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01.
arXiv (quant-ph) 2026-06-15

Physics-Informed Variational Quantum Classifier for Phase Detection in Strongly Correlated Matter

Authors:
Hugo Catal\'a↗Ezequiel Valero↗Germ\'an Rodrigo↗

arXiv:2606.14489v1 Announce Type: new Abstract: The characterisation of quantum phases in strongly correlated systems is a crucial milestone for the deployment of quantum sensors. In this work, we present a Physics-Informed Variational Quantum Classifier (VQC) designed to detect the topological phase transition between the Fermi polaron quasiparticle and the molecular bound state. Unlike conventional Machine Learning approaches, our quantum architecture is constructed via the Trotterised time-evolution of an effective Hamiltonian, ensuring that the learnable parameters correspond to interpretable physical quantities. We show that the VQC efficiently discovers the optimal interferometric protocol, specifically the evolution time and effective bath interactions required to maximise the visibility of Ramsey fringes, thereby clearly distinguishing the Bose-Einstein Condensate (BEC) and Bardeen-Cooper-Schrieffer (BCS) regimes. Furthermore, we report the validation of this classifier on the QRed superconducting quantum processor (BSC-CNS). Despite the intrinsic hardware noise and decoherence, the VQC preserves the relative ordering of the topological phases. We demonstrate that the physics-informed architecture achieves a linear gate complexity $\mathcal{O}(N)$, bypassing the exponential memory wall of classical simulation and ensuring scalability to many-body regimes.

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02.
arXiv (CS.LG) 2026-06-16

Manifold-Orthogonal Dual-spectrum Extrapolation for Parameterized Physics-Informed Neural Networks

Authors:
Zhangyong Liang↗Huanhuan Gao↗

arXiv:2603.13751v2 Announce Type: replace Abstract: Physics-informed neural networks (PINNs) have achieved notable success in modeling dynamical systems governed by partial differential equations (PDEs). To avoid computationally expensive retraining under new physical conditions, parameterized PINNs (P$^2$INNs) commonly adapt pre-trained operators using singular value decomposition (SVD) for out-of-distribution (OOD) regimes. However, SVD-based fine-tuning often suffers from rigid subspace locking and truncation of important high-frequency spectral modes, limiting its ability to capture complex physical transitions. While parameter-efficient fine-tuning (PEFT) methods appear to be promising alternatives, applying conventional adapters such as LoRA to P$^2$INNs introduces a severe Pareto trade-off, as additive updates increase parameter overhead and disrupt the structured physical manifolds inherent in operator representations. To address these limitations, we propose Manifold-Orthogonal Dual-spectrum Extrapolation (MODE), a lightweight micro-architecture designed for physics operator adaptation. MODE decomposes physical evolution into complementary mechanisms including principal-spectrum dense mixing that enables cross-modal energy transfer within frozen orthogonal bases, residual-spectrum awakening that activates high-frequency spectral components through a single trainable scalar, and affine Galilean unlocking that explicitly isolates spatial translation dynamics. Experiments on challenging PDE benchmarks including the 1D Convection–Diffusion–Reaction equation and the 2D Helmholtz equation demonstrate that MODE achieves strong out-of-distribution generalization while preserving the minimal parameter complexity of native SVD and outperforming existing PEFT-based baselines.

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03.
bioRxiv (Bioinfo) 2026-06-14

Transposable elements as evolutionary substrates of proteindisorder in the human proteome

Authors:
Mac Donagh↗Vergesio↗Aguilar↗Nores↗Lagares↗Fornasari↗M. S↗Parisi↗

Intrinsically disordered regions (IDRs) are central contributors to protein function, evolution and human disease, yet the evolutionary routes that seed new disordered segments within pre-existing proteins are still poorly understood. Sequence insertions provide a powerful mechanism for disorder expansion, but the genomic donors of inserted IDR and its long-term conformational fate remain largely unknown. Transposable elements (TEs), abundant mobile genetic elements with distinctive compositional biases, represent compelling candidates for generating disorder within proteins. Here, we systematically mapped TE-derived segments across human proteins and isoforms, and we found that these insertions are strongly enriched in intrinsic disorder. The structural consequences of their insertion are shaped by TE class and family, reflecting the sequence biases of the elements from which they originate. Recent, Primate specific insertions preferentially generate disordered segments, whereas older insertions more frequently occupy ordered structural contexts, revealing an age-dependent transition in the conformational state of TE-derived sequences. TE-containing isoforms are expressed at lower levels than TE-free isoforms, particularly when insertions are young and disorder-rich, suggesting that intrinsic disorder may constrain the cellular tolerance of newly exonized sequences. These findings identify TEs as a major evolutionary mechanism linking genome mobility to the emergence of new disordered conformational ensembles in the human proteome.

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04.
arXiv (CS.LG) 2026-06-11

SEDULity: A Proof-of-Learning Framework for Distributed and Secure Blockchains with Efficient Useful Work

Authors:
Weihang Cao↗Mustafa Doger↗Sennur Ulukus↗

arXiv:2512.13666v2 Announce Type: replace-cross Abstract: The security and decentralization of Proof-of-Work (PoW) have been well-tested in existing blockchain systems. However, its tremendous energy waste has raised concerns about sustainability. Proof-of-Useful-Work (PoUW) aims to redirect the meaningless computation to meaningful tasks such as solving machine learning (ML) problems, giving rise to the branch of Proof-of-Learning (PoL). While previous studies have proposed various PoLs, they all, to some degree, suffer from security, decentralization, or efficiency issues. In this paper, we propose a PoL framework that trains ML models efficiently while maintaining blockchain security in a fully distributed manner. We name the framework SEDULity, which stands for a Secure, Efficient, Distributed, and Useful Learning-based blockchain system. Specifically, we encode the template block into the training process and design a useful function that is difficult to solve but relatively easy to verify, as a substitute for the PoW puzzle. We show that our framework is distributed, secure, and efficiently trains ML models. We further demonstrate that the proposed PoL framework can be extended to other types of useful work and design an incentive mechanism to incentivize task verification. We show theoretically that a rational miner is incentivized to train fully honestly with well-designed system parameters. Finally, we present simulation results to demonstrate the performance of our framework and validate our analysis.

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05.
Nature Medicine 2026-06-09

Adjuvanted inactivated rabies virus-vectored Lassa virus vaccine in healthy adults: a phase 1 trial

Authors:
Justin R. Ortiz↗

Lassa fever causes substantial morbidity and mortality in West Africa, and no licensed vaccine is available. We evaluated LASSARAB, an inactivated rabies virus-vectored Lassa virus (Josiah strain) glycoprotein complex vaccine. We conducted a randomized, controlled, dose-escalation phase 1 trial. Participants (total n = 54) received two intramuscular doses of LASSARAB containing 700 (n = 15), 1,400 (n = 15) or 2,800 (n = 14) relative units of antigen formulated with the TLR-4 agonist 3D-6-acyl PHAD-SE adjuvant, or licensed rabies vaccine control (n = 10), administered 28 days apart. This protocol-defined interim analysis reports the primary safety evaluation and secondary immunogenicity assessments through day 61. There were no prespecified hypotheses or formal power calculations. All primary safety end points demonstrated an acceptable safety profile. After dose 1, local solicited adverse events occurred in 86.7–100.0% of LASSARAB groups and 80% of controls; systemic events in 33.3–71.4% and 60.0% of controls. After dose 2, local solicited adverse events occurred in 66.7–86.7% of LASSARAB groups and 55.6% of controls; systemic events in 53.3–71.4% of LASSARAB groups and 55.6% of controls. Events were predominantly mild and self-limited. Unsolicited adverse events occurred in 28.6–60.0% of LASSARAB groups and 20.0% of controls. No serious adverse event, immune-mediated condition or sensorineural hearing loss occurred. Safety laboratory abnormalities occurred in 13.3–66.7% of LASSARAB groups and 30.0% of controls (14 mild, 6 moderate and none severe). After two doses, Lassa virus GPC IgG ELISA seroconversion (≥fourfold rise) was achieved in 100.0% (44 of 44) of LASSARAB recipients and 0.0% (0 of 10) of controls. Rabies glycoprotein IgG ELISA seroconversion (≥fourfold rise) and neutralizing antibody by rapid fluorescent focus inhibition test (RFFIT) seroprotection (≥0.5 IU ml−1) were also 100% across all groups, including controls. LASSARAB + 3D-6-acyl phosphorylated hexaacyl disaccharide (PHAD)-SE demonstrated a favorable safety profile and immunogenicity against Lassa and rabies viruses. The per-protocol final study report will include safety and durability through day 394. ClinicalTrials.gov identifier NCT06546709 . An interim report of a first-in-human phase 1 trial found an adjuvanted, combination inactivated rabies-vectored, Lassa fever vaccine (LASSARAB + 3D-6-acyl PHAD-SE) to be safe and induced immunogenicity to both Lassa and rabies viruses in healthy participants.

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

Environment-Adaptive Covariate Selection: Learning When to Use Spurious Correlations for Out-of-Distribution Prediction

Authors:
Shuozhi Zuo↗Yixin Wang↗

arXiv:2601.02322v2 Announce Type: replace-cross Abstract: A common approach to out-of-distribution prediction restricts models to causal or invariant covariates to avoid spurious associations that may change across environments. Despite its theoretical appeal, this strategy can underperform empirical risk minimization when only a subset of the causal parents of the outcome is observed. In such settings, non-causal covariates can serve as proxies for unobserved causal parents and improve prediction when the proxy relationship is stable, but they can hurt when shifts disrupt that relationship. Thus, the optimal covariate set can depend on the specific shift encountered. Because different shifts leave signatures in the unlabeled covariate distribution, we propose an environment-adaptive covariate selection algorithm that maps environment-level summaries to environment-specific covariate sets. These summaries may be hand-crafted or learned from multi-environment data, and prior causal knowledge can be incorporated as constraints. Across simulations and applied datasets, the proposed method improves over static causal, invariant, and other non-adaptive rules under diverse shifts.

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07.
arXiv (math.PR) 2026-06-16

High-Order Talagrand and Eldan–Gross Inequalities via Besov-Type Variance Functionals

Authors:
Guangyue Han↗Peijie Li↗

arXiv:2606.14876v1 Announce Type: new Abstract: By introducing high-order Besov-type variance functionals that generalize the canonical variance, we develop a unified framework for proving high-order Talagrand-type inequalities that relate high-order energies to Fourier weights. Applying this machinery, we establish high-order Poincaré-type, $L^p$–$L^q$, isoperimetric-type, Falik–Samorodnitsky and Eldan–Gross inequalities, all with explicit constants, in both the Boolean and Gaussian settings. Fundamentally, our semigroup-based framework relies primarily on hypercontractivity and high-order Bismut-type derivative estimates, and is broadly applicable.

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

TelcoAgent: A Scalable 5G Multi-KPM Forecasting With 3GPP-Grounded Explainability

Authors:
Geon Kim↗Dara Ron↗Sukhdeep Singh↗Suyog Moogi↗Pranshav Gajjar↗V V N K Someswara Rao Koduri↗Een Kee Hong↗Vijay K. Shah↗

arXiv:2606.19821v1 Announce Type: new Abstract: Key Performance Measurement (KPM) forecasting is essential for proactive network management of 5G and next-generation telecom networks. However, existing machine learning (ML) approaches face significant limitations in scalability and explainability, restricting their effectiveness in real-world deployments. We propose TelcoAgent, a foundation model-based framework that enables accurate, scalable, and explainable forecasting of multiple KPMs across diverse network cells without the need for site-specific training. Specifically, the framework comprises three key components: (i) an automated three-agent pipeline that constructs a 3rd Generation Partnership Project (3GPP) knowledge graph directly from specification documents, (ii) a scalable, time-series foundation model (TSFM)-based prediction pipeline to deliver accurate, zero-shot forecasting, and finally (iii) a reasoning and explanation pipeline that provides actionable, domain-grounded diagnostics. Evaluated using a 3-month, real-world, city-scale 5G KPM dataset from a U.S.-based network operator, TelcoAgent demonstrates high forecasting accuracy for all 7 considered KPMs per cell across 200 cells, while delivering explainable insights and actionable instructions to address network degradations.

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09.
arXiv (CS.CL) 2026-06-18

LLM Parameters for Math Across Languages: Shared or Separate?

Authors:
Behzad Shomali↗Luisa Victor↗Tim Selbach↗Ali Hamza Bashir↗David Berghaus↗Joachim Koehler↗Mehdi Ali↗Markus Frey↗

Large language models (LLMs) exhibit substantial cross-lingual variation in mathematical reasoning performance, but it remains unclear whether these differences reflect language-specific parameters or a shared mechanism that manifests differently by language. We present a cross-lingual mechanistic analysis of mathematical reasoning in LLMs, enabling us to localize and compare model parameters that support mathematical reasoning across languages. We find that the extracted math-associated parameters exhibit partial cross-lingual overlap, with the strongest overlap concentrated in intermediate model layers. We further observe that English consistently produces the largest set of math-relevant parameters, whereas lower-resource languages reveal smaller sets of relevant parameters. These results suggest that math-related behavior in multilingual LLMs is neither fully language-invariant nor fully language-specific, but instead exhibits partial cross-lingual parameter overlap with systematic language-dependent differences.

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10.
arXiv (math.PR) 2026-06-19

The central heat trace on large compact classical groups

Authors:
Thibaut Lemoine↗Myl\`ene Ma\"ida↗

arXiv:2511.08288v2 Announce Type: replace-cross Abstract: We study the large-$N$ asymptotics of the central trace of the heat kernel on compact classical groups. For every classical family $G_N\subset \mathrm{GL}_N(\C)$, we prove a full large-$N$ asymptotic expansion, using a highest weights/partitions correspondence adapted to the large-rank regime, under which the eigenvalues of the Laplace–Beltrami operator stabilize as observables in the algebra of shifted symmetric functions. Then, we prove a random surface representation of the trace in terms of ramified coverings of the torus. We provide two independent applications: an explicit large-rank counting law for the Casimir spectrum, with exponential Hardy–Ramanujan-type growth in contrast with the polynomial behavior of Weyl's law at fixed rank, and a rigorous probabilistic formulation of the Yang–Mills/Hurwitz duality on a two-dimensional torus initiated by Gross and Taylor, completing a previous work of the authors. We also extend this duality to a Yang–Mills/Gromov–Witten duality by expressing the coefficients of the central heat trace as explicit functionals of the generating function of Gromov–Witten invariants.

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

Probabilistic Salary Prediction with Graph Attention Networks and a Mixture Density Network

Authors:
Zhipei Qin↗Mohammad Shokri↗N. van Weeren↗F. W. Takes↗

arXiv:2606.11663v1 Announce Type: cross Abstract: Accurate salary prediction is critical for bridging the information gap between employers and job seekers in modern labor markets. Existing approaches predominantly yield a single point estimate and treat job attributes such as location, occupation, and industry as independent categorical features, ignoring both the inherent uncertainty and multi-modality of real-world compensation data and the rich hierarchical and semantic-similarity relationships that govern pay norms. In this paper we propose GAT-MDN, a unified framework that addresses both limitations simultaneously. For each of the three attribute domains we construct a domain-specific graph whose edges encode (i) hierarchical parent-child containment and (ii) weighted similarity links derived from a pre-trained Sentence-Transformer. Parallel Graph Attention Networks (GATs) with edge-feature-aware attention learn rich, context-sensitive node representations from these multi-relational graphs. A priority-based hierarchical selection module then assembles a composite feature vector that gracefully handles missing or coarse attributes, and a Mixture Density Network (MDN) head maps this vector to the parameters of a Gaussian Mixture Model (GMM), yielding a full conditional salary distribution. Extensive experiments on a real-world Dutch job-posting dataset of over 1 million records demonstrate that GAT-MDN significantly outperforms a non-graph MLP-MDN baseline in both Negative Log-Likelihood (NLL) and Mean Squared Error (MSE).

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13.
arXiv (CS.CL) 2026-06-16

Not What, But How: A Framework for Auditing LLM Responses across Positioning, Generalization, Anthropomorphism, and Maxims

Authors:
Siddhesh Milind Pawar↗Sarah Masud↗Haneul Yoo↗Alice Oh↗Isabelle Augenstein↗

Large language models (LLMs) are being increasingly used to answer subjective, information-seeking questions, where users are sensitive to how responses are communicated, not just whether the answers are correct. Existing LLM evaluations for subjective cultural queries largely focus on factual correctness, ignoring how the response is framed. To this end, we introduce FRANZ, an automated FRAmework for respoNse characteriZation to conduct communicative audit of LLM responses along four dimensions: cultural positioning, use of generalizing language, anthropomorphic cues, and adherence to conversational maxims. To enable this evaluation, we contribute SQUARE - a corpus of 376k subjective questions sourced from 57 subreddits, and mapped to 7 countries and 19 question categories. We demonstrate FRANZ's applicability by scoring responses from three open-weight LLMs. We observe that LLMs show statistically significant differences in the frequency with which they employ each response characteristic. Unlike single-dimensional audits, FRANZ reveals that insider positioning and anthropomorphism are positively coupled, with the degree of coupling varying by country, providing a diagnostic lens for identifying framing divergences.

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14.
arXiv (CS.AI) 2026-06-18

The Long Delay to Arithmetic Generalization: When Learned Representations Outrun Behavior

Authors:
Laura Gomezjurado Gonzalez↗

arXiv:2604.13082v2 Announce Type: replace-cross Abstract: Grokking in transformers trained on algorithmic tasks is characterized by a long delay between training-set fit and abrupt generalization, but the source of that delay remains poorly understood. In encoder-decoder arithmetic models, we argue that this delay reflects limited access to already learned structure rather than failure to acquire that structure in the first place. We study one-step Collatz prediction and find that the encoder organizes parity and residue structure within the first few thousand training steps, while output accuracy remains near chance for tens of thousands more. Causal interventions support the decoder bottleneck hypothesis. Transplanting a trained encoder into a fresh model accelerates grokking by 2.75 times, while transplanting a trained decoder actively hurts. Freezing a converged encoder and retraining only the decoder eliminates the plateau entirely and yields 97.6% accuracy, compared to 86.1% for joint training. What makes the decoder's job harder or easier depends on numeral representation. Across 15 bases, those whose factorization aligns with the Collatz map's arithmetic (e.g., base 24) reach 99.8% accuracy, while binary fails completely because its representations collapse and never recover. The choice of base acts as an inductive bias that controls how much local digit structure the decoder can exploit, producing large differences in learnability from the same underlying task.

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

DEFINED: A Data-Efficient Computational Framework for Fine-Grained Creativity Assessment in Debate Scenarios

Authors:
Tongzhou Yu↗Mingjia Li↗Hong Qian↗Wenkai Wang↗Zongbao Zhang↗Yaoyu Jiang↗Xiangfeng Wang↗Aimin Zhou↗Jiajun Guo↗

Human creativity has emerged as a critical competency in the era of large language models. Assessing creativity in complex, open-ended environments is a grand challenge in data mining, currently hindered by a reliance on standardized simple tasks and the scarcity of fine-grained expert data. As an ecologically valid assessment context, debate reflects multiple dimensions of creativity, encompassing both divergent thinking and convergent thinking. Moreover, debate is a data-rich domain, with a large volume of publicly accessible materials. Current mainstream automated scoring methods are poorly suited to complex settings such as debate, and therefore still rely on costly human evaluation. To this end, this paper proposes DEFINED, a data-efficient computational framework for fine-grained creativity assessment in debate scenarios. DEFINED operationalizes debate creativity through a hierarchical eight-dimensional metric system, implemented via a pre-trained autoregressive language model with a hierarchical scoring head that supports both fine-grained and coarse-grained evaluation. Statements and their associated expert scores were obtained from authentic debate competitions, and a constrained data augmentation strategy was employed to address the elite bias inherent in the original data. DEFINED adopts a mixed-granularity training strategy enabling robust learning from limited fine-grained supervision annotated by trained graduate experts. To rigorously validate ecological validity beyond synthetic benchmarks, we incorporate an empirical study with debate-naive participants, utilizing these authentic data to serve as a qualitative case study for mid-to-low proficiency populations. Across our evaluation protocol, our scoring model achieves accurate and stable scoring, outperforming prompt-based large language model evaluators and existing debate scoring methods.

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16.
bioRxiv (Bioinfo) 2026-06-19

Sanjeevani: A manually curated anti-cancerous phytochemical database integrated with downstream analysis tools.

Authors:
Jha↗Shukla↗Shingan↗Das↗

Background: Cancer continues to pose a massive global health burden. While plant-derived phytochemicals offer promising therapeutic leads, existing natural product databases often lack cancer specificity, dataset downloadability, and integrated screening tools. Methods: We developed Sanjeevani, an integrative web platform cataloguing 4,823 curated anticancer phytochemicals. Using a balanced dataset of 9,646 molecules, we trained Support Vector Machine (SVM), Random Forest, and K-Nearest Neighbours classifiers using a hybrid feature representation of RDKit descriptors and 2048-bit ECFP4 fingerprints. The platform also integrates AutoDock Vina for web-based molecular docking for binding affinity, poses prediction and ADMET-AI for pharmacokinetics estimation. Results: The SVM model demonstrated the strongest predictive capability, achieving a top test accuracy of 0.966 and a ROC-AUC of 0.992. Benchmarking across five docking tools confirmed that AutoDock Vina successfully balanced computational automation with literature-consistent binding affinity replication. The final architecture provides rapid interactive 2D/3D visualizations integrated with downstream analysis tools. Conclusion: Sanjeevani provides an open-access, one-stop pipeline that bridges the gap between raw natural product data and actionable computational screening, accelerating natural product-based oncology drug discovery.

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17.
arXiv (CS.LG) 2026-06-12

Hierarchical Successor Representation for Robust Transfer

Authors:
Changmin Yu↗M\'at\'e Lengyel↗

arXiv:2602.12753v2 Announce Type: replace Abstract: The successor representation (SR) provides a powerful framework for decoupling predictive dynamics from rewards, enabling rapid generalisation across reward configurations. However, the classical SR is limited by its inherent policy dependence: policies change due to ongoing learning, environmental non-stationarities, and changes in task demands, making established predictive representations obsolete. Furthermore, in topologically complex environments, SRs suffer from spectral diffusion, leading to dense and overlapping features that scale poorly. Here we propose the Hierarchical Successor Representation (HSR) for overcoming these limitations. By incorporating temporal abstractions into the construction of predictive representations, HSR learns stable state features which are robust to task-induced policy changes. Applying non-negative matrix factorisation (NMF) to the HSR yields a sparse, low-rank state representation that facilitates highly sample-efficient transfer to novel tasks in multi-compartmental environments. Further analysis reveals that HSR-NMF discovers interpretable topological structures, providing a policy-agnostic hierarchical map that effectively bridges model-free optimality and model-based flexibility. Beyond providing a useful basis for task-transfer, we show that HSR's temporally extended predictive structure can also be leveraged to drive efficient exploration, effectively scaling to large, procedurally generated environments.

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18.
arXiv (CS.CV) 2026-06-15

Point Cloud Upsampling through Patch-based Frequency Superposition

Authors:
Marina Ritthaler↗Azhar Hussian↗Vasileios Belagiannis↗Andr\'e Kaup↗

In recent years, neural networks have become the dominant models in most point cloud upsampling methods. Although these approaches are achieving good results, they do have drawbacks, such as a lack of interpretability and data dependency. Moreover, they have to be trained on a dataset that is similar to the test data in order to perform well. To avoid these disadvantages, we propose Point Cloud Upsampling through Patch-based Frequency Superposition (PUtPFS), an optimization-based approach that selects subsets of points and estimates the surface of this set through superpositioning spatial frequencies. Then, new points are placed on this surface. By successively selecting points in the least dense regions of the point cloud, a uniform upsampling can be reached. With this method, we surpass the current best upsampling results in the commonly considered point-to-surface distance. Furthermore, we achieve the best Chamfer and Hausdorff distance among the optimization-based approaches. As an additional advantage, our method does not need any training data and is mathematically interpretable.

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19.
arXiv (CS.CV) 2026-06-15

Rotation-Invariant Spherical Watermarking via Third-Order SO(3) Representation Coupling

Authors:
Pengzhen Chen↗Yanwei Liu↗Xiaoyan Gu↗Antonios Argyriou↗Wu Liu↗Weiping Wang↗

Reliable watermarking of panoramic imagery is fundamentally challenged by arbitrary 3D rotations. As panoramas are defined on the sphere, they naturally transform under the action of $SO(3)$, rendering conventional planar representations and augmentation-based robustness strategies inadequate and devoid of theoretical guarantees. To address this, we formulate panoramas as spherical signals and leverage $SO(3)$ representation theory to derive provably rotation-invariant descriptors. While spherical harmonic coefficients transform equivariantly under rotations, the natural invariant constructions are typically limited to zeroth-order statistics which eliminate directional information and severely constrain embedding capacity. In this work, we introduce a principled third-order invariant construction by coupling higher-order $SO(3)$ irreducible representations via tensor products and projecting onto the trivial representation. This yields a spherical invariant bispectrum that preserves phase information while remaining strictly rotation-invariant. Leveraging this property, we embed watermarks into higher-order spherical harmonic coefficients and recover them from invariant bispectral scalars, enabling reliable extraction under arbitrary 3D rotations. We provide a theoretical proof of $SO(3)$ invariance for it and demonstrate experimentally its near-perfect robustness to continuous rotations while maintaining high visual fidelity.

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20.
arXiv (quant-ph) 2026-06-12

Hamiltonian-Aware ADAPT Variational Quantum Eigensolver for Molecular Ground-State Simulation

Authors:
Runhong He↗Chao Liu↗Xin Hong↗Qiaozhen Chai↗Junyuan Zhou↗Ji Guan↗Guolong Cui↗Shenggang Ying↗

arXiv:2606.13118v1 Announce Type: new Abstract: Designing compact ansätze in Variational Quantum Eigensolver (VQE) is crucial for solving energetic problems of practical molecules on near-term quantum devices. However, existing Adaptive Derivative-Assembled Pseudo-Trotter (ADAPT) ansätze face two challenges: improper operator selection and accumulation of degraded operators. In this paper, we propose the Hamiltonian-Aware (HA) ADAPT-VQE algorithm to address these issues. First, we establish a novel excitation operator selection criterion. It breaks the local constraint of existing criteria by incorporating Hamiltonian information, prioritizes physically meaningful excitation operators, and incurs no extra classical or quantum computational overhead. Furthermore, we develop a problem-adaptive method for discriminating and pruning redundant excitation operators stemming from improper selection and inevitable degradation. This method balances redundant operator pruning and convergence guarantee, and is applicable to ansätze with arbitrary scales. Systematic numerical experiments on typical strongly correlated molecular systems demonstrate that our HA-ADAPT-VQE avoids energy plateaus and outperforms baseline algorithms in terms of energy error, ansatz size, and measurement cost. This work offers an efficient, robust ansatz construction paradigm, facilitating the development and practical deployment of large-scale VQE in quantum chemistry.

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21.
arXiv (CS.LG) 2026-06-17

Searching Neural Architectures for Sensor Nodes on IoT Gateways

Authors:
Andrea Mattia Garavagno↗Edoardo Ragusa↗Antonio Frisoli↗Paolo Gastaldo↗

arXiv:2505.23939v2 Announce Type: replace Abstract: This paper presents an automatic method for the design of Neural Networks (NNs) at the edge, enabling Machine Learning (ML) access even in privacy-sensitive Internet of Things (IoT) applications. The proposed method runs on IoT gateways and designs NNs for connected sensor nodes without sharing the collected data outside the local network, keeping the data in the site of collection. This approach has the potential to enable ML for Healthcare Internet of Things (HIoT) and Industrial Internet of Things (IIoT), designing hardware-friendly and custom NNs at the edge for personalized healthcare and advanced industrial services such as quality control, predictive maintenance, or fault diagnosis. By preventing data from being disclosed to cloud services, this method safeguards sensitive information, including industrial secrets and personal data. The outcomes of a thorough experimental session confirm that – on the Visual Wake Words dataset – the proposed approach can achieve state-of-the-art results by exploiting a search procedure that runs in less than 10 hours on the Raspberry Pi Zero 2.

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

HGCN(O): A Self-Tuning GCN HyperModel Toolkit for Outcome Prediction in Event-Sequence Data

Authors:
Fang Wang↗Paolo Ceravolo↗Ernesto Damiani↗

arXiv:2507.22524v3 Announce Type: replace Abstract: We propose HGCN(O), a self-tuning toolkit using Graph Convolutional Network (GCN) models for event sequence prediction. Featuring four GCN architectures (O-GCN, T-GCN, TP-GCN, TE-GCN) across the GCNConv and GraphConv layers, our toolkit integrates multiple graph representations of event sequences with different choices of node- and graph-level attributes and in temporal dependencies via edge weights, optimising prediction accuracy and stability for balanced and unbalanced datasets. Extensive experiments show that GCNConv models excel on unbalanced data, while all models perform consistently on balanced data. Experiments also confirm the superior performance of HGCN(O) over traditional approaches. Applications include Predictive Business Process Monitoring (PBPM), which predicts future events or states of a business process based on event logs.

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

Calibrating Generative Models to Feature Distributions with MMD Finetuning

Authors:
Nathaniel L. Diamant↗Brian L. Trippe↗

arXiv:2606.19496v1 Announce Type: new Abstract: Generative models can produce individually plausible samples while deviating substantially from a target set in the distribution of key features. For example, a model pretrained on broad drug-like chemical space may generate molecules whose molecular features differ from those of a therapeutic class of interest, such as known antibiotics. Correcting such distributional miscalibration is challenging: direct finetuning on the target set can overfit and does not control which features are matched. To fill this gap, we introduce kernel Calibrating Generative Models (kCGM). kCGM minimizes a maximum mean discrepancy (MMD) between generated and target feature distributions using an unbiased score-function estimator, with KL regularization to remain close to the pretrained model. On a target set of 174 antibiotics, direct finetuning sacrifices chemical validity for feature-distribution matching, whereas kCGM improves target feature matching while increasing validity. We further demonstrate kCGM in protein and DNA generation tasks, showing it can adapt autoregressive, continuous-space diffusion, and discrete diffusion models using only feature-level supervision. Code is available at https://github.com/smithhenryd/cgm.

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24.
bioRxiv (Bioinfo) 2026-06-19

Evaluation of analysis modes for RNA coexpression in single-cell and bulk tissue

Authors:
Pavlidis↗Chu↗Elazzabi↗Garreau↗Xu↗Xiang Yu↗Morin↗

Coexpression of transcripts presents the most common means of computational inference of transcription factor regulation, and is often combined with other data types to infer regulatory networks. With the growing popularity of single-cell approaches, there are questions about how best to extract coexpression information from the data. Recently we reported a simulation study that explored the differences among coexpression performed at different levels: across single cells (xCell, per cell type), across subjects from pseudobulked single-cell data (xSubject, per cell type), or across subjects using bulk tissue samples (xBulk). Here we test predictions made by those models using real data. We consider both preservation (consistency of coexpression findings across different levels of analysis of the same data) and replicability across independent studies, as well as biological interpretability. We find that preservation across levels is limited, indicating the choice of analysis level will affect outcomes. We show that xCell coexpression is more replicable across studies compared to xSubject. xBulk coexpression is dominated by patterns driven by variability in cellular composition and fails to capture much coexpression that is reliably detected at finer resolutions. While all modes of analysis exhibit some enrichment for known regulatory relationships, it was highest with the xCell mode. Finally, we present a case study of the effect of analysis modes on a schizophrenia-associated pattern, reinforcing the importance of analytic choices in the interpretation and replicability of coexpression analyses. Together with our modeling study, this work emphasizes the importance of understanding sources of expression covariation as they relate to the goals of the analysis, and recommend single-cell-based data with biological replicates should be the focus of attempts to infer dynamic regulatory interactions that are more likely to be replicable by others.

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25.
arXiv (CS.AI) 2026-06-17

LoopCoder-v2: Only Loop Once for Efficient Test-Time Computation Scaling

Authors:
Jian Yang↗Shawn Guo↗Wei Zhang↗Tianyu Zheng↗Yaxin Du↗Haau-Sing Li↗Jiajun Wu↗Yue Song↗Yan Xing↗Qingsong Cai↗Zelong Huang↗Chuan Hao↗…

arXiv:2606.18023v1 Announce Type: cross Abstract: Looped Transformers scale latent computation by repeatedly applying shared blocks, but sequential looping increases latency and KV-cache memory with the loop count. Parallel loop Transformers (PLT) alleviate this cost through cross-loop position offsets (CLP) and shared-KV gated sliding-window attention, making loop count a practical design choice. We therefore study PLT loop-count selection through a gain–cost view: an extra loop may refine representations, but CLP also introduces a positional mismatch at each loop boundary. We instantiate this study by training LoopCoder-v2, a family of 7B PLT coders with different loop counts, from scratch on 18T tokens, followed by matched instruction tuning and evaluation. Empirically, the two-loop variant delivers broad gains over the non-looped baseline across code generation, code reasoning, agentic software engineering, and tool-use benchmarks, improving SWE-bench Verified from 43.0 to 64.4 points and Multi-SWE from 14.0 to 31.0 points. In contrast, variants with three or more loops regress, revealing a strongly non-monotonic loop-count effect. Our diagnostics show that loop 2 provides the main productive refinement, while later loops yield diminishing, oscillatory updates and reduced representational diversity. Because the CLP-induced mismatch remains roughly fixed as refinement gains shrink, the offset cost increasingly dominates. This gain–cost trade-off explains PLT's saturation at two loops and provides diagnostics for loop-count selection.

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