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01.
arXiv (math.PR) 2026-06-12

Voronoi Percolation: Topological Stability and Giant Cycles

Authors:
Benjamin Schweinhart↗Morgan Shuman↗

arXiv:2601.00793v2 Announce Type: replace Abstract: We study the topological stability of Voronoi percolation in higher dimensions. We show that slightly increasing p allows a discretization that preserves increasing topological properties with high probability. This strengthens a theorem of Bollobás and Riordan and generalizes it to higher dimensions. As a consequence, we prove a sharp phase transition for the emergence of i-dimensional giant cycles in Voronoi percolation on the 2i-dimensional torus.

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02.
arXiv (CS.AI) 2026-06-19

Mitigating Simplicity Bias in OOD Detection through Object Co-occurrence Analysis

Authors:
Boyang Dai↗Chaoqi Chen↗Yizhou Yu↗

arXiv:2605.07821v2 Announce Type: replace-cross Abstract: Out-of-distribution (OOD) detection is crucial for ensuring the reliability of deep learning models. Existing methods mostly focus on regular entangled representations to discriminate in-distribution (ID) and OOD data, neglecting the rich contextual information within images. This issue is particularly challenging for detecting near-OOD, as models with simplicity bias struggle to learn discriminative features in disentangled representations. The human visual system can use the co-occurrence of objects in the natural environment to facilitate scene understanding. Inspired by this, we propose an Object-Centric OOD detection framework that learns to capture Object CO-occurrence (OCO) patterns within images. The proposed method introduces a new OOD detection paradigm that understands object co-occurrence within an image by predicting disentangled representations for the test sample, then adaptively divides patterns into three scenarios based on object co-occurrence patterns observed in ID training data, and finally performs OOD detection in a divide-and-conquer manner. By doing so, OCO can distinguish near-OOD by considering the semantic contextual relationships present in their images, avoiding the tendency to focus solely on simple, easily learnable regions. We evaluate OCO through experiments across challenging and full-spectrum OOD settings, demonstrating competitive results and confirming its ability to address both semantic and covariate shifts. Code is released at https://github.com/Michael-McQueen/OCO.

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03.
arXiv (CS.CL) 2026-06-15

Beyond Perplexity: UTF-8 Validity in Byte-aware Language Models

Authors:
Sangwhan Moon↗Daisuke Oba↗Youmi Ma↗Tatsuya Hiraoka↗Naoaki Okazaki↗

Byte-level tokenization enables language models to handle any Unicode input, but models can generate invalid UTF-8 sequences when encountering rare or unseen characters. We investigate the relationship between training scale and UTF-8 generation reliability with a 355M parameter model trained on 80B tokens from a balanced multilingual corpus of English, Japanese, Korean, and Chinese. We introduce multiple evaluation protocols that isolate UTF-8 structural validity from language modeling. UTF-8 validity convergence lags perplexity by a roughly a factor of two: perplexity stabilizes after 2.1B tokens, but UTF-8 validity requires 4.2B tokens. In context-free generation, rare characters achieve higher structural validity than common characters, suggesting over-specialization of frequent character representations. Through experiments, we observed that reliable UTF-8 generation is a distinct capability requiring evaluation beyond perplexity.

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04.
PLOS Computational Biology 2026-06-03

IsoPepTracker: An interactive web application for peptide-driven isoform analysis

Authors:
Araf Mahmud↗

by Araf Mahmud, Chen Huang Alternative splicing affects 95% of multi-exon genes, generating protein isoforms with distinct functions. While current alternative splicing analyses effectively identify splice events at the RNA level, they provide limited protein-level insight. To address this gap, we developed IsoPepTracker (https://www.isopeptracker.org), a user-friendly web application for analyzing and visualizing differential peptides across canonical and novel isoforms that are theoretically detectable by shotgun mass spectrometry-based proteomics. IsoPepTracker features four modules: Canonical Isoform Analysis, Novel Isoform Discovery, Peptide Sequence Search, and Alternative Splicing Analysis. Each module is tailored for distinct and complementary proteogenomics analyses. Users can input genes, novel cDNA sequences, peptides, or alternative splicing results to pinpoint peptides of interest and identify their associations with target genes or isoforms. We demonstrate the straightforward application of IsoPepTracker in proteogenomics through case studies. IsoPepTracker not only provides informative peptide signatures to understand the protein-level consequences of alternative splicing but also supplies peptide candidates for validation in shotgun proteomics.

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05.
arXiv (CS.LG) 2026-06-19

Performance Analysis and Optimization of 3D Generative Diffusion Models across GPU Architectures

Authors:
Jeeho Ryoo↗Yongchan Jung↗Muhammad Ali Khaliq↗Weidong Zhang↗Jiatong Han↗Byeong Kil Lee↗

arXiv:2606.19365v1 Announce Type: new Abstract: Diffusion models have become essential for high-fidelity 3D MRI synthesis, yet their deployment remains constrained by substantial GPU resource demands arising from hundreds of U-Net evaluations per sample and a highly heterogeneous kernel behavior. This paper performs a comprehensive performance analysis of the state-of-the-art medical diffusion model, Med-DDPM, across three generations of NVIDIA architectures to study kernel-level runtime breakdowns, instruction-mix characteristics, memory system utilization, warp-level activities, and profiler priority-score estimates. We show that training is overwhelmingly dominated by cuDNN convolution and implicit-GEMM kernels, with inefficiencies arising from memory-access patterns, tensor-layout conversions, and limited Tensor Core utilization. Guided by these insights, we evaluate two architecture-aware optimizations TF32 Tensor Core activation and a 3D channels-last layout and demonstrate that they reduce SM cycles by up to 100x, cut dynamic instructions by 100x, raise Tensor Core utilization from 1.45 to 9.98x, and increase IPC by 7% on A100, all without degrading synthesis quality.

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

Simple analytical flux-tuned iSWAP pulses for leakage suppression

Authors:
Dimitrios Georgiadis↗Boxi Li↗Asier Galicia↗Rami Barends↗F. A. C\'ardenas-L\'opez↗Felix Motzoi↗

arXiv:2606.13052v1 Announce Type: new Abstract: Fast, high-fidelity two-qubit gates are a key requirement for fault-tolerant quantum computation. Tunable coupler architectures provide a flexible approach for implementing entangling gates through flux control with large on-off ratios, but fast flux modulation can induce diabatic transitions and population leakage to non-computational states, limiting gate performance. Here we present an analytical flux control method enabling derivative removal by adiabatic gate ($\Phi$-DRAG) for suppressing leakage in flux tunable two-qubit gates. We show that $\Phi$-DRAG differs fundamentally from conventional microwave implementations and derive modified flux modulation protocols that suppress leakage below $10^{-4}$ for fast entangling gates. The method remains effective across a range of asymmetry between qubit anharmonicities and different circuit parameters, enabling high-fidelity two-qubit gates within the fifteen nanosecond range.

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07.
arXiv (CS.CV) 2026-06-17

ProCUA-SFT Technical Report

Authors:
Jaehun Jung↗Ximing Lu↗Brandon Cui↗Muhammad Khalifa↗Shaokun Zhang↗Hao Zhang↗Jin Xu↗Amala Sanjay Deshmukh↗Karan Sapra↗Andrew Tao↗Yejin Choi↗Jan Kautz↗…

Training computer-use agents (CUAs) – models that interact with graphical desktops through screenshots and keyboard/mouse actions – requires large-scale, diverse trajectory data collected in full desktop environments. The largest public resource, AgentNet (22.5K human trajectories), leads to negative transfer when used for supervised fine-tuning (SFT): continuing training UI-TARS 7B on AgentNet causes OSWorld success rate to fall from 26.3% to 8-10%. We present ProCUA-SFT, a dataset of 3.1M step-level SFT samples distilled from 93K synthetic trajectories across 2,484 application combinations. The dataset is produced by a fully automated pipeline that (i) synthesizes grounded tasks on live desktops seeded with real-world content – 912 spreadsheets from SpreadsheetBench, approximately 10K permissively-licensed presentations from Zenodo10K, and multi-application OSWorld configs – and (ii) verifies each task's feasibility through binary precondition checking before rollout. A single VLM (Kimi-K2.5) serves as goal generator, precondition judge, and trajectory executor, eliminating planner-actor capability gaps. Each trajectory is expanded into step-prefix samples that exactly reproduce the context layout seen at inference time. Fine-tuning UI-TARS 7B on ProCUA-SFT for one epoch yields 45.0% on OSWorld – an 18.7 percentage-point improvement over the base model and over 35% above AgentNet-trained counterparts. A subset of ProCUA was incorporated into the training data for the Nemotron 3 Nano Omni model, contributing to its computer-use capabilities.

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08.
arXiv (CS.AI) 2026-06-16

FragFuse: Bypassing Access Control of Large Language Model Agents via Memory-Based Query Fragmentation and Fusion

Authors:
Zixin Rao↗Wentian Zhu↗Chan Aristella Lu↗Zhaorun Chen↗Wei Niu↗Le Guan↗Bo Li↗Zhen Xiang↗

arXiv:2606.15609v1 Announce Type: cross Abstract: Large language model (LLM) agents increasingly rely on long-term memory to support complex task execution, user personalization, and domain adaptation. Meanwhile, emerging access-control mechanisms for LLM agents are being explored to block policy-violating requests and prevent misuse. We reveal a novel attack surface arising from agent memory operations: prohibited content that would trigger access control can be fragmented across interactions, stored in long-term memory in benign-appearing form, and later reconstructed through memory retrieval without appearing explicitly in the final user query. We propose FragFuse, the first attack that enables unprivileged users to bypass agent access control by exploiting this temporal channel introduced by long-term memory. FragFuse operates in three stages: (1) identifying rejection-responsive fragments via black-box adaptive querying with fragment masking; (2) injecting these fragments into memory using marker carrier queries; and (3) retrieving and fusing the stored fragments through a follow-up attack query. Although FragFuse can be instantiated manually for individual agents, we further develop a surrogate-based optimization scheme that tunes fusion instructions and marker designs, enabling automated attack generation without violating the attacker's threat-model assumptions. We evaluate FragFuse across four representative agent settings and task domains, covering three state-of-the-art agent access-control mechanisms. FragFuse achieves an average bypass success rate of 86.3% and an average end-to-end harmful task success rate of 41.1% across all settings, with only 4.4% average task-success degradation compared with configurations without access control. We also show that alternative defenses, including state-of-the-art prompt-injection detectors and perplexity detectors, do not effectively address this attack.

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09.
arXiv (CS.AI) 2026-06-15

MeEvo: Metacognitive Evolution Combined with Natural Evolution for Automatic Heuristic Design

Authors:
Zishang Qiu↗Xinan Chen↗Rong Qu↗Ruibin Bai↗

arXiv:2606.14202v1 Announce Type: cross Abstract: Large Language Models (LLMs) have advanced Automatic Heuristic Design (AHD) by enabling heuristic generation through reasoning and code synthesis. Existing LLM-based AHD architectures mainly follow two paradigms: Natural Evolution, which uses crossover and mutation to explore heuristic programs, and Metacognitive Evolution, which refines reasoning through reflection. However, Natural Evolution discards reasoning traces, weakening knowledge inheritance and exploitation, while Metacognitive Evolution lacks population-level recombination, limiting exploration and increasing the risk of premature convergence. These limitations reduce search efficiency, stability, and solution quality on complex problems. To address this gap, we propose MeEvo, a dual-layer AHD framework that cyclically couples Natural Evolution and Metacognitive Evolution. Natural Evolution explores heuristic code while recording reasoning traces, fitness values, and errors into a shared history; Metacognitive Evolution then reflects on this history to generate improved heuristics that re-enter the parent pool for the next cycle. This design enables population-driven exploration and reflection-driven refinement to reinforce each other. Experiments on five optimization problems with two LLM backbones show that MeEvo achieves stronger and more stable performance than existing LLM-based AHD architectures, especially on complex constrained tasks.

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10.
arXiv (CS.LG) 2026-06-15

PostDeg: Placement Beats Parameterization in LayerNorm GNNs

Authors:
Yash Tomar↗Aryav Das↗

arXiv:2606.14022v1 Announce Type: new Abstract: LayerNorm-based GNNs routinely erase the topology signals (degree, centrality, $k$-core) that node-selection policies should depend on, but the literature has not located where in the residual block the erasure happens. We answer that question: a positive per-node scalar inserted before LayerNorm is divided out up to a stabilizer term, while the same scalar inserted after LayerNorm reaches the score head as representation magnitude. The surviving slot is the post-LayerNorm position. We instantiate it with PostDeg, a parameter-free post-LayerNorm inverse-degree scale, and pre-register four falsifiers (graphwise scalars, extra LayerNorm, expressive same-slot capacity, backbone-agnostic source) that would reject the rule. PostDeg gains $+3.5\%/+2.5\%/+5.6\%$ over the LN backbone on influence maximization, network dismantling, and maximum independent set, with $10/10$ paired-seed wins per task; none of the four falsifiers fires. The takeaway is that placement, not parameterization, carries the gain – a small invariance check that generalizes to any positive topology scalar in any normalized residual stack.

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

Distilling Examples into Task Instructions: Enhanced In-Context Learning for Real-World B2B Conversations

Authors:
Guy Rotman↗Adi Kopilov↗Danit Berger Zalmanson↗Omri Allouche↗

In-context learning (ICL) is the standard method for low-resource classification, yet its efficacy in specialized domains remains largely unexplored. We address the challenge of classifying semantically complex, multi-party B2B conversations, where traditional ICL encounters significant limitations, especially as context length increases due to the concatenation of multiple few-shot examples. We introduce the \texttt{Call Playbook} dataset, featuring five classification tasks derived from real-world B2B conversations targeting core sales concepts. To bridge the gap between performance and practical utility, we propose novel knowledge extraction methods that distill verbose examples into compact, interpretable representations of structured classification criteria and precise task descriptions. Our approach achieves a 99\% reduction in token usage and improves macro-averaged AUC by up to 7\% over traditional ICL. Notably, it remains robust as context grows, unlike advanced token compression baselines which degrade by over 9 F1 points. Importantly, our framework enables direct refinement of classification logic, addressing critical needs for transparency, efficiency, and user interaction in real-world NLP applications.

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

A Neuromorphic Trigger for Efficient Audio Event Detection

Authors:
Benjamin Hatton↗Oliver Rhodes↗Luca Peres↗

arXiv:2606.17775v1 Announce Type: cross Abstract: Efficient processing of continuous audio streams remains a key challenge for real-time and resource-constrained systems. This paper introduces a neuromorphic trigger for audio event detection, based on a spiking neural network (SNN) that selectively gates input to downstream models. The proposed trigger acts as a low-cost front-end, identifying salient audio segments and forwarding only these to a more computationally intensive model for tasks such as classification. The trigger is implemented as a lightweight fully connected SNN and evaluated on two representative tasks: Anomalous Sound Detection (ASD) and Sound Event Detection (SED). For ASD, the trigger achieves a one-second segment-based F1 score of 0.97 on a class-agnostic form of the URBAN-SED dataset, demonstrating high reliability in identifying relevant audio regions. For SED, the trigger is combined with the Dang classifier on the DCASE 2017 Challenge Task 2 dataset, showing a potential $42.6\times$ reduction in FLOPs while reducing the lower bound of the event-based error rate from 0.41 to 0.25. These results highlight the potential of neuromorphic triggers as real-time, energy-efficient front-end filters, enabling substantial reductions in computational cost.

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13.
bioRxiv (Bioinfo) 2026-06-12

The Geometry of Allostery: A Laplacian Minor Hierarchy for Many-Body Protein Communication

Authors:
Senguler Ciftci↗Erman↗

Quantifying how cooperative, many-body relationships drive allostery in protein networks remains a major challenge. To address this, we develop the Laplacian minor hierarchy, a mathematical framework that characterizes the geometric invariants of a protein network. Lower-order minors yield standard metrics including the partition function and effective distances, whereas higher-order minors define novel topological measures: cooperation indices, each bounded between zero and one, that characterize pathway correlations at increasing levels of complexity, the third-order minor determines whether allosteric pathways are correlated or uncorrelated, and the fourth-order minor quantifies how distinct pathways communicate through intermediary residues. We apply this framework to analyze the evolutionary adaptation of the PSD95pdz3 domain from Class I to Class II ligand specificity via mutations G330T and H372A. The cooperation index demonstrates a distinct evolutionary hierarchy: the G330T mutation establishes distributed pathway couplings that the H372A mutation subsequently exploits, whereas H372A alone produces minimal global changes. Furthermore, the fourth-order analysis identifies His317 as a critical intermediary node bridging the class-switching (330-372) and class-bridging (330-400) allosteric pathways. These results demonstrate that allosteric dependencies emerge only when mutations accumulate in specific combinations, with a hierarchical organization of pathways structured around position 330 and intermediary nodes His317 and Phe400. Rather than predicting allosteric mechanisms, this framework provides a mechanistic explanation for why and how allostery emerges during protein evolution.

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

N(CO)$^2$: Neural Combinatorial Optimization with Chance Constraints to Solve Stochastic Orienteering

Authors:
Anas Saeed↗Marcos Abel Zuzu\'arregui↗Stefano Carpin↗

arXiv:2606.18514v1 Announce Type: cross Abstract: Neural combinatorial optimization (NCO) offers a promising alternative to traditional heuristic-based methods for solving complex graph optimization problems by proposing to learn heuristics through data. This class of problems frequently arises in automation, as it can be used to model a variety of applications. While NCO has been extensively studied for deterministic combinatorial optimization problems, there are only a few works that aim to solve stochastic combinatorial optimization problems. In this work, we present N(CO)$^2$: Neural Combinatorial Optimization with Chance cOnstraints to solve the Stochastic Orienteering Problem (SOP) without the use of hand-crafted heuristics. By integrating a reinforcement learning (RL) framework, the model optimizes path selection under uncertainty, effectively balancing exploration and exploitation. Empirical results demonstrate that our method generalizes well across diverse SOP instances, achieving competitive performance compared to the state-of-the-art mixed-integer linear program (MILP) for the task. The proposed approach reduces human effort in heuristic design while enabling adaptive and efficient decision-making in uncertain environments.

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15.
arXiv (quant-ph) 2026-06-16

Ultrastrongly coupled open systems and fine grained time

Authors:
Stefano Marcantoni↗Marco Merkli↗

arXiv:2606.16634v1 Announce Type: new Abstract: We study the dynamics of a d-level quantum system coupled to a bosonic reservoir when the coupling constant is large. It is known that in the limit of infinite coupling strength, the system undergoes an instantaneous nonselective measurement, resulting in the immediate decoherence in the measurement basis, followed by a unitary Zeno dynamics. Here we resolve this dynamical process by introducing a fine grained scaling regime of short times proportional to the inverse coupling. We provide a rigorous derivation of the open system dynamics in this regime of ultrastrong coupling and demonstrate how decoherence unfolds continuously in the new time scale. We show that Markovian dynamics which are not given by semigroups arise naturally, in contrast to what happens in the weak coupling theory.

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16.
arXiv (CS.CV) 2026-06-18

Hierarchical Multi-Modal Retrieval for Knowledge-Grounded News Image Captioning

Authors:
Minh-Loi Nguyen↗Xuan-Vu Le↗Long-Bao Nguyen↗Hoang-Bach Ngo↗Trung-Nghia Le↗

Traditional image captioning methods often struggle to generate comprehensive, context-rich descriptions, especially for details not directly observable from visual cues. To overcome this, we propose a novel retrieval-augmented image captioning framework that generates captions with deeper insights, such as object attributes, event context, and underlying significance, by leveraging external knowledge. Our approach features a hierarchical multi-modal article retrieval mechanism that moves beyond monolithic text entities. This retrieval considers article structure-aware features, including weighted textual components (e.g., headlines, body sections) and visual placement patterns, alongside multi-faceted similarity computations (content–visual, visual–visual, and discourse positioning). A subsequent contextual relevance refinement stage further enhances the retrieved information. The retrieved articles then serve as the knowledge base for caption generation: first, a VLM generates a concise image description; second, we segment relevant information from the retrieved articles based on this description; and finally, an LLM utilizes both the description and extracted knowledge to generate a comprehensive, contextually detailed caption. We participated in the ACM Multimedia EVENTA 2025 Challenge and achieved 5th place with an overall score of 0.2824 on the private test set of the OpenEvent-V1 dataset. Source code is publicly released at https://github.com/mf0212/EVENTA-Challange.

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17.
arXiv (math.PR) 2026-06-16

Phase Transition in Convex Relaxations for Graph Alignment

Authors:
Laurent Massouli\'e↗Sushil Mahavir Varma↗Louis Vassaux↗Ir\`ene Waldspurger↗

arXiv:2606.15581v1 Announce Type: cross Abstract: We study the graph alignment problem for correlated Gaussian Orthogonal Ensemble (GOE) matrices, where the goal is to recover a hidden vertex permutation given two correlated symmetric Gaussian matrices $(A, B)$ with correlation $1/\sqrt{1+\sigma^2}$. While the maximum likelihood estimator is information-theoretically optimal, its computation, which reduces to a quadratic assignment problem, is intractable. Motivated by this, we analyze convex relaxations based on minimizing $\|AX - XB\|_F$ over the set of doubly stochastic matrices and the unit hypercube. We show that when the correlation parameter satisfies $\sigma = o(n^{-1/2}/\log^4 n)$, the solution of either relaxation $(X^\star)$ concentrates around the ground-truth permutation matrix $(\Pi^\star)$, i.e., $\|X^\star-\Pi^\star\|_F^2 = o(n)$, implying recovery of all but a vanishing fraction of vertices after simple post-processing. Combined with existing lower bounds, our results precisely characterize that $\|X^\star-\Pi^\star\|_F^2$ transitions from $o(n)$ for $\sigma = \tilde{o}(n^{-1/2})$ to $\Omega(n)$ for $\sigma = \tilde{\Omega}(n^{-1/2})$. In doing so, our analysis significantly tightens prior results and extends them beyond doubly stochastic relaxations.

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

The Accountability Paradox: How Platform API Restrictions Undermine AI Transparency Mandates

Authors:
Florian A. D. Burnat↗Brittany I. Davidson↗

arXiv:2505.11577v5 Announce Type: replace-cross Abstract: Recent application programming interface (API) restrictions on major social media platforms challenge compliance with the EU Digital Services Act [20], which mandates data access for algorithmic transparency. We develop a structured audit framework to assess the growing misalignment between regulatory requirements and platform implementations. Our comparative analysis of X/Twitter, Reddit, TikTok, and Meta identifies critical ``audit blind-spots'' where platform content moderation and algorithmic amplification remain inaccessible to independent verification. Our findings reveal an ``accountability paradox'': as platforms increasingly rely on AI systems, they simultaneously restrict the capacity for independent oversight. We propose targeted policy interventions aligned with the AI Risk Management Framework of the National Institute of Standards and Technology [80], emphasizing federated access models and enhanced regulatory enforcement.

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

Transfer-matrix functions for algebraically decaying interactions in variational infinite matrix product states

Authors:
Qi Yang↗

arXiv:2606.20522v1 Announce Type: cross Abstract: Variational infinite matrix product state (iMPS) calculations usually make Hamiltonians with algebraically decaying interactions compatible with standard MPO algorithms by first replacing the target Hamiltonian with a finite-pole sum-of-exponentials surrogate, thereby introducing a Hamiltonian-representation residual. We formulate the fixed-$D$ variational energy without introducing such a surrogate. For a fixed finite-$D$ MPS, the algebraic tail can be summed directly through the connected transfer matrix: the tail $e^{\mathrm{i} Qr}/r^\alpha$ is represented by the matrix function $F_{\alpha,Q}(\widetilde{T}_A)$, with $F_{\alpha,Q}(z)=\operatorname{Li}_\alpha(e^{\mathrm{i} Q}\,z)/z$. We evaluate the resulting matrix-function action using a Krylov method and obtain stable gradients by combining a Fréchet adjoint with implicit fixed-point differentiation. Benchmarks on long-range free fermions and the inverse-square Heisenberg family, including the Haldane–Shastry point, validate the transfer-matrix-function formulation. A long-range Ising-chain calculation illustrates a practical consequence of avoiding a finite-pole Hamiltonian representation. At a fixed, independently known critical field, finite-pole surrogate Hamiltonians can bias a critical diagnostic away from criticality, whereas the matrix-function calculation retains the expected critical signatures of the target algebraic Hamiltonian.

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20.
arXiv (quant-ph) 2026-06-17

A matching decomposition algorithm for simulating quantum walk Hamiltonians

Authors:
Mostafa Atallah↗Alvin Gonzales↗Daniel Dilley↗Igor Gaidai↗Zain H. Saleem↗Rebekah Herrman↗

arXiv:2601.11418v3 Announce Type: replace Abstract: In this work, we present a new algorithm for generating quantum circuits that efficiently implement continuous time quantum walks on arbitrary simple sparse graphs. The algorithm, called matching decomposition, works by decomposing a continuous-time quantum walk Hamiltonian into a collection of exactly implementable Hamiltonians corresponding to matchings in the underlying graph followed by a novel graph compression algorithm that merges edges in the graph. We develop a greedy matching heuristic and a compression-aware matching heuristic, both of which can be used in the quantum circuit algorithm. Lastly, we convert the walks to a circuit and Trotterize over these components. The dynamics of the walker on each edge in the matching can be implemented in the circuit model as sequences of CX and CRx gates. We do not use Pauli decomposition when implementing walks along each matching. Furthermore, we compare greedy (compression-aware) matching decomposition to a standard Pauli-based simulation pipeline and find that greedy (compression-aware) matching decomposition consistently yields substantial resource reductions, requiring up to 43$\%$ (70\%) fewer controlled gates and up to 54$\%$ (75\%) shallower circuits than Pauli decomposition across multiple graph families. Finally, we also present examples and theoretical results for when matching decomposition can exactly simulate a continuous-time quantum walk on a graph.

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

MolSight: Molecular Property Prediction with Images

Authors:
Aaditya Baranwal↗Akshaj Gupta↗Yogesh S Rawat↗Shruti Vyas↗

Every molecule ever synthesised can be drawn as a 2D skeletal diagram, yet in modern property prediction this universally available representation has received less focus in favour of molecular graphs, 3D conformers, or billion-parameter language models, each imposing its own computational and data-engineering overhead. We present $MolSight$, the first systematic large-scale study of vision-based Molecular Property Prediction (MPP). Using 10 vision architectures, 7 pre-training strategies, and $2\,M$ molecule images, we evaluate performance across 10 downstream tasks spanning physical-property regression, drug-discovery classification, and quantum-chemistry prediction. To account for the wide variation in structural complexity across pre-training molecules, we further propose a $chemistry-informed curriculum$: five structural complexity descriptors partition the corpus into five tiers of increasing chemical difficulty, consistently outperforming non-curriculum baselines. We show that a single rendered bond-line image, processed by a vision encoder, is sufficient for competitive molecular property prediction, i.e. $chemical insight from sight alone$. The best curriculum-trained configuration achieves the top result on $5 of 10$ benchmarks and top two on $all 10$, at $$80$\times$ lower$$ FLOPs than the nearest multi-modal competitor.

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22.
arXiv (quant-ph) 2026-06-16

Discontinuous strong-to-weak symmetry breaking transition from thermal pure states

Authors:
Taiki Haga↗Masaya Kunimi↗Masaya Nakagawa↗

arXiv:2606.15062v1 Announce Type: new Abstract: We investigate the nonequilibrium dynamics of strong-to-weak spontaneous symmetry breaking in many-body quantum systems undergoing decoherence from thermal pure states. For generic initial pure states with volume-law entanglement entropy, we show that the system undergoes a discontinuous dynamical phase transition at a critical time. This transition is accompanied by a singularity in the entropy of the system, which saturates to its maximum value at the same critical time. Through numerical simulations of the dephasing Ising and hard-core boson models, we establish the universality of this transition across different symmetries. Our results reveal that the dynamical emergence of a decohered mixed state from a highly entangled state is not a gradual asymptotic relaxation, but rather a sharp phase transition driven by a sudden collapse of global coherence.

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23.
arXiv (CS.AI) 2026-06-17

FllumaOne: A Code-Native Multimodal CAD Dataset with Executable Programs and Kernel-Validated Feature Histories

Authors:
Jizong Zhan↗

arXiv:2606.17696v1 Announce Type: new Abstract: Parametric computer-aided design records both final geometry and the ordered construction history that determines how a part can be edited. Datasets for editable CAD research should therefore expose modeling operations, parameters, and feature dependencies together with validated geometry. We introduce FllumaOne, a code-native multimodal CAD dataset whose models are generated by executable Python programs in Flluma, a Qt/C++ OpenCASCADE-based CAD system. Each sample aligns its program with a structured feature tree, a training-oriented intermediate representation, STEP geometry, a surface point cloud, natural-language descriptions, metadata, and eight canonical visible-edge renderings. The primary release, FllumaOne-100K, contains 100,000 accepted samples across four template-level complexity regimes. Programs are executed and retained only after kernel geometry, solid validity, and export checks; release reports also record modality completeness and split-level duplicate tests. A Qwen2.5-Coder-1.5B LoRA baseline trained on 80,000 samples achieves 99.98% Python syntax validity, 99.97% Flluma build success, and 99.14% STEP-export validity on the held-out 10,000-sample test split. For the 9,909 predictions converted to surface point clouds, the mean normalized Chamfer Distance is 0.002124. The dataset supports conditioned CAD reconstruction, executable program synthesis, feature-tree prediction, B-Rep analysis, retrieval, design completion, and editable reverse engineering.

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

Thinking Outside the [Chat]Box: Bridging Computer Science and Industrial Design for Cognitive-Inclusive Generative AI

Authors:
Virginia Francisco↗Daniel Guasch↗Raquel Herv\'as↗

arXiv:2606.14306v1 Announce Type: cross Abstract: Current Generative AI (GenAI) interfaces remain largely constrained to chatbox interaction, which can impose high cognitive demands on users and create substantial barriers for people with intellectual disabilities (ID), including prompt formulation difficulties, response overload, and limited mechanisms to assess information reliability. To explore alternative interaction models for cognitive accessibility, we conducted a cross-disciplinary co-design challenge in which two student cohorts (Computer Science and Industrial Design) developed interface concepts from the same set of functional requirements (e.g., prompt scaffolding, structured output, GUI-based refinement, transparency, and personalization). Comparing the resulting proposals reveals both convergence on foundational requirements (notably initial calibration, proactive prompting, and direct manipulation of response fragments) and complementary contributions that outline a multi-layered support system. Computer Science teams primarily produced structural scaffolding, emphasizing predictability, navigability, and trust through mechanisms such as reliability indicators, explicit sources, and context management for long conversations. Industrial Design teams emphasized experiential scaffolding, focusing on pacing, attention guidance, multimodality, and proactive agency, including step-by-step response flows, focus modes, and assistant-like integrations. We synthesize these findings into a dual-layer scaffolding framework that expands the design space for cognitively accessible GenAI interaction beyond chat-centric models and motivates future work on expert refinement, technical feasibility, and empirical validation with users with ID.

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