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01.
arXiv (CS.LG) 2026-06-18

JourneyFormer: Encoding Airbnb Guest Journey with Sequence Modeling

Authors:
Daochen Zha↗Chun How Tan↗Xin Liu↗Bin Xu↗Han Zhao↗Xiaowei Liu↗Tracy Yu↗Hui Gao↗Huiji Gao↗Liwei He↗Stephanie Moyerman↗Sanjeev Katariya↗…

arXiv:2606.19108v1 Announce Type: new Abstract: Sequence modeling has become increasingly popular in recommendation and ranking algorithms, owing to its capacity to model users' historical behaviors and infer user intentions. Despite its theoretical simplicity, the practical deployment of a sequence model in production is non-trivial due to complexity of the sequence and sparse labels. For example, in Airbnb, guest sequences are often long, exploratory and complex, and we focus on booking labels, which are sparse. As such, we are often required to make various design decisions regarding data and modeling to strike a balance between effectiveness and scalability. This work delved into these production challenges and deployed JourneyFormer, a sequence modeling solution for search ranking at Airbnb. We detail crucial design considerations, covering aspects such as guest event selection, ID embeddings, model architecture, and label attribution. Additionally, we describe several tailored strategies to accelerate model training and inference. JourneyFormer has been successfully deployed within Airbnb's production, where its effectiveness and impact have been evidenced not only by improved offline ranking metrics but also by significant gains in key business metrics through online A/B testing across 2 production surfaces.

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02.
arXiv (CS.AI) 2026-06-15

Selective Agentic Recovery for UAV Autonomy with a Persistent Mission Runtime

Authors:
Taewoo Park↗Kyeonghyun Yoo↗Seunghyun Yoo↗Hwangnam Kim↗

arXiv:2606.14219v1 Announce Type: cross Abstract: Agentic AI can support unmanned aerial vehicle (UAV) autonomy by providing high-level recovery reasoning when local waypoint- or setpoint-based execution encounters blocked passages, repeated no-progress behavior, or mission-level ambiguity. On physical UAVs, however, remote reasoning is most useful when it is invoked selectively, since each call introduces latency, resource cost, backend uncertainty, and a need to validate the returned decision. This paper presents Persistent Mission Runtime (PMR), a UAV recovery framework that keeps the mission loop and safety-critical execution local while using an external agentic reasoner only as an on-demand recovery module. The reasoner selects from predefined recovery skills, and each returned decision is parsed, verified, safety-filtered, and mapped to local executor actions before it can affect flight. PMR introduces learned Cognitive Value of Invocation (learned-CVI), a compact admission gate that estimates when remote agentic reasoning is likely to improve near-term mission progress enough to justify its operational cost. Across a fixed 400-run Gazebo/PX4 benchmark with eight scenarios, learned-CVI raises hard/ambiguous-regime success from 5.0% under local-only autonomy to 95.0%, outperforms one-shot and periodic reasoning baselines by 20.0 and 32.5 percentage points, and reduces remote-agent calls by 16.7% and logged tokens by 29.2% relative to a manually tuned rule-based invocation baseline.

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03.
arXiv (CS.CL) 2026-06-16

Agentic Reinforcement Learning for Search Misaligns Instruction-Tuning

Authors:
Yushi Yang↗Shreyansh Padarha↗Sarah Ball↗Andrew Lee↗Adam Mahdi↗

Agentic reinforcement learning (RL) trains large language models to use tools, but its impact on alignment is poorly understood. We study how agentic RL for search affects the alignment of instruction-tuned (IT) models. We find that RL-trained models inherit refusal reasoning by deflecting harmful requests into benign search queries, but this breaks down under a simple diagnostic trigger that elicits a search call before refusal can occur. Under this condition, RL models produce multi-step unsafe search actions and reasoning, reducing search query safety by up to 68.6% in Qwen and Llama models relative to their IT counterparts. The effect generalises across model families, scales, and RL algorithms. To understand why, we identify linear directions in the residual stream that control search query safety, and show that RL training progressively shifts search behaviour toward the harmful end of this direction. We thus propose representation-guided RL training, which adds a reward penalty based on projection toward the harmful search direction. Training on benign data alone, it restores IT-level alignment without reducing task accuracy and requires no additional training data. Together, our work provides the first framework for diagnosing, mechanistically analysing, and mitigating alignment degradation in agentic RL for search.

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04.
arXiv (CS.LG) 2026-06-18

Unreduced Persistence Diagrams for Topological Machine Learning

Authors:
Nicole Abreu↗Parker B. Edwards↗Francis Motta↗

arXiv:2507.07156v2 Announce Type: replace-cross Abstract: Supervised machine learning pipelines trained on features derived from persistent homology have been experimentally observed to ignore much of the information contained in a persistence diagram. Computing persistence diagrams is often the most computationally demanding step in such a pipeline, however. To explore this dynamic, we introduce several methods to generate topological feature vectors from unreduced boundary matrices and investigate their theoretical and computational properties. We compared the performance of pipelines trained on vectorizations of unreduced PDs to vectorizations of fully-reduced PDs across several data and task types. Our results indicate that models trained on PDs built from unreduced diagrams can perform on par and even outperform those trained on fully-reduced diagrams on some tasks. We also benchmarked the computational performance of an algorithm for computing unreduced diagrams, which was implemented as a heavily modified version of Ripser. These computations are parallelizable and required an order of magnitude less memory on average compared to computing full persistence diagrams. Our results suggest that machine learning pipelines which incorporate topology-based features may benefit in terms of computational cost and performance by utilizing information contained in unreduced boundary matrices.

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05.
arXiv (CS.CL) 2026-06-16

CentroidKV: Efficient Long-Context LLM Inference via KV Cache Clustering

Authors:
Jie Hu↗Shengnan Wang↗Yutong He↗Ping Gong↗Jiawei Yi↗Juncheng Zhang↗Youhui Bai↗Renhai Chen↗Gong Zhang↗Cheng Li↗Kun Yuan↗

Large language models (LLMs) with extended context windows have become increasingly prevalent for tackling complex tasks. However, the substantial Key-Value (KV) cache required for long-context LLMs poses significant deployment challenges. Existing approaches either discard potentially critical information needed for future generations or offer limited efficiency gains due to high computational overhead. In this paper, we introduce CentroidKV, a simple yet effective framework for online KV cache clustering. Our approach is based on the observation that key states exhibit high similarity along the sequence dimension. To enable efficient clustering, we divide the sequence into chunks and propose Chunked Soft Matching, which employs an alternating partition strategy within each chunk and identifies clusters based on similarity. CentroidKV then merges the KV cache within each cluster into a single centroid. Additionally, we provide a theoretical analysis of the computational complexity and the optimality of the intra-chunk partitioning strategy. Extensive experiments across various models and long-context benchmarks demonstrate that CentroidKV achieves up to 75% reduction in KV cache memory usage while maintaining comparable model performance. Moreover, with minimal computational overhead, CentroidKV accelerates the decoding stage of inference by up to $1.92\times$ and increases the serving throughput by up to $4\times$.

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

RASC+: Retrieval-Constrained LLM Adjudication for Clinical Value Set Authoring

Authors:
Sumit Mukherjee↗

Clinical value sets define the standardized terminology codes used in quality measurement, phenotyping, cohort construction, and clinical decision support. The recently introduced Retrieval-Augmented Set Completion (RASC) benchmark showed that direct zero-shot large language model (LLM) generation is poorly suited to this task: clinical code systems are large, version-controlled, and not reliably memorized by language models. We study a stage-wise alternative in which candidate-pool construction is optimized for recall and a constrained LLM adjudicator is optimized for candidate selection. On the full 3,744-value-set RASC test split, Qwen3-based retrieval with vocabulary-aware expansion and code-display rescue retrieval increases candidate-pool recall from the original RASC retrieval baseline of 0.553 to 0.730; on the held-out-publisher stratum, pool recall is 0.655. The higher-recall pool alone is not sufficient: applying the original SAPBert cross-encoder to this expanded pool gives full-test macro F1 of 0.287 and held-out-publisher macro F1 of 0.233. Replacing the stage-2 selector with blinded GPT-5 adjudication over the same pool increases full-test macro F1 to 0.549 and held-out-publisher macro F1 to 0.533. These results show that retrieval-constrained LLM adjudication can substantially improve value set completion while preserving the safety constraint that all returned codes must come from an auditable candidate pool.

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07.
arXiv (quant-ph) 2026-06-12

A Robust Strontium Tweezer Apparatus for Quantum Computing

Authors:
Marijn Venderbosch↗Rik van Herk↗Zhichao Guo↗Jes\'us del Pozo Mellado↗Max Festenstein↗Deon Janse van Rensburg↗Ivo Knottnerus↗Yu Chih Tseng↗Alexander Urech↗Robert Spreeuw↗Florian Schreck↗Rianne Lous↗…

arXiv:2601.16564v2 Announce Type: replace-cross Abstract: Neutral atoms for quantum computing applications show promise in terms of scalability and connectivity. We demonstrate the realization of a versatile apparatus capable of stochastically loading a 5x5 array of optical tweezers with single $^{88}$Sr atoms featuring flexible magnetic field control and excellent optical access. A custom-designed oven, spin-flip Zeeman slower, and deflection stage produce a controlled flux of Sr directed to the science chamber. In the science chamber, featuring a vacuum pressure of $3 \times 10^{-11}$ mbar, the Sr is cooled using two laser cooling stages, resulting in $\sim 3 \times 10^5$ atoms at a temperature of 5(1) $\mu$K. The optical tweezers feature a $1/e^2$ waist of 0.81(2) $\mu$m, and loaded atoms can be imaged with a fidelity of $\sim 0.997$ and a survival probability of $0.99^{+0.01}_{-0.02}$. The atomic array presented here forms the core of a full-stack quantum computing processor targeted for quantum chemistry computational problems.

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08.
arXiv (CS.CV) 2026-06-11

Weakly Supervised Segmentation as Semantic-Based Regularization

Authors:
Stefano Colamonaco↗Andrei-Bogdan Florea↗Jaron Maene↗

Weakly supervised semantic segmentation (WSSS) trains dense pixel-level segmentation models from partial or coarse annotations such as bounding boxes, scribbles, or image-level tags. While recent work leverages foundation models such as the Segment Anything Model (SAM) to generate pseudo-labels, these approaches typically depend on heuristic prompt choices and offer limited ways to incorporate prior knowledge or heterogeneous labels. We address this gap by taking a neurosymbolic perspective: integrating differentiable fuzzy logic with deep segmentation models. Weak annotations and domain-specific priors are unified as continuous logical constraints that fine-tune SAM under weak supervision. The refined foundation model then produces improved pseudo-labels, from which we train a second-stage prompt-free segmentation model. Experiments on Pascal VOC 2012 and the REFUGE2 optic disc/cup segmentation dataset show that our logic-guided fine-tuning yields higher-quality pseudo-labels, leading to state-of-the-art segmentation accuracy that often exceeds densely supervised baselines.

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

MedAI: Evaluating TxAgent's Therapeutic Agentic Reasoning in the NeurIPS CURE-Bench Competition

Authors:
Tim Cofala↗Christian Kalfar↗Jingge Xiao↗Johanna Schrader↗Michelle Tang↗Wolfgang Nejdl↗

arXiv:2512.11682v2 Announce Type: replace Abstract: Therapeutic decision-making in clinical medicine constitutes a high-stakes domain in which AI guidance interacts with complex interactions among patient characteristics, disease processes, and pharmacological agents. Tasks such as drug recommendation, treatment planning, and adverse-effect prediction demand robust, multi-step reasoning grounded in reliable biomedical knowledge. Agentic AI methods, exemplified by TxAgent, address these challenges through iterative retrieval-augmented generation (RAG). TxAgent employs a fine-tuned Llama-3.1-8B model that dynamically generates and executes function calls to a unified biomedical tool suite (ToolUniverse), integrating FDA Drug API, OpenTargets, and Monarch resources to ensure access to current therapeutic information. In contrast to general-purpose RAG systems, medical applications impose stringent safety constraints, rendering the accuracy of both the reasoning trace and the sequence of tool invocations critical. These considerations motivate evaluation protocols treating token-level reasoning and tool-usage behaviors as explicit supervision signals. This work presents insights derived from our participation in the CURE-Bench NeurIPS 2025 Challenge, which benchmarks therapeutic-reasoning systems using metrics that assess correctness, tool utilization, and reasoning quality. We analyze how retrieval quality for function (tool) calls influences overall model performance and demonstrate performance gains achieved through improved tool-retrieval strategies. Our work was awarded the Excellence Award in Open Science. Complete information can be found at https://curebench.ai/.

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

SpatialAvatar-0: High-Quality 4D Head Avatar with Multi-Stage Reconstruction

Authors:
Yiran Wang↗Zeyu Zhang↗Yuanming Li↗Ziming Wang↗Yang Zhao↗

High-quality 4D head avatars from one or a few source portraits are central to telepresence, AR/VR, and digital-human interaction. 3D Gaussian Splatting (3DGS) has emerged as the dominant representation, with two complementary regimes (generalizable feed-forward predictors and per-subject refiners) maturing in parallel. However, existing feed-forward predictors are trained on a single dataset family with a hard-coded source count, inheriting the corresponding domain bias. Per-subject refiners require 300K–600K iterations and rely on adaptive densification that destroys upstream Gaussian layouts, preventing the two regimes from sharing a representation end-to-end. To bridge both regimes we propose SpatialAvatar-0 on a shared FLAME-mesh-bound Gaussian representation: a feed-forward generator with a parameter-free K-source mean-pool and a monocular-temporal to multi-view-spatial two-phase schedule that anchors against identity-prior collapse onto the smaller multi-view set. We further introduce a 10K-iter layout-preserving per-subject refinement loop that freezes the FLAME-binding and Gaussian count and replaces densification with a three-component anti-spike regularization. On VFHQ/HDTF cross-domain zero-shot we surpass the in-domain leader GAGAvatar by +1.5 dB PSNR despite never training on either test domain, and on the SplattingAvatar monocular benchmark we lead every reported metric, surpassing the 300K-iter GeoAvatar by +1.3 dB PSNR at up to 60x shorter per-subject schedule than common SOTA baselines. Website: https://spatialwalk.github.io/SpatialAvatar-0.

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

Conditional Score-Based Modeling of Effective Langevin Dynamics

Authors:
Ludovico T. Giorgini↗

arXiv:2604.23952v2 Announce Type: replace-cross Abstract: Stochastic reduced-order models are widely used to represent the effective dynamics of complex systems, but estimating their drift and diffusion coefficients from data remains challenging. Standard approaches often rely on short-time trajectory increments, state-space partitioning, or repeated simulation of candidate models, which become unreliable or computationally expensive for high-dimensional systems, coarse temporal sampling, or unevenly sampled data. We introduce a data-driven calibration method based on a novel relationship between the coefficients of a stochastic reduced model and the conditional score of the finite-time transition density, defined as the gradient of the logarithm of the transition density with respect to the initial state. The resulting identity expresses derivatives of lagged correlation functions as stationary expectations over observed lagged pairs involving this conditional score and the unknown model coefficients. This formulation allows the drift and diffusion structure to be constrained directly from finite-lag statistics, without differentiating trajectories, partitioning state space, or repeatedly integrating candidate reduced models during calibration, yielding a least-squares fitting problem over stationary lagged pairs. We validate the approach on three systems of increasing complexity: an analytically tractable Cox–Ingersoll–Ross diffusion, a two-dimensional nonequilibrium diffusion with affine multiplicative noise, and a periodic soft-spin stochastic Landau–Lifshitz chain. Across these tests, the inferred models preserve the invariant statistics while reproducing finite-lag dynamical correlations. The framework provides a scalable route for learning stochastic reduced-order models from data that reproduce prescribed statistical and dynamical properties.

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12.
arXiv (CS.AI) 2026-06-24

Beyond U-Net: A Latent-Representation-Aligned Skip-Free Backbone for Flow-Matching Speech Enhancement

Authors:
Wangyi Pu↗Michele Scarpiniti↗

arXiv:2606.24745v1 Announce Type: cross Abstract: Generative models, particularly diffusion and score-based approaches, have recently achieved strong performance in speech enhancement, but their iterative sampling process limits real-time deployment. Flow Matching offers an efficient alternative by transporting noisy speech toward clean speech through an ordinary differential equation with few function evaluations. In this work, we propose a skip-free encoder-decoder backbone for flow-matching speech enhancement, guided by Latent Representation Alignment (LRA). Instead of relying on U-Net skip connections, which may transfer noise-correlated low-level features to the decoder, the proposed model aligns its bottleneck and decoder representations with clean latent features extracted from a frozen Descript Audio Codec encoder-decoder without quantization. This codec-aligned supervision promotes compact clean-speech representations while preserving efficient few-step inference. Experiments on WSJ0-CHiME3 and VoiceBank-DEMAND show improved PESQ and perceptual quality, especially on VoiceBank-DEMAND, using only five function evaluations.

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13.
arXiv (quant-ph) 2026-06-11

A saturation-absorption rubidium magnetometer with multilevel optical Bloch-equation modeling for intermediate-to-high fields

Authors:
Mayand Dangi↗Prateek Rajan Gupta↗Joseph Kasti↗Nivedan Vishwanath↗Michael Zepp↗David Smith↗Benedikt Geiger↗Jennifer T. Choy↗

arXiv:2601.09115v2 Announce Type: replace Abstract: We present SASHMAG (Saturated Absorption Spectroscopy High-field MAGnetometer), an atomic sensor designed for precision magnetic-field measurements in the intermediate-to-high field regime ($>0.2\,T$) using Rubidium-87 ($^{87}Rb$). The sensor operates in the hyperfine Paschen-Back regime, where the hyperfine and Zeeman interactions decouple, and utilizes counter-propagating pump-probe configuration in Faraday geometry to resolve isolated, Doppler-free Zeeman transitions. To interpret the resulting spectra in this strongly field-dependent regime, we developed a comprehensive multilevel optical Bloch-equation model solved explicitly in the uncoupled $\ket{m_I, m_J}$ basis, capturing state mixing and nonlinear saturation dynamics. This model reproduces measured spectra at sub-Doppler resolution and is consistent with analytical expectations for power broadening and thermal Doppler scaling. Magnetic field estimation is performed using a physics-constrained optimization routine that infers the magnetic field by minimizing the residual between experimentally extracted line centers and calculated transition frequencies from the field-dependent Hamiltonian. We demonstrate magnetic field retrieval from $0.2\,T$ to $0.4\,T$ with a precision of $\pm 0.0017 \,T$). Furthermore, the validated simulation establishes a foundation for generating synthetic training datasets, paving the way for autonomous, Machine Learning-enhanced magnetometry in applications ranging from MRI to fusion reactors.

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14.
arXiv (CS.AI) 2026-06-19

Spatial-Aware Reduction Framework: Towards Efficient and Faithful Visual State Space Models

Authors:
Jindi Lv↗Aoyu Li↗Yuhao Zhou↗Zheng Zhu↗Xiaofeng Wang↗Qing Ye↗Yueqi Duan↗Wentao Feng↗Jiancheng Lv↗

arXiv:2606.19932v1 Announce Type: cross Abstract: Mamba demonstrates strong efficiency in modeling long visual sequences. However, when token reduction is applied to structurally enhanced Mamba variants, these models exhibit a severe performance collapse. We attribute this degradation to the spatially agnostic nature of existing reduction methods, which violate the two-dimensional structural premise required by the selective scanning mechanism. In this work, we propose STORM, a spatial-aware token reduction framework designed to maintain structural integrity throughout the compression process. STORM reformulates reduction into a structured operation on spatial units, enforcing localized constraints to maintain both grid topology and neighborhood coherence. As a plug-and-play module, STORM equips existing reduction pipelines with explicit spatial awareness without any training. Empirical results demonstrate that STORM achieves state-of-the-art pruning accuracy across diverse vision Mamba backbones under training-free settings. Notably, STORM delivers a substantial accuracy recovery on VMamba, outperforming prior methods by up to 63.3\% in top-1 accuracy. Meanwhile, STORM incurs only a 1.0\% accuracy drop on PlainMamba, achieving performance comparable to ViT.

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

VitalAgent: A Tool-Augmented Agent for Reactive and Proactive Physiological Monitoring over Wearable Health Data

Authors:
Di Zhu↗Yu Yvonne Wu↗Hong Jia↗Aaqib Saeed↗Vassilis Kostakos↗Ting Dang↗

arXiv:2605.29483v2 Announce Type: replace Abstract: Wearable devices enable continuous monitoring of physiological signals such as ECG and PPG, but existing mHealth systems are largely limited to task-specific prediction pipelines or reactive question answering over static summaries. They lack the ability to support temporal reasoning, persistent physiological context, and proactive monitoring over long-term signal streams. We propose VitalAgent, a tool-augmented agentic framework for ECG/PPG-based mHealth that supports both reactive question answering and proactive monitoring. VitalAgent is built on a longitudinal physiological memory and a tool-augmented reasoning interface that enables dynamic computation over raw signals. We further introduce VitalBench, a longitudinal physiological monitoring benchmark dataset comprising 1,862 QA pairs for reactive question answering and 90.2 hours of continuous ECG/PPG recordings for proactive monitoring, covering cardiac, physical activity, and stress-related tasks. Experiments demonstrate that VitalAgent achieves over 25% improvement over prompt-based and ReAct baselines in reactive evaluation and supports proactive alert monitoring over long-term physiological signals, highlighting the importance of dynamic tool use and long-term physiological monitoring.

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

Sparsified Kolmogorov-Arnold Networks for Interpretable Quantum State Tomography

Authors:
Xinge Wu↗Huaxin Wang↗Jiajun Liu↗Ruiqing He↗Jiandong Shang↗Hengliang Guo↗Qiang Chen↗

arXiv:2606.11814v1 Announce Type: cross Abstract: Machine-learning approaches to quantum state tomography can achieve high reconstruction fidelity, but the physical structure used by the trained model often remains implicit. Here we ask whether a sparsified Kolmogorov-Arnold Network (KAN) can be used not only as a regressor, but also as an inspectable reconstruction rule whose internal organization can be checked against known Pauli structure. We study a controlled three-qubit GHZ-family benchmark in which all 63 non-identity Pauli expectation values are used to reconstruct three GHZ-subspace variables: the population imbalance $z$, the real off-diagonal component $c$, and the imaginary off-diagonal component $s$. Under finite-shot sampling and depolarizing noise, external ablation identifies the extended 12-channel GHZ-relevant Pauli set from the 63 measurements, with exact top-12 recovery across the tested shot counts and depolarizing-noise strengths. These support patterns remain stable across multi-seed random-initialization and noise-level analyses, and collapse under random-label controls. The dominant pruned input-hidden-output pathways organize Z-type population observables and X/Y off-diagonal observables in a pattern consistent with the analytic GHZ Pauli grouping, and sparse formula recovery recovers the canonical signed Pauli relations. The contribution of the KAN is therefore pathway-level structural interpretability within a neural reconstruction model, rather than superior sparse regression. Together with negative controls, these probes provide a consistency chain for auditing learned reconstruction rules against known physical structure.

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

Track2View: 4D-Consistent Camera-Controlled Video Generation via Paired 3D Point Tracks

Authors:
Feng Qiao↗Zhaochong An↗Zhexiao Xiong↗Serge Belongie↗Nathan Jacobs↗

Re-rendering an existing video from a novel camera viewpoint requires the output to follow the prescribed camera trajectory while preserving the appearance and dynamics of the original scene across every frame. Existing methods rely on per-frame pose embeddings, noisy point-cloud renderings, or implicit learned correspondences, none of which provides an explicit, temporally continuous link between source and target pixels. We propose Track2View, which conditions a video diffusion transformer on paired 3D point tracks: sparse trajectories of scene points projected into both the source and target camera views. These tracks provide explicit spatiotemporal correspondences that are temporally continuous by construction, encoding what content should appear where and when. At the core of Track2View is a dual-view track conditioner that transfers visual context from source to target view through parameter-free geometric operations and learned temporal aggregation, ensuring generalization to arbitrary camera trajectories without memorizing specific motions. We further introduce a data curation pipeline that extracts one-to-one track correspondences by running a 3D point tracker on temporally concatenated multi-camera view pairs. On a 400-video benchmark spanning static and dynamic scenes, Track2View achieves state-of-the-art results across visual quality, view synchronization, and camera accuracy, reducing rotation error by 30-65% and translation error by 61-72% relative to leading baselines. Project page is available at this https URL: https://qjizhi.github.io/track2view

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18.
arXiv (CS.AI) 2026-06-12

PhononBench:A Large-Scale Phonon-Based Benchmark for Dynamical Stability in Crystal Generation

Authors:
Xiao-Qi Han↗Ze-Feng Gao↗Wen-Kao Li↗Peng-Jie Guo↗Zhong-Yi Lu↗

arXiv:2512.21227v3 Announce Type: replace-cross Abstract: In recent years, generative artificial intelligence has made significant advances in the design of crystalline materials, giving rise to approaches based on graph neural networks, diffusion models, and large language models. Existing evaluations commonly follow the stability-uniqueness-novelty (S.U.N.) framework, where stability is primarily assessed using thermodynamic criteria, which do not fully capture the dynamical stability essential for a material's practical existence. Dynamical stability is a key determinant of whether a material can be synthesized and persist, with phonon spectrum calculations serving as the standard for its evaluation. However, the high computational cost of such calculations has prevented large-scale assessment of dynamical stability in generated crystals. In this work, we introduce PhononBench, the first large-scale benchmark for dynamical stability in AI-generated crystals. Leveraging the recently developed MatterSim interatomic potential, which achieves density-functional-theory (DFT)-level accuracy in phonon predictions across more than 10,000 materials, PhononBench enables efficient phonon calculations and dynamical-stability analysis for 133,838 crystal structures generated by 7 leading crystal generation models. PhononBench reveals a widespread limitation of current generative models: unless otherwise specified, all reported dynamical-stability metrics are evaluated at a phonon-frequency threshold of -0.1 THz, with the average dynamical-stability rate across all generated structures being only 32.15%, and the top-performing model, MatterGen, reaching just 45.05%.In addition, we identify 32,995 crystal structures that are phonon-stable across the entire Brillouin zone under a strict threshold of -0.001 THz. In addition, a web-based service is accessible at http://phononbench.cn/, enabling minute-level ultra-fast phonon predictions.

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19.
arXiv (quant-ph) 2026-06-24

The most discriminable quantum states in the multicopy regime

Authors:
Maria Kvashchuk↗Polina Chernyshova↗Lucas E. A. Porto↗Ties-A. Ohst↗Lucas B. Vieira↗Marco T\'ulio Quintino↗

arXiv:2604.26927v2 Announce Type: replace Abstract: This work investigates which sets of quantum states give rise to the highest achievable success probability in minimum-error state discrimination if multiple copies of the unknown state are given. Specifically, we consider uniformly distributed ensembles of the form $\left\{\frac{1}{N},\rho_i^{\otimes k}\right\}_{i=1}^N$, where $N$ states in dimension $d$ are provided in $k$ identical copies, and derive universal limits in this scenario. For pure state ensembles, we prove that whenever $N$ is large enough to support a state $k$-design, these designs will exactly give rise to the maximally discriminable sets. We further show that when $N$ exceeds the size required for a $k$-design, mixed states can outperform all pure state ensembles. We then recognise that the problem of most discriminable classical states in the multi-copy regime is in one-to-one correspondence to the concept of the multiplicative Bayes capacity of independent uses of classical channels, a concept that emerges naturally in the context of classical information leakage. This connection allows us to completely solve the classical analogue of our problem when $N\geq \binom{d + k - 1}{k}$, and to prove that quantum systems offer a quadratic advantage (in number of copies $k$) over classical ones. Then, we prove that this classical over quantum advantage is strongly reduced when one is restricted to real quantum states, more precisely, when $N \geq k + 1$, pure real qubits only offer a constant advantage over classical bits. Finally, we introduce computational techniques to find sets of most discriminable ensembles and to obtain rigorous universal upper bounds on the maximal success probability for multi-copy state discrimination in cases that are analytically intractable.

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20.
arXiv (quant-ph) 2026-06-24

When does dissipation help neural surrogates learn open quantum dynamics?

Authors:
Alauddin Ahmed↗

arXiv:2606.23894v1 Announce Type: new Abstract: Dissipation is usually viewed as an obstacle to predicting quantum dynamics, yet it can also contract trajectories toward steady states and thereby suppress accumulated prediction errors, leaving it unclear whether dissipation ultimately helps or hinders the learnability of open quantum dynamics. We investigate this question using Neural Ordinary Differential Equation (NODE) surrogates for open Heisenberg XYZ spin chains. Closed-system learnability deteriorates rapidly with system size, culminating in a static-prediction collapse at four qubits; dissipation reverses this trend, creating a broad high-fidelity regime at intermediate system sizes, while at four qubits a fidelity-aware objective recovers learnable rollout structure that is absent under closed-system training. Comparison against static and steady-state baselines reveals that dissipation improves performance through two fundamentally different mechanisms: at weak-to-moderate dissipation the surrogate captures nontrivial transient dynamics and substantially outperforms trivial predictors, whereas at stronger damping high fidelity increasingly reflects trajectory simplification toward the steady state rather than improved learned dynamics. These results show that dissipation can enhance the learnability of open quantum dynamics, but that fidelity alone is insufficient to distinguish genuine dynamical learning from steady-state trivialization: dissipative contraction and trajectory simplification are distinct effects that peak in different regimes and should be disentangled when evaluating learned quantum-dynamical surrogates.

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21.
arXiv (CS.AI) 2026-06-11

Implicit Neural Representations of Individual Behavior

Authors:
Andrew Kang↗Priya Narasimhan↗

arXiv:2606.12200v1 Announce Type: cross Abstract: We study policy representation learning from unlabeled multi-policy behavioral data. Each episode is generated by a fixed policy, but policy labels are unavailable. This setting appears in robotics play, demonstrations, games, racing, and other datasets where heterogeneous behaviors are mixed without annotations. We introduce Behavioral INR, a self-supervised generative model that adapts implicit neural representations (INRs) from vision to behavior. Instead of mapping coordinates to RGB values, Behavioral INR represents a policy as a state-action function mapping states to subsequent actions. An episode-level latent modulates this function through FiLM layers, yielding a generative prior over policies and allowing policy identity to be inferred without supervision. Because INRs treat each datapoint as samples from an underlying function, the same model naturally accommodates variable episode lengths and different sampling granularities, as in vision INRs with different image resolutions. We also define policy-level out-of-distribution (OOD) shifts along state-distribution and action-distribution axes, which arise when policies overlap in states or actions but are not captured by standard behavioral OOD settings based only on new agents or environments. We evaluate on synthetic Gaussian random field data, MuJoCo demonstrations with controlled OOD splits, and real-world chess, Formula 1 racing, robotics, and Seek-Avoid datasets. Behavioral INR most consistently improves policy identifiability in the hardest continuous state-action settings, especially when longer episodes, more policies, and OOD splits reduce the usefulness of marginal shortcuts; amortized history encoders remain competitive when policy identity can be recovered from symbolic repetition or low-dimensional action statistics. We release code and checkpoints.

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22.
arXiv (CS.CV) 2026-06-16

HiRo: A Compact Four-Directional Hierarchical Reservoir Token-Mixer for Efficient Image Classification

Authors:
Md Farhadul Islam↗Ishan Thakkar↗J. Todd Hastings↗

Recent image classification models must balance local feature modeling, cross-window interaction, and parameter efficiency. Many high-performing architectures rely on fully trainable token-mixers, which improve representation learning but increase parameter count, optimization complexity and computational cost. We propose a parameter-efficient image classification model called HiRo that integrates shifted-window partitioning with multi-directional hierarchical reservoir computing. Images are divided into non-overlapping patches (treated as tokens), linearly projected, normalized, and enriched with 2D sinusoidal positional encodings, then processed within local windows. Inside each window, tokens are scanned in four directions and passed through a two-stage slice-and-mix reservoir module. In the first stage, directional sequences are split into contiguous slices, each processed by its own fixed reservoir with a trainable closed-loop readout. The resulting slice outputs are summarized using the start, end, and mean representations, and then mixed by a second-stage fixed reservoir for each direction. The mixed slice representations are expanded back to the token level and fused with the first-stage outputs, after which the four directional outputs are realigned and averaged. Consecutive blocks alternate between regular and shifted windows to enable cross-window interaction, followed by layer normalization, a residual feed-forward network, and global pooling for classification. This design combines regular and shifted window partitioning with hierarchical multi-directional reservoirs to make an efficient local-to-cross-window token-mixing framework for image classification. Despite using under 1M trainable parameters and significantly lower memory and time than transformer-style baselines, HiRo also achieves 99.46%, 85.57%, and 59.10% accuracy on MNIST, CIFAR-10, and CIFAR-100, respectively.

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23.
arXiv (math.PR) 2026-06-11

On the Wasserstein distance between a hyperuniform point process and its mean

Authors:
Raphael Butez↗Sandrine Dallaporta↗David Garc\'ia-Zelada↗

arXiv:2404.09549v3 Announce Type: replace Abstract: We study the existence of bounds on the expected $p$-Wasserstein distance between a random measure and its mean under the assumption that the $p$-th centered moments of the counting statistics are controlled uniformly in space. The average Wasserstein transport cost is shown to be bounded from above and from below by some multiples of the number of points. $D$-dimensional versions of those results are also obtained. As a corollary, we prove that for any value of $p\geq 1$ the Ginibre point process can be seen as a perturbed lattice with identically distributed perturbations with a finite $p$-th moment.

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

Biophysical EPR Using Superconducting Resonators

Authors:
Austin R. Gamble Jarvi↗Hamid R. Mohebbi↗Ishit Raval↗Omari Culzac↗Jack Erickson↗Sameh Hegazy↗Don Carkner↗Andrew Wiles↗David G. Cory↗Troy W. Borneman↗

arXiv:2606.23952v1 Announce Type: new Abstract: We present innovations that enable the use of superconducting resonators for high sensitivity, high bandwidth pulsed electron paramagnetic resonance (EPR) measurements on biologically relevant samples with enhanced stability and throughput. A custom-built X-band pulsed EPR spectrometer with AWG and digital IF capability generated by an FPGA was used to control a novel patterned thin film planar superconducting microstrip resonator capable of generating Rabi fields sufficient to achieve 6 ns pi/2 Gaussian pulses using a 100 W solid-state HPA. The system allows automated sequential calibration, measurement, and analysis of five 3.5 uL samples contained in a sample cartridge. Performance was validated through measurements of double electron-electron resonance (DEER) distances in a variety of spin-labeled protein samples with biologically relevant concentrations, including measurements below 10 uM. The results enable broadening the scope of applications for both superconducting resonators and the use of EPR in biotechnology.

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