variation in document length and structure across operators, reflecting distinct editorial strategies, as well as broad topical coverage spanning network hardware, mobile services, TV and streaming, billing, and account management. The dataset is publicly available under a CC-BY-NC-SA-4.0 license at https://zenodo.org/records/20732652, intended to support reproducible research in Nordic NLP and information retrieval.