arXiv:2510.11047v2 Announce Type: replace Abstract: Laryngeal cancer imaging research lacks standardised public datasets to enable reproducible deep learning (DL) model development. We present LaryngealCT, a curated benchmark of 1,029 computed tomography (CT) scans aggregated from six collections from The Cancer Imaging Archive (TCIA). Uniform 1 mm isotropic volumes of interest encompassing the larynx were extracted using a weakly supervised parameter search framework validated by clinical experts. Six 3D DL architectures (custom 3D CNN, ResNet18,50,101, DenseNet121 and MedicalNet-pretrained ResNet50) were benchmarked on (i) early (Tis,T1,T2) vs. advanced (T3,T4) and (ii) T4 vs. non-T4 classification tasks. On the independent test set, the 3D CNN achieved the strongest overall performance across global and per-class metrics (Accuracy 0.854, F1-macro 0.841) in early vs. advanced classification. In the T4 task, AU-ROC values exceeded 0.82 for most models, but sensitivity for T4 disease remained limited (less than or equal to 0.412), with ResNet101 showing the most promising calibrated T4 recall (0.706. Model explainability assessed using GradCAMpp with thyroid cartilage overlays for T4 classification task revealed anatomically plausible peri-cartilage activations, although spatial overlap was modest. Through open-source data, pretrained models, and integrated explainability tools, LaryngealCT offers a reproducible foundation for AI-driven research to support future clinical decision-making in laryngeal oncology.
Science Journals
arXiv:2404.04355v3 Announce Type: replace-cross Abstract: Feedback optimization enables autonomous optimality seeking of a dynamical system through its closed-loop interconnection with iterative optimization algorithms. Among various iteration structures, model-based approaches require the input-output sensitivity matrix of the system to construct gradients, whereas model-free approaches eliminate this need by estimating gradients from real-time objective evaluations. These approaches offer complementary benefits in sample efficiency and accuracy against model mismatch, i.e., sensitivity errors. To achieve balanced closed-loop performance, we propose a gray-box feedback optimization controller, featuring systematic incorporation of approximate sensitivities into model-free updates via a tunable convex combination. We provide unified performance characterizations covering different approaches. We elucidate how cumulative sensitivity errors (model-based) and variances due to stochastic exploration (model-free) shape the closed-loop behavior and induce a trade-off between iteration and dimensional dependence. The proposed controller retains sample efficiency and provable (local) optimality for nonconvex problems despite inaccurate sensitivities. We further develop and characterize a running gray-box controller that handles constrained time-varying problems with changing objectives and steady-state input-output maps.
arXiv:2506.12173v2 Announce Type: replace-cross Abstract: We investigate the effects of alloying and growth orientation on the electronic properties of the ultra-wide bandgap semiconductor \beta-Ga2O3 and pseudomorphic (AlxGa1-x)2O3 alloy heterojunctions. Band offsets are computed from first principles using density functional theory (DFT) with the Heyd-Scuseria-Ernzerhof hybrid functional for different Al concentrations and four growth orientations, namely (100)B, (010), (001)B, and ($\bar{2}$01). Significant variations are found and ascribed to the strained pseudomorphic alloys. The values of the band offsets are fed into technology computer-aided design (TCAD) models of Schottky barrier diodes (SBD). I-V and C-V characteristics from the TCAD models show reasonable agreement with recent experimental measurements in the forward bias region. Discrepancies in the negative bias region are expected due to the ideality of the Schottky junctions considered in this study. Our findings underscore the critical role of growth orientation and strain in the accurate modelling of \beta-Ga2O3-based SBD.
arXiv:2512.05354v2 Announce Type: replace Abstract: The rise of 3D Gaussian Splatting has revolutionized photorealistic 3D asset creation, yet a critical gap remains for their interactive refinement and editing. Existing approaches based on diffusion or optimization are ill-suited for this task, as they are often prohibitively slow, destructive to the original asset's identity, or lack the precision for fine-grained control. To address this, we introduce SplatPainter, a state-aware feedforward model that enables continuous editing of 3D Gaussian assets from user-provided 2D view(s). Our method directly predicts updates to the attributes of a compact, feature-rich Gaussian representation and leverages Test-Time Training to create a state-aware, iterative workflow. The versatility of our approach allows a single architecture to perform diverse tasks, including high-fidelity local detail refinement, local paint-over, and consistent global recoloring, all at interactive speeds, paving the way for fluid and intuitive 3D content authoring.
arXiv:2603.10371v2 Announce Type: replace-cross Abstract: Speech tokenizers are essential for connecting speech to large language models (LLMs) in multimodal systems. Speech tokenizers are expected to preserve both semantic and acoustic information for downstream understanding and generation tasks. However, emerging evidence suggests that the term "semantic" in speech processing does not align with linguistic lexical-semantic, leading to a mismatch between speech and text modality. In this paper, we systematically analyze the information encoded by several widely used speech tokenizers, evaluating their lexical-semantic and phonetic content through three tasks. Our results show that current tokenizers primarily capture phonetic rather than lexical-semantic structure, deriving practical implications for the design of next-generation speech tokenization methods. Code is released to public at https://github.com/Alexuan/codec_probing_release.
arXiv:2603.22050v2 Announce Type: replace-cross Abstract: Supervised machine learning describes the practice of fitting a parameterized model to labeled input-output data. Supervised machine learning methods have demonstrated promise in learning efficient surrogate models that can (partially) replace expensive high-fidelity models, making many-query analyses, such as optimization, uncertainty quantification, and inference, tractable. However, when training data must be obtained through the evaluation of an expensive model or experiment, the amount of training data that can be obtained is often limited, which can make learned surrogate models unreliable. In many engineering and scientific settings, cheaper low-fidelity models may be available, for example arising from simplified physics modeling or coarse grids. These models may be used to generate additional low-fidelity training data. The goal of multifidelity machine learning is to use both high- and low-fidelity training data to learn a surrogate model which is cheaper to evaluate than the high-fidelity model, but more accurate than any available low-fidelity model. This work proposes a new multifidelity training approach for Gaussian process regression which uses low-fidelity data to define additional features that augment the input space of the learned model. Similarly to cokriging estimators, the proposed approach conditions the high-fidelity surrogate model on the predictions of all available low-fidelity surrogate models, while benefiting from the computational efficiency of autoregressive estimators. Numerical experiments on several test problems demonstrate both increased predictive accuracy and reduced computational cost relative to the state of the art.
arXiv:2511.05933v2 Announce Type: replace Abstract: Reinforcement learning (RL) is often credited with improving language model reasoning at the expense of knowledge. We challenge this narrative by showing that reasoning models consistently outperform their instruction-tuned versions on pure knowledge recall tasks. These gains do not reflect newly acquired information, but rather an improved procedural skill in navigating and searching existing knowledge hierarchies within the model parameters. Structured prompting, which explicitly guides models through hierarchical traversal -- recovers most of the instruct-reasoning gap across five model families. A controlled RL experiment on unseen, non-extractable facts improves recall of held-out frequent but previously inaccessible facts, ruling out simple data exposure. On depth-stratified retrieval tasks, reasoning models exhibit superior traversal as retrieval depth grows. Layerwise activation analysis further shows that while factual representations maintain high cosine similarity between instruct and reasoning models, query representations diverge noticeably, indicating that reasoning primarily reshapes how models traverse knowledge rather than the knowledge representation itself. Finally, we find that distilled models often fail to match reasoning models on knowledge recall because they imitate self-correction without acquiring the exploratory behavior needed for hierarchical navigation. Together, these findings suggest that improving factual recall in LLMs depends not only on expanding what models know but also on teaching them to navigate it -- motivating future post-training methods that optimize traversal.
arXiv:2606.26041v1 Announce Type: new Abstract: Vision-language models (VLMs) have achieved strong performance on OCR-based benchmarks and increasingly focused on text-rich understanding, but their robustness under controlled visual degradation remains insufficiently understood. This gap is critical for OCR reasoning, where visual corruption can induce OCR errors and structural distortions, thereby introducing uncertainty into the reasoning task. To systematically study this problem, we introduce OCR-Robust, a benchmark designed for evaluating OCR reasoning robustness under visual perturbations. It contains 812 samples across two complementary subsets: OCR1.0, covering documents, scene text, receipts, handwriting, and mathematical content, and OCR2.0, focusing on charts, geometry diagrams, and tables. To enable efficient yet informative evaluation, we conduct a pilot study over 18 candidate perturbations and select 5 representative types at 3 severity levels each based on their impact and cross-model discriminability. We evaluate robustness using clean accuracy, Relative Corruption Retention (RCR), Worst-Case Retention (WCR), and a composite Corruption Robustness Index (CRI), and benchmark 18 models spanning proprietary systems, open-source VLMs, and OCR+LLM pipelines. Our results show that higher clean accuracy does not necessarily imply stronger robustness, and that models can suffer pronounced degradation in the worst case on OCR tasks that are sensitive to structure, and charts and tables are substantially more fragile than document-like inputs under perturbation.
arXiv:2606.26050v1 Announce Type: new Abstract: Midway through an ordinary pretraining run, a small language model learns the pronoun-gender rule: cued with a girl's name ("Sue cried because"), it resolves the next pronoun to she, generalizing to held-out probes (0.94 by step 925). By step 3,500 the same model scores near zero on the same probes, although the rule's evidence is still in the training data. We call this within-run reversal natural ungrokking: the corpus decides, with no trace in the loss curve, which learned rules a model keeps. Which rules survive is predictable from one corpus statistic: how often the training stream shows the rule winning. Across un-intervened runs (two corpora, three budgets, three seeds), support frequency decides a rule's fate; the data-to-parameter ratio only modulates how deeply a doomed rule falls. The same emerge-then-collapse dynamics appear in public Pythia checkpoints, collapse depth ordered by model scale as predicted. The forgetting is a displacement: a competing surface pattern out-competes the rule, and the log-probability margin between them crosses zero within 100 training steps of the behavioral collapse. Control over this fate is asymmetric: the same edit that destroys a rule on demand cannot restore it. Flipping support to counter-evidence in place kills the rule with monotone dose-response in two unrelated rules; but injecting support back, even to 450 times the level that naturally sustains it, buys no recovery. Every confirmatory threshold and prediction was pre-registered before the data it governed was read.
arXiv:2606.22051v2 Announce Type: replace Abstract: Monocular and RGB-D visual-inertial SLAM systems remain susceptible to limited field of view, sensor-specific failure modes, and unreliable cross-session relocalization. To address these issues, we present GeoFlow-SLAM++, a tightly coupled multi-camera visual-inertial SLAM system that extends GeoFlow-SLAM from a single RGB-D sensor to a calibrated multi-camera rig with a unified body-centric formulation. Within this multi-camera framework, GeoFlow-SLAM++ supports two interchangeable visual front-ends: a conventional ORB front-end and a neural network feature (NN-Feature) front-end built on SuperPoint and LightGlue. The system unifies tracking, mapping, and relocalization on a shared body state, and combines multi-camera reprojection constraints, IMU pre-integration, cross-view place recognition, and dual-stream optical flow/NN-Feature tracking for robust localization. As an optional extension, the system can further incorporate cross-view-consistent pseudo-depth predictions from RGB images as auxiliary geometric constraints. We evaluate GeoFlow-SLAM++ on EuRoC, OpenLORIS, TUM, Hilti, and a self-collected handheld multi-camera dataset. Results show that the NN-Feature front-end improves robustness in appearance-challenging scenarios, the multi-camera formulation achieves competitive localization accuracy on Hilti, and the unified cross-view relocalization design reaches LiDAR-comparable performance on the handheld dataset.
arXiv:2606.22072v2 Announce Type: replace Abstract: Apparent emotion in natural images is often not visible from the face alone. The face may be small, hidden, or neutral, while posture and scene context carry much of the evidence. This work studies context-aware emotion recognition on EMOTIC with an image-only two-stream model. A ResNet-18 body stream encodes the target-person crop, and a CLIP ViT-B/16 scene stream encodes the full image. The fused feature predicts 26 categorical emotion labels and the continuous valence, arousal, and dominance values. This study examines whether small context-debiasing or rare-class training changes still help after adding a CLIP scene encoder. The clean two-stream model is compared with simplified CCIM-style intervention, CLEF-lite context-bias subtraction, ASL tuning, and class-balanced sampling under the same implementation pipeline. No tested variant improves over the clean two-stream model, which achieves 34.52% mAP on the EMOTIC test split. CLIP gives the model broad scene semantics, but the simplified causal, counterfactual, and rare-class changes do not automatically improve performance. Most remaining errors are in rare and subtle emotion categories, so the next step should focus on label relationships and finer subject-context interaction.
arXiv:2606.25302v1 Announce Type: new Abstract: We construct a convex polygon for which the minimum-weight Steiner triangulation requires an interior Steiner point. This provides a counterexample to a 1994 conjecture of Eppstein that minimum-weight Steiner triangulation of convex polygons needs only Steiner points on the boundary of the polygon.
arXiv:2606.25064v1 Announce Type: cross Abstract: The quantum geometry of electronic, photonic, and atomic lattice systems quantifies the distance in Hilbert space between Bloch states at neighboring lattice momenta. This quantity has profound implications for flat-band systems especially, characterizing surprising behavior such as superfluidity and superconductivity when the group velocity is zero and no transport would be expected for non-interacting particles. However, when the band is not flat, the effects of quantum geometry are often intertwined with and partly masked by the band dispersion. Here, we show that in weakly interacting bosonic systems in the critical dimension (i.e., two dimensions for Kerr nonlinearity), the deviation from critical behavior due to the presence of the lattice is governed by the quantum geometry, which is directly proportional to the fourth-order dispersion. Furthermore, we identify the family of continuous lattice potentials that saturates the bound on the quantum metric for a given effective mass tensor.
arXiv:2606.25181v1 Announce Type: cross Abstract: Early identification of speech sound errors in children is often limited by access to specialists, motivating lightweight screening tools that can operate outside the clinic. We present a screening pipeline for Polish-speaking children focused on sibilant substitutions, coupling a wav2vec2-based CTC token recognizer with alignment-based error typing and a template-grounded caregiver assistant for screening, not diagnosis. On a held-out test set of 10 unseen children comprising 559 utterances, the recognizer achieves 88.7 percent exact sequence match. As a conservative screening proxy, we flag a mismatch when the system emits substitution-evidence bracketed tokens at the target segment, yielding 72.9 percent precision, 61.4 percent recall, F1 = 0.67, and a 2.7 percent false-alarm rate on target-correct items. We describe the assistant's safety boundaries and outline a clinician-in-the-loop validation plan for future deployment.
arXiv:2606.25328v1 Announce Type: new Abstract: Large speech foundation models have shown strong potential for speech deepfake detection, but direct fine-tuning is limited by a mismatch between self-supervised pre-training objectives and spoof-specific artifacts. To address this, we propose a mix-frame post-training strategy to create localized spoof-oriented perturbations and use frame-level supervision to encourage the SSL model to learn local inconsistencies that are critical for robust spoof detection. On ASVspoof5, we achieve state-of-the-art EER 4.50% for a single model without data augmentation. On ASVspoof2021 LA/DF, it further achieves only 0.16\% absolute EER gap between LA and DF, indicating strong and balanced robustness across distinct distortion conditions. These results show that supervised post-training provides an effective and practical way to adapt speech foundation models for robust deepfake detection.
arXiv:2605.02384v3 Announce Type: replace Abstract: The rise of Large Language Models (LLMs) has increased the demand for Conversational Agents (CAs) capable of understanding human conversations as part of web applications. While traditional CAs consist of deterministic states, LLMs enhance their capabilities to handle open conversations, handling arbitrary requests. Numerous tools exist that allow non-technical users to create such CAs. Yet, the creation of personalized CAs able to adapt to the profile of end-users to offer an optimal user experience remains in the hands of experienced developers implementing ad-hoc personalizations. In this work, we propose a pipeline that follows a low-code/no-code approach to facilitate the modeling and generation of personalized CAs. A pilot user study was performed to get preliminary results on perceived usability and usefulness and the full pipeline has been implemented on top of an open-source low-code platform.
arXiv:2403.16972v2 Announce Type: replace-cross Abstract: Amorphous materials, especially metallic glasses, are known for their exceptional mechanical properties, such as high yield strength and large yield strain. Understanding the microscopic mechanisms behind their failure, particularly the yielding transition, remains an active area of research. Previous studies have shown that yielding behavior depends on the initial age of the sample. Through extensive computer simulations, we demonstrate that this age dependence varies across different materials and is influenced by the specific characteristics of the initial glass former, particularly its fragility. Both strong and fragile glass formers exhibit similar yielding behaviour in poorly annealed conditions with a critical yield strain, $\gamma_c$ that does not depend on the initial conditions. However, below a critical degree of annealing, the yield point increases significantly with further annealing for fragile glasses, while it remains relatively constant for strong glasses. The results are found to be universal across a wide variety of model glassy systems with varying fragility, including metallic glasses, molecular glasses, model granular glasses, and network-forming glasses like Silica. We rationalise these findings by introducing a modified mean-field elastoplastic model that explicitly incorporates the crucial role of changing energy barrier with increasing annealing in the yielding process. This simple model reproduces all the simulation results and provides critical insights into how energy barriers influence the physics of the yielding transition including the critical yield strain under oscillatory shear deformation.
arXiv:2606.24893v1 Announce Type: new Abstract: For agents to learn continuously from interaction with the world at test time, they must be able to explore effectively, acquire new world knowledge and skills, retain relevant episodic experiences, and plan over long horizons. To evaluate these key abilities of test-time continual learning agents, we introduce AgentOdyssey, a novel evaluation framework that procedurally generates open-ended text games with rich entities, world dynamics, and long-horizon tasks. Critically, AgentOdyssey goes beyond the conventional machine learning assumption that learning does not occur at test time by placing agents in a continuous, long-horizon setting that interleaves learning and inference throughout deployment. We further propose a multifaceted evaluation methodology that measures not only game progress but also offers diagnostic tests on world knowledge acquisition, episodic memory, object and action exploration, action diversity, and model cost. We evaluate diverse agent paradigms in the generated games. Our experimental results reveal critical limits in agents' key abilities, as well as factors that influence their meaningful horizon. Although performance scales with stronger base models, even the top agent remains far below human performance, leaving substantial headroom for improvement. Among agent mechanisms, we find that short-term memory benefits multiple agent paradigms and is an important component of agent test-time training.
Paid Voices vs. Public Feeds: Interpretable Cross-Platform Theme-Based Analysis of Climate Discourse
arXiv:2601.13317v2 Announce Type: replace Abstract: Climate discourse online shapes public understanding of climate change and informs political and policy debate, yet it unfolds across structurally different environments: paid advertising platforms host targeted, institutionally produced messaging, while public social media reflects largely organic, user-driven discussion. We present a comparative analysis of climate discourse across paid advertisements on Meta (previously Facebook) and public posts on Bluesky from July 2024 to September 2025. To support it, we develop an interpretable thematic discovery pipeline that clusters texts by semantic similarity and uses large language models (LLMs) to label clusters with concise, human-interpretable themes, requiring no predefined topic inventory or seed set. Using these themes, we find the two environments diverge systematically: paid advertising centers on strategic promotion of specific solutions in a formal, forward-looking register, whereas organic discourse centers on systemic critique in a crisis-oriented, scientifically grounded one. We also evaluate the utility of the discovered themes through downstream stance prediction and theme-guided retrieval tasks. While our analysis focuses on climate communication, the framework generalizes to comparative thematic analysis across heterogeneous communication environments.
arXiv:2606.18936v2 Announce Type: replace Abstract: Large language models (LLMs) are increasingly embedded in AI for Science (AI4Science) workflows, from scientific question answering and literature analysis to laboratory planning and autonomous discovery. This progress creates an urgent need for safety benchmarks that evaluate not only scientific competence, but also whether models recognize and avoid risks in high-stakes scientific contexts. Existing AI4Science safety datasets cover several disciplines and task formats, leaving the underlying risk dimensions underspecified. We introduce \textbf{SciRisk-Bench}, a benchmark designed to evaluate AI4Science safety from two complementary perspectives: explicit risk dimensions and scientific disciplines. SciRisk-Bench covers 7 disciplines, 31 subdisciplines and 10 risk dimensions. In the experimental section, we evaluate both mainstream LLMs and science-oriented LLMs across risk dimensions, disciplines, and sub-disciplines, enabling fine-grained diagnosis of where scientific models remain unsafe.
arXiv:2504.09158v3 Announce Type: replace-cross Abstract: Gravitational waves and ultralight dark matter are among the most compelling frontiers in fundamental physics, motivating proposals for Very Long-Baseline Atom Interferometers (VLBAIs) such as AION, MAGIS, AICE and AEDGE that aim to detect frequencies at which ground-based and space-borne laser interferometers lose sensitivity. VLBAIs look for signals by comparing the quantum phase evolution of widely separated atomic ensembles interrogated by a common laser. However, their performance depends critically on suppressing noise sources, particularly laser phase noise. Experimental validation of such noise rejection remains an important challenge. Here we demonstrate a prototype differential atom interferometer based on the single-photon clock transition of fermionic 87Sr, realising for the first time a gradiometer configuration with a species intrinsically suited to kilometre-scale and space-baseline operation. The instrument operates at the Standard Quantum Limit with no excess noise beyond atom shot noise, and the differential configuration maintains quantum-limited sensitivity in the presence of several radians of artificially injected laser phase noise per shot, emulating the conditions expected in a VLBAI. We further demonstrate recovery of coherent oscillatory signals across a broad frequency range under fully phase-randomised conditions, a capability that is inaccessible to a single interferometer operating in the same regime. These results provide an experimental validation of the noise-immune measurement principle underlying VLBAIs and mark an important step towards next-generation quantum sensors for gravitational-wave detection and searches for ultralight dark matter.
arXiv:2201.01973v3 Announce Type: replace-cross Abstract: The problem of linear predictions has been extensively studied for the past century under pretty generalized frameworks. Recent advances in the robust statistics literature allow us to analyze robust versions of classical linear models through the prism of Median of Means (MoM). Combining these approaches in a piecemeal way might lead to ad-hoc procedures, and the restricted theoretical conclusions that underpin each individual contribution may no longer be valid. To meet these challenges coherently, in this study, we offer a unified robust framework that includes a broad variety of linear prediction problems on a Hilbert space, coupled with a generic class of loss functions. Notably, we do not require any assumptions on the distribution of the outlying data points ($\mathcal{O}$) nor the compactness of the support of the inlying ones ($\mathcal{I}$). Under mild conditions on the dual norm, we show that for misspecification level $\epsilon$, these estimators achieve an error rate of $O(\max\left\{|\mathcal{O}|^{1/2}n^{-1/2}, |\mathcal{I}|^{1/2}n^{-1} \right\}+\epsilon)$, matching the best-known rates in literature. This rate is slightly slower than the classical rates of $O(n^{-1/2})$, indicating that we need to pay a price in terms of error rates to obtain robust estimates. Additionally, we show that this rate can be improved to achieve so-called "fast rates" under additional assumptions.
arXiv:2310.09149v3 Announce Type: replace-cross Abstract: We study the approximation of probability measures in the Wasserstein-$p$ distance by structured classes of approximators, motivated by applications in imaging, machine learning, and physical measurement under sensor constraints. We obtain three sets of results. First, for measures with densities bounded away from zero on a bounded Lipschitz domain $\Omega$, we prove that any approximation scheme for functions in $\mathrm{L}_p(\Omega)$ transfers, with linear rate, to a corresponding approximation scheme for measures in $\mathrm{W}_p(\Omega)$. The argument applies a theorem of Bogovskii on regularity of solutions to the continuity equation in the Benamou-Brenier formulation of optimal transport. We exhibit concrete approximation schemes (polynomials, shift-invariant spaces, cardinal interpolation with radial basis functions, kernel density estimators, and piecewise approximations on nonuniform Voronoi partitions) that fit the framework. As a matter of independent interest, we prove a negative Sobolev lower bound that generalizes existing bounds from $p=2$ to all $p\in(1,\infty)$. We also consider deterministic bounds for discrete approximations to arbitrary measures in terms of the mesh norm of a quasi-uniform set of points. We specialize these bounds to show that compactly supported measures admit a deterministic $N$-term approximation $\mu_N$ such that $\mathrm{W}_p(\mu,\mu_N) = O(N^{-\frac{1}{d}})$ for all $d\geq 1$, which matches the asymptotic optimal quantizer rate. We also extend these results to non-compactly supported measures with appropriate tail decay.
arXiv:2606.19600v2 Announce Type: replace Abstract: Diamond hosts optically active point defects central to quantum technologies, yet the carbon self-interstitials introduced during growth and irradiation compete with them and form new defects whose configurational landscape is poorly charted, as subtle energy differences govern the competing minima and pathways. Here we build an interstitial-focused dataset by active learning and benchmark three machine-learning interatomic potentials -- GAP, NEP and the equivariant MACE -- against density functional theory for energies, forces and migration barriers. MACE reproduces the reference energetics and relative stabilities, whereas the others can misorder the ground states. Annealing molecular dynamics with the validated potentials uncovers a series of previously unreported carbon interstitial clusters, from di- to octa-interstitials -- several introducing in-gap states of interest as colour centres -- and shows that their metastability is governed by kinetically accessible pathways rather than energetic ordering. These results chart the interstitial defect landscape and accelerate defect discovery for quantum technologies.
arXiv:2505.03719v5 Announce Type: replace-cross Abstract: In this paper, we focus on a class of decentralized constraint-coupled optimization problem: $\min_{x_i \in \mathbb{R}^{d_i}, i \in \mathcal{I}; y \in \mathbb{R}^p}$ $\sum_{i=1}^n\left(f_i(x_i) + g_i(x_i)\right) + h(y) \ \text{s.t.} \ \sum_{i=1}^{n}A_ix_i = y$, over an undirected and connected network of $n$ agents. Here, $f_i$, $g_i$, and $A_i$ represent private information of agent $i \in \mathcal{I} = \{1, \cdots, n\}$, while $h$ is public for all agents. Building on a novel dual$^2$ approach, we develop two accelerated algorithms to solve this problem: the inexact Dual$^2$ Accelerated (iD2A) gradient method and the Multi-consensus inexact Dual$^2$ Accelerated (MiD2A) gradient method. We demonstrate that both iD2A and MiD2A can guarantee asymptotic convergence under a milder condition on $h$ compared to existing algorithms. Furthermore, under additional assumptions, we establish linear convergence rates and derive significantly lower communication and computational complexity bounds than those of existing algorithms. Several numerical experiments validate our theoretical analysis and demonstrate the practical superiority of the proposed algorithms.