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01.
arXiv (quant-ph) 2026-06-11

Bound State Solutions of the Relativistic Finite-difference Equation for the Ring-shaped Quesne Oscillator Potential

Authors:
Sh. M. Nagiyev↗Narmin Nasibova↗V. A. Tarverdiyeva↗G. H. Guliyeva↗

arXiv:2606.12082v1 Announce Type: new Abstract: We solve exactly the relativistic finite-difference equation for the quantum three-dimensional ring-shaped Quesne oscillator potential. Our investigation is based on a finite-difference version of relativistic quantum mechanics. So-called relativistic configurational r-space is a key concept here. We show that the radial wavefunctions and angular wavefunctions are expressed through the continuous dual Hahn polynomials and Jacobi polynomials, respectively. A discrete energy spectrum has been found. The radial wave functions and energy spectrum have the correct nonrelativistic limit. We also build a dynamical symmetry group SU (1, 1) for the radial part of the equation of motion, which allows us to find the energy spectrum purely algebraically.

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

UtVAA: Ultra-tiny Vision Transformer with Affix Attention for Mobile Image Classification

Authors:
Romiyal George↗Sathiyamohan Nishankar↗Selvarajah Thuseethan↗Roshan G. Ragel↗

Vision Transformers (ViTs) have demonstrated strong representation capability in image classification. However, their quadratic self-attention complexity and large parameter counts limit deployment on resource-constrained mobile and edge devices. This paper introduces UtVAA, an ultra-tiny Vision Transformer architecture designed for efficient visual recognition under strict computational budgets. It incorporates a novel Affix Attention block that combines depthwise-pointwise local feature extraction, linear self-attention, coordinate attention for spatial dependency modelling, and a lightweight ternary fusion strategy to integrate local and global representations. In addition, Dilated Bottleneck blocks expand the receptive field using dilated depthwise separable convolutions while maintaining low FLOPs and stable optimisation through residual connections. UtVAA is implemented in scalable Tiny, Medium, and Large variants, with the smallest model containing 204.67K parameters and 53.95M FLOPs. Experimental results on CIFAR-10, CIFAR-100, PlantVillage-Tomato and SLIF-Tomato datasets show that UtVAA achieves competitive accuracy within a sub-million-parameter regime. Overall, the results demonstrate that transformer-based vision models can be redesigned into ultra-tiny architectures without significant loss in discriminative performance, making UtVAA suitable for mobile and edge deployment. Code is available at https://github.com/romiyal/UtVAA

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03.
Nature (Science) 2026-06-18

Daily briefing: The proteins that protect us from deadly mutations

Authors:
Flora Graham↗

Proteins that ‘buffer’ the effects of mutations could help to treat diseases such as cancers. Plus, goats can follow human voices and the battle over a key ocean observatory project in the United States. Proteins that ‘buffer’ the effects of mutations could help to treat diseases such as cancers. Plus, goats can follow human voices and the battle over a key ocean observatory project in the United States.

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05.
arXiv (CS.CL) 2026-06-15

Small LLMs: Pruning vs. Training from Scratch

Authors:
Yufeng Xu↗Taiming Lu↗Kunjun Li↗Jiachen Zhu↗Mingjie Sun↗Zhuang Liu↗

Pruning promises a shortcut to strong small language models. In this work, we examine this promise by pruning Llama-3.1-8B at pruning ratios of 0.5–0.8 with six methods spanning depth, width, and sparse granularities, under two controlled token-matched settings. (1) With the same training token budget, pruned initialization consistently outperforms random initialization. This shows that the parent model provides a strong starting point, although the advantage narrows as the training token budget grows and as the pruning ratio rises, nearly vanishing at the highest pruning ratio we study. (2) When training from scratch is instead given the full token budget consumed by the whole pipeline, pruning at finer granularities still retains an advantage, while coarser structured pruning can be matched or surpassed. This suggests that the parent model transfers knowledge that additional training tokens alone cannot fully recover, but only at fine granularity. Taken together, our results yield a clear recommendation: with a large pretrained model in hand and a limited training token budget, pruning is better than training from scratch; when the training budget is not limited, training from scratch can be competitive for coarser pruning, so a large pretrained parent is not always necessary.

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06.
arXiv (CS.LG) 2026-06-25

Efficient Analytic Uncertainty Quantification for Multi-Modal Regression

Authors:
Kun Jin↗James Harrison↗Jiawei Li↗Sihan Liu↗Jiayi Liu↗Randolph Linderman↗Yuening Li↗Arnab Bhadury↗Sourabh Prakash Bansod↗Liang Liu↗Jasper Snoek↗

arXiv:2606.25188v1 Announce Type: new Abstract: Efficient uncertainty quantification (UQ) is essential for trustworthy large-scale learning. Existing UQ methods for regression tasks mainly operate under the assumption that the conditional label marginal satisfies single-peak parametric models, e.g., Gaussians, where the negative log-likelihood function simplifies to the mean square error. However, such single-peak assumptions fail in regression tasks featuring multi-modal distributions. On the other hand, semi-parametric methods which achieve strong regression performance for multi-modal distributions often lack efficient quantification on their prediction variances. In this work, we extend UQ techniques based on Variational Bayesian Inference (VBI) to two widely used semi-parametric regression models that yield histogram-like reconstructions of the conditional label densities: Quantile Regression (QR) and Classification Restoration (CR). Our approach introduces a unified, distribution-agnostic framework that simultaneously achieves accurate estimation of complex conditional distributions and highly efficient UQ. Theoretically, our method is grounded in novel formulations of QR and CR within the VBI framework, yielding analytic Evidence Lower Bounds (ELBO) to streamline training and a closed-form or analytically approximated predictive density for efficient inference. Empirically, we evaluate our methods on three large-scale regression benchmarks with multi-modal label distributions. Our framework outperforms state-of-the-art multi-modal regression baselines, and even matches predictive performance of computationally expensive ensemble models. Furthermore, by leveraging epistemic uncertainty estimation, our approach enables highly data-efficient active learning strategies.

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

Brownian Kernel Ladders

Authors:
Mahdi Mohammadigohari↗Giuseppe Di Fatta↗Giuseppe Nicosia↗Panos M Pardalos↗

arXiv:2606.15812v1 Announce Type: new Abstract: Constructing mathematically tractable function spaces that capture hierarchical compositional representations remains a central challenge in statistical learning theory. We introduce Brownian kernel ladders (BKLs), a recursively defined hierarchy of integral reproducing kernel Hilbert spaces generated through Brownian-kernel integral constructions. Starting from linear functionals, each layer is obtained by integrating Brownian kernels over probability measures supported on subsets of the previous layer, yielding a recursive function-space model in which depth is encoded directly through the hierarchy. Based on this framework, we define canonical BKL spaces together with an associated complexity functional. We establish several analytical and statistical properties of these spaces. In particular, we show that BKL spaces form quasi-Banach spaces, satisfy depth-dependent Hölder regularity estimates, and exhibit strict monotonicity with respect to depth. We further prove existence results for regularized empirical risk minimization and derive Gaussian complexity bounds that remain uniformly controlled with respect to both the ambient dimension and the hierarchy depth. A key ingredient of the analysis is a combinatorial proof technique based on recursive subset decompositions and Brownian-kernel threshold representations. These estimates yield excess-risk guarantees of near-parametric order for regularized empirical risk minimization over BKL spaces. Our results provide a mathematically tractable hierarchical function-space framework for studying compositional representations in deep learning.

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08.
arXiv (CS.AI) 2026-06-18

Graph Grounded Cross Attention Transformer Neural Network for Structurally Constrained Full Event Sequence Generation in Predictive Process Monitoring

Authors:
Fang Wang↗Ernesto Damiani↗

arXiv:2606.18726v1 Announce Type: cross Abstract: Structurally constrained event sequence generation remains challenging because generated paths must preserve transition feasibility, temporal order, termination, and attribute consistency. In predictive process monitoring (PPM), this challenge appears as full event sequence generation, whereas existing work mainly addresses component tasks such as next activity, remaining time, outcome, and attribute prediction. This paper proposes the Graph Grounded Cross Attention Transformer Neural Network (GGATN) for this unified PPM task. GGATN uses a global process graph as structured activity memory, contextualizes sequence positions through Transformer self attention, and injects process topology through graph grounded cross attention. Unlike autoregressive decoding, GGATN generates activities, timestamps, length, and event level and sequence level attributes in a single pass, followed by Viterbi style graph constrained decoding for feasible paths and explicit termination. Experiments on six benchmark event logs show more reliable generation quality than local instruction prompted LLM baselines. GGATN achieves strong performance on sequence similarity, Damerau Levenshtein similarity, bigram based control flow similarity, and duration distribution, while maintaining zero hallucinated activities and zero sequence level attribute inconsistency. Ablation analyses confirm the global graph encoder as a stable structural prior. Interpretability analyses show how graph structure, sequence context, feedback refinement, and constrained decoding shape generation.

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09.
arXiv (CS.AI) 2026-06-25

Internal Data Repetition Destroys Language Models

Authors:
Jessica Chudnovsky↗Joshua Kazdan↗Noam Levi↗Rylan Schaeffer↗Yegor Denisov-Blanch↗Bo He↗Mehmet Donmez↗Sanmi Koyejo↗David Donoho↗

arXiv:2606.24998v1 Announce Type: cross Abstract: Language models are running out of high-quality training data, and even aggressively deduplicated corpora retain some amount of repetition. Earlier controlled studies predated Chinchilla-style scaling laws and could only measure the cost of repetition indirectly. We revisit repetition in the Chinchilla era, using a fitted no-repetition scaling law to report Compute-Equivalent Gain and Compute-Equivalent Loss. We show that under this modernized paradigm, repetition damage is systematic in three ways. First, holding compute allocated to repeated data constant, eval loss peaks at an intermediate repeat count $\Rep$; repeating a moderately sized subset a moderate number of times damages performance more than repeating a large subset a few times or a small subset many times. Second, the location of this peak is well-fit by a power law in model size; this scaling law reveals that the most damaging number of repeated data grows more quickly than compute. Finally, when repeated documents consume 10\% of the FLOPs budget in a controlled exact-document repetition setting, the compute-equivalent loss can be large: on FineWeb-Edu-Dedup, the most damaging repeat count for a Qwen3-style 344M-parameter model at $\operatorname{OT}=1$ matches the loss of a no-repetition run using 67% of the FLOPs. We demonstrate that these phenomena are not language-model-specific, and can be analytically understood in a simple statistical model: a misspecified linear regression with verbatim duplicates reproduces the same qualitative loss peak, quantifying how such peaks can arise from a statistical tradeoff between memorization and generalization. Our findings add precision to the study of duplication in language models, allowing practitioners to quantify the wasted compute incurred by the presence and repeat structure of duplicates in pretraining corpora.

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10.
arXiv (CS.AI) 2026-06-25

Low-Complexity Policy Tessellations in Structured Markov Decision Processes

Authors:
Fredy Pokou↗

arXiv:2606.25593v1 Announce Type: cross Abstract: We study optimal-policy geometry in structured Markov decision processes. While approximate dynamic programming and reinforcement learning typically approximate high-dimensional value functions, we show that optimal policies induce simpler decision tessellations. We propose boundary-based policy approximations that learn policy regions directly. A policy-loss decomposition links performance degradation to action margins and explains why errors concentrate near indifference boundaries. Inventory control and queue admission experiments show lower policy error, smaller value gaps, faster error decay, and stability than reinforcement learning baselines.

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

Protein Design with Agent Rosetta: A Case Study for Specialized Scientific Agents

Authors:
Jacopo Teneggi↗S. M. Bargeen A. Turzo↗Tanya Marwah↗Alberto Bietti↗P. Douglas Renfrew↗Vikram Khipple Mulligan↗Siavash Golkar↗

arXiv:2603.15952v2 Announce Type: replace Abstract: Large language models (LLMs) are capable of emulating reasoning and using tools, creating opportunities for autonomous agents that execute complex scientific tasks. Protein design provides a natural testbed: although machine learning (ML) methods achieve strong results, these are largely restricted to canonical amino acids and narrow objectives, leaving unfilled need for a generalist tool for broad design pipelines. We introduce Agent Rosetta, an LLM agent paired with a structured environment for operating Rosetta, the leading physics-based heteropolymer design software, capable of modeling non-canonical building blocks and geometries. Agent Rosetta iteratively refines designs to achieve user-defined objectives, combining LLM reasoning with Rosetta's generality. We evaluate Agent Rosetta on design with canonical amino acids, matching specialized models and expert baselines, and with non-canonical residues – where ML approaches fail – achieving comparable performance. Critically, prompt engineering alone often fails to generate Rosetta actions, demonstrating that environment design is essential for integrating LLM agents with specialized software. Our results show that properly designed environments enable LLM agents to make scientific software accessible while matching specialized tools and human experts.

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12.
arXiv (CS.CL) 2026-06-11

AI Coding Agents in Social Science: Methodologically Diverse, Empirically Consistent, Interpretively Vulnerable

Authors:
Meysam Alizadeh↗Fabrizio Gilardi↗Mohsen Mosleh↗Enkelejda Kasneci↗

The deployment of LLM-based agents in scientific analysis raises opposing concerns: that agents may reduce methodological diversity, or that they may amplify the analytic flexibility through which researchers reach motivated conclusions. We argue these worries target two empirically separable layers: a design layer of methodological choices, and a verdict layer in which a decision rule maps estimates to a substantive claim. We test both by running 20 independent executions of Claude Code and Codex on a prominent immigration and social-policy against a many-analysts human baseline. At the design layer, Codex matches human methodological diversity and Claude Code produces nearly three times as many specifications; both agents' effect estimates remain broadly aligned with the human consensus, and no agent model exactly matches any human model. A prompt-induced anti-immigration researcher prior reorganizes each agent's methodological decisions but, unlike for biased human analysts in the same data, does not shift aggregate estimates or final verdicts; nor do agents reroute along the methodological axes humans use to bias their estimates. At the verdict layer, an explicit confirmatory prompt flips Claude Code's verdicts from 10% to 90% support while leaving its coefficient distribution essentially unchanged, operating through rule omission rather than rule softening. AI agents can rival or exceed human methodological diversity at the design layer while remaining vulnerable at the verdict layer. In our setting, the locus of AI bias is not estimation but interpretation.

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13.
bioRxiv (Bioinfo) 2026-06-17

DNA-binding specificity recognition from predicted homologous protein-DNA structures

Authors:
Zeng↗Zou↗Li↗Liu↗Xu↗Wang↗Peng↗

Predicting protein DNA-binding specificity is essential for understanding gene regulation and disease mechanisms. Existing deep learning methods typically infer specificity from a single protein-DNA complex structure, which limits their ability to capture the diverse geometric patterns underlying protein-DNA recognition. Homologous protein-DNA interfaces provide complementary structural evidence and richer geometric features related to interatomic interactions. To address the limited diversity and coverage of experimentally determined complexes, we constructed a large-scale library of predicted homologous protein-DNA complex structures. Building on this resource, we propose HomoDSP, a template-retrieval-based framework for accurate DNA-binding specificity prediction. Benchmark evaluations and validation on newly released JASPAR 2026 samples indicate that HomoDSP outperforms existing methods in both accuracy and generalization, with particularly substantial gains on high-error samples. Moreover, this performance is largely retained when AlphaFold3-predicted complex structures are used as input. Template- and residue-level interpretability analyses suggest that HomoDSP improves prediction by focusing on DNA-affinity residues across multiple homologous templates. Finally, universal Protein Binding Microarrays evaluations on AI-designed DNA-binding proteins show that HomoDSP rescues a baseline failure mode in which the baseline method produces incorrect predictions because of training-set bias. Together, these results support the use of homologous template interfaces as informative structural priors for decoding protein DNA-binding specificity.

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14.
arXiv (CS.CV) 2026-06-25

How Robust is OCR-Reasoning? Evaluating OCR-Reasoning Robustness of Vision-Language Models under Visual Perturbations

Authors:
Yuxing Cheng↗Yuan Wu↗Yi Chang↗

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.

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15.
arXiv (CS.CV) 2026-06-24

Understanding Deep Representation Learning via Layerwise Feature Compression and Discrimination

Authors:
Peng Wang↗Xiao Li↗Can Yaras↗Zhihui Zhu↗Laura Balzano↗Wei Hu↗Qing Qu↗

Over the past decade, deep learning has proven to be a highly effective tool for learning meaningful features from raw data. However, it remains an open question how deep networks perform hierarchical feature learning across layers. In this work, we attempt to unveil this mystery by investigating the structures of intermediate features. Motivated by our empirical findings that linear layers mimic the roles of deep layers in nonlinear networks for feature learning, we explore how deep linear networks transform input data into output by investigating the output (i.e., features) of each layer after training in the context of multi-class classification problems. Toward this goal, we first define metrics to measure within-class compression and between-class discrimination of intermediate features, respectively. Through theoretical analysis of these two metrics, we show that the evolution of features follows a simple and quantitative pattern from shallow to deep layers when the input data is nearly orthogonal and the network weights are minimum-norm, balanced, and approximate low-rank: Each layer of the linear network progressively compresses within-class features at a geometric rate and discriminates between-class features at a linear rate with respect to the number of layers that data have passed through. To the best of our knowledge, this is the first quantitative characterization of feature evolution in hierarchical representations of deep linear networks. Empirically, our extensive experiments not only validate our theoretical results numerically but also reveal a similar pattern in deep nonlinear networks which aligns well with recent empirical studies. Moreover, we demonstrate the practical implications of our results in transfer learning. Our code is available at https://github.com/Heimine/PNC_DLN.

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16.
arXiv (CS.LG) 2026-06-17

Memory-Efficient Meta-Reinforcement Learning for Adaptive Safety-Critical Control in Adversarial Spacecraft Proximity Operations

Authors:
Alejandro Posadas-Nava↗Richard Linares↗Minduli Wijayatunga↗

arXiv:2606.17414v1 Announce Type: new Abstract: Autonomous spacecraft rendezvous and proximity operations (RPO) require controllers that guarantee safety under thrust constraints while minimizing fuel expenditure. Input-constrained control barrier functions (ICCBFs) provide a control method for nonlinear systems with actuation constraints that construct a forward-invariant safe set. Previous work has shown that learning class-$\mathcal{K}$ functions defining the ICCBF recursion via meta reinforcement learning (meta-RL) yields a robust, non-greedy approach to safety-critical control in RPO. This paper extends that framework further by investigating the performance of three recurrent network architectures (Long Short Term Memory (LSTM), Gated Recurrent Unit (GRU), Selective State Space Model (Mamba)) and two training algorithms (Proximal Policy Optimization (PPO) and Soft Actor Critic (SAC)) to identify the best setup for tuning ICCBF class-K functions via meta-RL. In addition to cooperative test cases, performance is evaluated in the presence of adversarial behavior where the target spacecraft behaves in a way that worsens the safety of the chaser spacecraft. Results indicate that state space models such as Mamba when used with PPO achieve superior task completion, safety, and fuel-savings compared to other architectures, across all cooperative and uncooperative scenarios tested.

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17.
bioRxiv (Bioinfo) 2026-06-18

pykarambola: Minkowski tensor morphometry of 3D structures

Authors:
Khurana↗Ishihara↗

Three-dimensional biological morphologies encode functional and physiological state, yet the directional, orientational, and topological properties of these shapes are rarely captured by morphometric tools available for bioimage analysis. Minkowski tensors are mathematically rigorous tensor-valued measures that encode surface curvature and directionality for objects of arbitrary topology, with tensor eigensystems that directly quantify elongation axes and anisotropy. A C++ implementation, karambola, computes Minkowski tensors for triangulated surfaces but is inaccessible within Python-based bioimage workflows. Here we present pykarambola, a pip installable Python package that accepts NumPy arrays and standard mesh formats and returns Minkowski tensors, including derived anisotropy and orientation quantities. A high-level label-image API converts 3D integer arrays into per-object Minkowski tensors in a single call, making pykarambola directly compatible with the output of widely used segmentation tools. An optional Cython extension accelerates graph-traversal steps of mesh initialization for large-scale analyses. Benchmarked on 1,584 adrenal gland meshes, pykarambola reproduces all 121 C++ karambola output features to near-floating-point agreement and, in the pure-Python build, is 2.8x faster at 28^3 and 1.5x faster at 64^3 voxel resolution, with speedups primarily attributable to karambola's sequential per-object file I/O. pykarambola is freely available as an open-source software package.

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

Residual Context Diffusion Language Models

Authors:
Yuezhou Hu↗Harman Singh↗Monishwaran Maheswaran↗Haocheng Xi↗Coleman Hooper↗Jintao Zhang↗Aditya Tomar↗Michael W. Mahoney↗Sewon Min↗Mehrdad Farajtabar↗Kurt Keutzer↗Amir Gholami↗…

Diffusion Large Language Models (dLLMs) have emerged as a promising alternative to purely autoregressive language models because they can decode multiple tokens in parallel. However, state-of-the-art block-wise dLLMs rely on a "remasking" mechanism that decodes only the most confident tokens and discards the rest, effectively wasting computation. We demonstrate that recycling computation from the discarded tokens is beneficial, as these tokens retain contextual information useful for subsequent decoding iterations. In light of this, we propose Residual Context Diffusion (RCD), a module that converts these discarded token representations into contextual residuals and injects them back for the next denoising step. RCD uses a decoupled two-stage training pipeline to bypass the memory bottlenecks associated with backpropagation. We validate our method on both long CoT reasoning (SDAR) and short CoT instruction following (LLaDA) models. We demonstrate that a standard dLLM can be efficiently converted to the RCD paradigm with merely ~300 million tokens. RCD consistently improves frontier dLLMs by 4-11 percentage points in accuracy with minimal extra computation overhead across a wide range of benchmarks. Notably, on the most challenging AIME tasks, RCD nearly doubles baseline accuracy and attains up to 4-5x fewer denoising steps at baseline's peak accuracy.

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19.
arXiv (quant-ph) 2026-06-12

Block algebra for morphing circuits

Authors:
Rui Chao↗

arXiv:2606.12724v1 Announce Type: new Abstract: Morphing circuits are a new paradigm for quantum error correction that relaxes hardware requirements. We present four constructions for CNOT-based CSS morphing circuits with explicit qubit connectivity degrees. All four constructions are specified in block algebra notation, with entries in algebras generated by permutation matrices. The first three are obtained by rewriting existing surface- and color-code morphing circuits; the fourth is a new three-round construction modeled on the 6.6.6 color code. The surface-code construction recovers the morphing circuit of Ref. [ST25] for two-block group algebra codes. Numerical search then instantiates these permutation matrices using regular representations of finite groups. [ST25] M. H. Shaw and B. M. Terhal, Phys. Rev. Lett. 134(9), 090602 (2025).

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20.
PLOS Computational Biology 2026-06-17

Combining machine learning and iterative experiments to keep pace with emerging viral variants of concern

Authors:
Thomas Sheffield↗

by Thomas Sheffield, Ryan C. Bruneau, Stephen Won, Kenneth L. Sale, Brooke Harmon, Le Thanh Mai Pham Modeling and predicting viral mutations before they emerge plays a crucial role in pandemic preparedness, enabling the early identification of emerging variants of concern (VOCs) and guiding timely updates to vaccines, diagnostic tests, and therapeutic strategies. However, existing machine learning models and large-scale experiments lose their predictive power as viral variants evolve further from the original strains in sequence space. Here, we present a scalable framework that integrates random forest and neural network machine learning models with targeted high-throughput experimentation to anticipate and evaluate emerging SARS-CoV-2 receptor-binding domain (RBD) variants. Using public datasets, we trained predictive models for binding to human Angiotensin-converting enzyme 2 (ACE2), RBD expression, and antibody escape, and refined these models through iterative integration of experimental data focused on over 200 variants derived from wild-type (WT) and Omicron strains. Through an indirect transfer learning approach, our machine learning models achieved high accuracy having correlation coefficients of up to 0.79 for antibody binding. The models were also generalizable across diverse antibody types including heavy-chain-only antibodies (HCAbs) by encoding complementarity-determining regions (CDRs) as input features. This dynamic approach enables rapid assessment of emerging variants, facilities prioritization of the therapeutic strategies, and supports a proactive, data-driven response to evolving viral threats.

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21.
bioRxiv (Bioinfo) 2026-06-23

biomeStat: Using Agentic AI for Scalable Genomic Epidemiology Demonstrated Through End-to-End Analysis of 1,000 Asian Dengue Virus Genomes

Authors:
Ariyaratne↗Somaratna↗Malavige↗G. N↗

Genomic epidemiology workflows typically require expert curation of multiple specialized tools, extensive manual parameter tuning, and access to heterogeneous compute infrastructure. While standard generative AI models often hallucinate in complex biological domains, we introduce biomeStat: an autonomous AI agent that functions as a strict deterministic orchestrator. By automatically writing code to execute established bioinformatics tools in sandboxed environments, biomeStat dynamically provisions compute resources (CPU and GPU) and guarantees reproducibility, making it immediately useful for scientists without requiring command-line expertise. To demonstrate the platform, we performed a fully autonomous genomic epidemiology and structural analysis of 1,000 Dengue virus (DENV) genomes sampled from 16 Asian countries between 2000 and 2025. The agent seamlessly orchestrated phylogenetic reconstruction (IQ-TREE, TreeTime), Bayesian phylodynamics (BEAST2 via NVIDIA H200 GPU), selection pressure analysis (HyPhy), and structural mapping (PyMOL). The analysis was completed in under 24 hours of wall-clock time, revealing endemic stability (R_e ~1.0) and identifying 1,869 candidate immune escape sites structurally colocalized with B-cell and T-cell epitopes. Furthermore, the agent validated 176 highly conserved drug target residues across the viral replication complex, confirming that resistance-associated positions for emerging antivirals JNJ-1802 and NITD-688 remain absolutely conserved across all four serotypes. By bridging the gap between natural language intent and deterministic computational execution, biomeStat reduces weeks of expert effort into a single-session analysis with full methodological transparency.

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22.
arXiv (CS.AI) 2026-06-18

Code-Augur: Agentic Vulnerability Detection via Specification Inference

Authors:
Zhengxiong Luo↗Mehtab Zafar↗Dylan Wolff↗Abhik Roychoudhury↗

arXiv:2606.18619v1 Announce Type: cross Abstract: The advent of agentic vulnerability detection is already becoming a watershed moment for software security. Audits conducted entirely by autonomous LLM agents are uncovering critical vulnerabilities in fundamental software underpinning digital society. Many of these vulnerabilities remained masked for years, surfacing only now with AI agents. Yet the reasoning behind these discoveries remains alarmingly opaque and unvalidated. What assumptions did the agent make about a function's inputs when it deemed that function to be secure? Failures in reasoning and incorrect assumptions can lead to missed vulnerabilities and reduce trust in agentic analysis. We propose a security-specification-first paradigm that (1) exposes the agent's tacit assumptions explicitly as security specifications and (2) continuously refines those specifications via runtime falsification. We realize our approach in Code-Augur, a novel harness for agentic vulnerability detection. Given a codebase, Code-Augur analyzes each component of the system for vulnerable code. When it deems a component to be secure, it commits the local invariants behind that judgment as in-source assertions. In parallel, Code-Augur leverages a guided fuzzer to attempt to falsify those assumptions. When the fuzzer triggers an assertion, this either reveals a genuine vulnerability or a flawed specification to refine. In both cases, this process grounds the agent's understanding, aligning its view of code intent with how the code actually behaves. On real-world subjects, Code-Augur effectively leverages security specifications to detect more vulnerabilities than other state-of-the-art agents. Additionally, Code-Augur found 22 new vulnerabilities in key open-source projects. Compared to curated specialized models like Claude Mythos, Code-Augur offers effective agentic vulnerability detection built on widely available LLMs like Sonnet and DeepSeek.

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23.
Nature (Science) 2026-06-24

GW250114 reveals signatures of post-merger black-hole horizon

Authors:
Neil Lu↗

The horizon of a black hole, the ‘surface of no return’, is characterized by its rotation frequency ΩH and surface gravity κ. A striking signature is that any infalling object appears to orbit at ΩH owing to frame dragging, while its emitted signals decay exponentially at a rate set by κ as a consequence of gravitational redshift. Recent theoretical work1 predicts that gravitational waves from binary black-hole mergers carry direct imprints of the properties of the merger remnant in the form of a ‘direct wave’. This gravitational-wave component oscillates near 2ΩH, reflecting the horizon’s frame dragging, and decays at an increasing rate characterized by κ, with additional screening from the black hole’s spacetime. Here we report observational evidence of a direct wave in GW2501142, with a 90% credible matched-filter signal-to-noise ratio of $${15.8}_{-0.5}^{+0.1}$$ ( $${17.1}_{-0.4}^{+0.1}$$ ) in the LIGO Hanford (Livingston) detector. The measured properties are in full agreement with theoretical predictions for a Kerr black hole. These findings establish an observational channel to directly measure frame-dragging effects in black-hole ergospheres and explore (near-)horizon physics in dynamical, strong-gravity regimes. The observation of a direct wave after the merger of two black holes reveals signatures associated with the remnant black-hole horizon, establishing an observational channel to directly measure frame-dragging effects in black-hole ergospheres and probe the horizon surface gravity.

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24.
arXiv (quant-ph) 2026-06-25

Taxonomy of integrable and ground-state solvable models: Jastrow wave functions on graphs and parent Hamiltonians

Authors:
Nilanjan Sasmal↗Adolfo del Campo↗

arXiv:2602.22315v2 Announce Type: replace Abstract: We introduce a family of many-body systems of distinguishable continuous-variable particles in which interparticle interactions are set by the adjacency matrix of a graph. The ground-state wave function of such systems is of a generalized Jastrow form involving the product of pair-correlation functions over the edge set of the graph. These systems describe quantum fluids when the graph is complete, and the pair function has a well-defined permutation symmetry. In general, they provide the continuous-variable generalization of spin systems on graphs, with broken permutation symmetry. The corresponding parent Hamiltonian is shown to include (a) two-body interactions determined by the graph adjacency matrix and (b) three-body interactions over all possible 2-paths on the graph. Employing elements of graph theory, we chart the landscape of models, recovering known instances in the literature and providing numerous new examples of ground-state solvable models for which the system Hamiltonian, ground-state wave function, and corresponding energy eigenvalue are specified.

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

Towards Modality-imbalanced Federated Graph Learning: A Data Synthesis-based Approach

Authors:
Zhengyu Wu↗Hongchao Qin↗Xunkai Li↗Zekai Chen↗Rong-Hua Li↗Guoren Wang↗

arXiv:2606.20382v1 Announce Type: new Abstract: MultiModal Federated Graph Learning (MM-FGL) offers a natural collaborative training paradigm, but its practical deployment is challenged by two granularities of modality imbalance. Client-level imbalance occurs when certain clients lack entire modalities, while node-level imbalance occurs when individual nodes exhibit missing visual or textual attributes. While several relevant studies exist, our investigation reveals that they predominantly target graph-agnostic or centralized scenarios, rendering them difficult to adapt directly. To address these challenges, we formalize modality-imbalanced MM-FGL as an implicit graph-aware latent semantic representation synthesis problem. This paradigm recovers missing modal semantics directly within the representation space, thereby maximizing alignment with the original data's semantic distribution and mitigating the high variance induced by missing modalities. To this end, we propose FedMGS (Federated Modality-aware Graph Synthesis), which integrates three core components. The availability-aware graph encoder prevents missing modalities from contaminating local structural propagation. The prototype-guided latent semantic synthesizer establishes cross-client semantic anchors for unavailable modalities. The reliability-calibrated semantic fusion mechanism regulates the impact of recovered latent representations prior to predictive readout. Extensive experiments on four tasks show that FedMGS consistently outperforms competitive baselines with gains up to 17.41% with best efficiency-performance tradeoff.

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