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01.
arXiv (CS.CV) 2026-06-12

Possibilistic Predictive Uncertainty for Deep Learning

Deep neural networks achieve impressive results across diverse applications, yet their overconfidence on unseen inputs necessitates reliable epistemic uncertainty modeling. Existing methods for uncertainty modeling face a fundamental dilemma: Bayesian approaches provide principled estimates but remain computationally prohibitive, while efficient second-order predictors lack rigorous connections between their specific objectives and epistemic uncertainty quantification. To resolve this dilemma, we introduce Dirichlet-approximated possibilistic posterior predictions (DAPPr), a principled framework grounded in possibility theory. We define a possibilistic posterior over parameters, project it to the prediction space via supremum operators, and approximate the projected posterior using learnable Dirichlet possibility functions. This projection-and-approximation strategy yields a simple training objective with closed-form solutions. Despite its simplicity, extensive experiments across diverse benchmarks show that DAPPr achieves competitive or superior uncertainty quantification performance over state-of-the-art second-order predictors while maintaining both principled derivation and computational efficiency. Code is available at https://github.com/MaxwellYaoNi/DAPPr.

02.
arXiv (quant-ph) 2026-06-11

Split-Evolution Quantum Phase Estimation for Particle-Conserving Hamiltonians

arXiv:2604.14921v2 Announce Type: replace Abstract: We present a hardware demonstration and resource analysis of split-evolution quantum phase estimation (SE-QPE) on a Quantinuum System Model H2 quantum computer. SE-QPE is a modification to canonical QPE for particle-conserving Hamiltonians in which controlled time evolution is replaced by CSWAP-based interference between a target register and a reference register. For factorizations of time evolution with a shared eigenbasis, SE-QPE preserves the phase-register outcome distribution of canonical QPE and, unlike with compute–uncompute substitutions, it remains compatible with non-exact eigenstates. The substitution removes controlled-simulation overhead and enables parallel evolution on two registers, reducing the depth of each phase-kickback block. Resource analysis for Trotterized double-factorized chemistry Hamiltonians shows that the substitution becomes increasingly favorable at higher phase powers and combining QPE and SE-QPE implementations can be a useful option. Over a range of FeMoco active spaces, SE-QPE reduces time evolution resources, with asymptotic reductions of about 33% in CX count, 25% in $T$ count, and an asymptotic depth ratio of $3/N$ for CX layers. On Quantinuum H2-2, a four-qubit model ethylene demonstration with explicit inverse QFT and repeated phase-kickback steps up to 8 phase bits yields distinct energies and shows the auxiliary registers provide useful error detection filters.

03.
arXiv (math.PR) 2026-06-12

Mixing times of one-sided $k$-transposition shuffles

arXiv:2112.05085v2 Announce Type: replace Abstract: We study mixing times of the one-sided $k$-transposition shuffle. We prove that this shuffle mixes relatively slowly, even for $k$ big. Using the recent ``lifting eigenvectors'' technique of Dieker and Saliola and applying the $\ell^2$ bound, we prove different mixing behaviors and explore the occurrence of cutoff depending on $k$.

04.
arXiv (CS.AI) 2026-06-15

FreoStream:Enhancing Stream Guardrails via Future-Aware Reasoning and Safety-Aligned Optimization

arXiv:2606.13737v1 Announce Type: cross Abstract: Stream guardrails enable token-level safety detection before full responses are generated. However, they often make overly conservative judgements and block those sensitive but safe tokens, which is known as over-refusal. Due to lack of full context, they also fail to detect implicitly harmful content from jailbreaking. To address these challenges, we propose FreoStream, a novel streaming guardrail framework. Specifically, FreoStream fine-tunes a LoRA module to perform Future-Aware Reasoning when the base guardrail detects unsafe tokens. The reasoning process follows a Future-Reason-Judge paradigm: predict the future, reason about the full context and give the final judgement. This design can effectively reduce over-refusal by incorporating the future information. Moreover, we introduce the Safety-Aligned Optimization module that extracts the safety-aligned component from the reasoning gradients to update the base guardrail model, thereby enhancing streaming safety detection. Extensive experiments on various safety benchmarks demonstrate that FreoStream achieves lower over-refusal rates and better jailbreak defense compared to existing streaming guardrails.

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

NRITYAM: Language Models Meet Art and Heritage of Dance

Language models have become essential tools in shaping modern workflows. However, their global effectiveness hinges on a nuanced understanding of local socio-cultural contexts. To address this gap, we present NRITYAM, a comprehensive benchmark for evaluating the cultural comprehension capabilities of language models in the context of global dance traditions. NRITYAM comprises 9,260 carefully curated question-answer pairs spanning 12 languages, making it the largest dataset dedicated to evaluating cultural knowledge in dance. The dataset has been developed from the ground up through close collaboration with native dance artists and native speakers of the languages, who authored and validated culturally relevant questions specific to their regions. We evaluate a broad set of models, including large language models, small language models, multimodal large language models, and small multimodal language models. As a multilingual and multicultural benchmark, NRITYAM sets a new standard for evaluating the ability of AI systems to understand and reason about traditional performing arts. Detailed dataset samples are available at~\url{https://github.com/niladrighosh03/NRITYAM}.

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

Hellinger Multimodal Variational Autoencoders

arXiv:2601.06572v4 Announce Type: replace-cross Abstract: Multimodal variational autoencoders (VAEs) are widely used for weakly supervised generative learning with multiple modalities. Predominant methods aggregate unimodal inference distributions using either a product of experts (PoE), a mixture of experts (MoE), or their combinations to approximate the joint posterior. In this work, we revisit multimodal inference through the lens of probabilistic opinion pooling, an optimization-based approach. We start from Hölder pooling with $\alpha=0.5$, which corresponds to the unique symmetric member of the $\alpha-divergence$ family, and derive a moment-matching approximation, termed Hellinger. We then leverage such an approximation to propose HELVAE, a multimodal VAE that avoids sub-sampling, yielding an efficient yet effective model that: (i) learns more expressive latent representations as additional modalities are observed; and (ii) empirically achieves better trade-offs between generative coherence and quality, outperforming state-of-the-art multimodal VAE models.

07.
medRxiv (Medicine) 2026-06-19

Grey- and white-matter resilience to tau, cognition and sex in Alzheimer's disease

INTRODUCTION: Brain resilience to tau has been mainly studied in relation to grey matter, while its role in white matter remains unclear in Alzheimer's disease (AD). Sex may moderate associations between brain resilience and cognition. METHODS: We analyzed medial temporal lobe tau PET SUVR, entorhinal cortical thickness, cingulum-hippocampal mean diffusivity, and cognition in 205 amyloid-positive individuals from ADNI. Associations between grey- and white-matter resilience to tau and cognitive performance or decline were examined using linear and mixed-effects models, including sex interactions and stratified analyses. RESULTS: Higher grey-matter resilience to tau related to better cross-sectional memory and language performance (p

08.
arXiv (CS.LG) 2026-06-15

How Task Structure Limits Multi-Agent Success: An Information-Theoretic Analysis

arXiv:2606.13733v1 Announce Type: cross Abstract: Multi-agent systems (MAS) were expected to overcome the limitation of single-agent systems (SAS) through collaboration. However, under typicality conditions on the task's constraint graph and bounded inter-agent communication, we prove that the success probability of a MAS is closely tied to the connectivity of task constraints, where each agent has limited information-processing capacity. Specifically, the success probability decays exponentially with an information bottleneck that emerges from partitioning the task's constraint graph among agents. We define this quantity as the minimum cut cost $C_{\min}$ of the potential constraint graph of each task. This information-theoretic bound applies to both open systems with external feedback and closed systems without. We validate our theory on both synthetic experiments and real-world empirical data from SWE-bench submissions. From our framework, effective MAS design should incorporate task-inherent constraints alongside engineering optimization, and when $\Cmin$ is high, practitioners should restructure tasks rather than simply scaling agents or communication.

09.
arXiv (CS.CV) 2026-06-24

FLAT: Feedforward Latent Triangle Splatting for Geometrically Accurate Scene Generation

Generating explorable 3D scenes from a single image requires strong generative priors and accurate geometric representations suitable for downstream use. Current video diffusion models offer high-quality generation and implicitly encode multi-view geometric structure in latent space. However, existing feedforward latent scene decoders typically output volumetric 3D Gaussians that lack a well-defined surface, limiting their use in simulation or standard graphics pipelines. This motivates decoding surface-aligned primitives that are not only renderable but also closer to explicit geometric assets. We ask whether compressed video diffusion latents can be mapped directly to explicit surface primitives in a single pass. To this end, we introduce FLAT and, for the first time, show that triangle splats can be decoded directly from video diffusion latents. Compared with decoding 3D Gaussians, predicting flat primitives is notoriously more challenging due to high sensitivity to primitive orientations, oftentimes leading to poor gradient flow. FLAT solves with two key ingredients: a ray-centered rotation parameterization for triangle regression and a novel product window function that improves gradient flow during differentiable triangle rendering. On standard benchmarks, FLAT achieves significantly better geometric accuracy while maintaining competitive visual quality compared to state-of-the-art feedforward baselines. We further show that a lightweight test-time refinement step converts the predicted triangle soup into a fully opaque, game-engine-ready representation that supports real-time rendering. By evaluating 3DGS, 2DGS, and triangle splatting variants under an identical training setup, we provide the first systematic analysis of representation tradeoffs in feedforward scene generation. The project page is available at https://flat-splat.github.io

10.
arXiv (CS.CL) 2026-06-12

Unraveling Syntax: Language Modeling and the Substructure of Grammars

While language models achieve impressive results, their learning dynamics are far from understood. Many domains of interest – such as natural language syntax, coding languages, arithmetic – are captured by context-free grammars (CFGs). In this work, we extend prior work on neural language modeling of CFGs in a novel direction: how language modeling behaves with respect to CFG substructure, namely subgrammars. We define subgrammars, and prove a set of fundamental theorems connecting language modeling and subgrammars. We show that language modeling loss recurses linearly over its top-level subgrammars; applied recursively, the loss decomposes into losses for "irreducible" subgrammars. Under additional assumptions, and empirically, parametrized models learn subgrammars in parallel, unlike children who first master simple substructures. We find that subgrammar pretraining can improve final performance, but only for tiny models relative to the grammar, while alignment analyses show that pretraining consistently leads to internal representations that better reflect the grammar's substructure.

11.
arXiv (CS.CV) 2026-06-24

BenchX: Benchmarking AI Models for Cancer Detection and Localization with Demographic and Protocol Biases

Artificial intelligence (AI) has achieved remarkable success in medical imaging, but it is widely recognized that these models often perform inconsistently across real-world clinical settings. Such inconsistencies occur when patient demographics and imaging protocols vary, for example, in detecting small tumors, analyzing scans from different contrast phases, or evaluating patients of different ages or sexes. To quantify these inconsistencies, we develop a large-scale, open benchmark of 85,355 CT scans that systematically evaluates 12 tumor-detection AI models across tumor size, location, patient subgroup, and imaging protocol. We leverage large language models (LLMs) to extract and organize subgroup information from clinical data, which makes the analysis both scalable and reproducible. Our benchmark reveals that current state-of-the-art AI models, optimized for average accuracy, perform poorly in rare or underrepresented subgroups, such as young, female African Americans. However, collecting sufficient annotated data for these rare cases is often impractical. The benchmark provides a foundation for building more reliable and robust AI models for tumor detection and highlighting the need for rigorous, subgroup-level evaluation in medical imaging and computer vision. Datasets, code

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

Spherical-to-ERP Epipolar Rectification for Single-Axis Disparity in 360 Stereo

Omnidirectional stereo images provide full-surround perception but violate the geometric assumptions of classical disparity estimation: in spherical or fisheye views, epipolar correspondences follow curved great-circle paths, producing two-dimensional displacements that cannot be treated as single-axis disparity before geometric rectification. In this work, we adopt a standard spherical-to-equirectangular (ERP) projection as a preprocessing step, which straightens epipolar curves and restores a one-dimensional disparity structure - horizontal for left-right rigs and vertical for top-bottom rigs. Building on our previously introduced RAFT + Epipolar-Aligned Channel Selection (EACS) framework, originally developed for rectilinear and ERP stereo, we examine whether the same modular pipeline remains accurate when the input originates from spherical stereo imagery. After ERP projection, dense optical flow from RAFT is reduced to disparity by retaining only the baseline-aligned flow component. Experiments on synthetic fisheye stereo datasets show that this spherical-to-ERP-to-RAFT+EACS pipeline produces accurate, smooth, and structurally consistent disparity maps at real-time speed. These findings confirm that established ERP preprocessing can be effectively combined with our earlier RAFT+EACS method to enable practical, interpretable, and efficient disparity estimation from spherical stereo, providing a straightforward pathway for extending conventional stereo pipelines to 360 imaging.

13.
medRxiv (Medicine) 2026-06-23

Isolation And Characterization Of Bacteria Associated With Urethritis In Women Within Child Bearing Age Attending Local African Health Clinics

Background: Urethritis in women of childbearing age constitutes a significant but underreported burden of reproductive morbidity in Sub-Saharan Africa, where diagnostic constraints often necessitate suboptimal syndromic management. Methods: To identify the localized etiological profile, mid-stream urine and urethral swab specimens were prospectively collected from symptomatic women attending local clinics, subjected to standard microbiological culture, and characterized using rigorous phenotypic and biochemical diagnostic protocols. Results: Microbiological analysis successfully isolated a high prevalence of both Gram-negative and Gram-positive uropathogens, predominantly Escherichia coli, Staphylococcus aureus, and Klebsiella pneumoniae, demonstrating distinct phenotypic traits characteristic of the regional microbial ecology. Conclusion: The pronounced isolation of these specific bacterial agents highlights the critical inadequacy of generalized empirical treatments and underscores the urgent need for tailored diagnostic criteria in resource-limited African healthcare settings.

14.
arXiv (CS.CL) 2026-06-11

LibriConvo: Simulating Conversations from Read Literature for ASR and Diarization

We introduce LibriConvo, a synthetic conversational speech corpus for speaker diarization and automatic speech recognition (ASR), built by instantiating the previously proposed Speaker-Aware Simulated Conversation (SASC) framework in a dataset and benchmarking setting. The main contribution of this paper is a corpus construction pipeline and benchmark derived from that framework. To make the data more suitable for downstream ASR and diarization, conversational timing statistics are estimated from English CallHome using external voice activity detection, long pauses are compressed, LibriTTS utterances are grouped by book to improve local semantic continuity, and room impulse responses are selected with a spatial-plausibility heuristic. The resulting corpus contains 240.1 hours of audio across 1,496 dialogues involving 830 speakers, partitioned into speaker-disjoint train, validation, and test splits. We report baseline results for both diarization and ASR. On the test split, Sortformer outperforms the pyannote pipeline in diarization (11.1\% vs.~24.4\% DER). For ASR, a Fast Conformer-CTC XLarge model fine-tuned with Serialized Output Training achieves 7.29\% WER and 6.97\% cpWER, outperforming zero-shot Whisper-large-v3. These results position LibriConvo as a practical benchmark for studying synthetic conversational speech and for evaluating multi-speaker speech processing systems.

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

Learning from Own Solutions: Self-Conditioned Credit Assignment for Reinforcement Learning with Verifiable Rewards

arXiv:2606.18810v1 Announce Type: cross Abstract: Reinforcement learning with verifiable rewards (RLVR) has driven substantial progress in training LLMs for reasoning tasks, but representative methods such as GRPO assign uniform credit across all tokens, wasting gradient on routine tokens while under-crediting pivotal reasoning steps. Existing token-level credit assignment methods require resources beyond the model's own rollouts. GRPO variants rely on process reward models or ground-truth answers. Knowledge distillation assigns credit through per-token divergence but requires external teachers (On-Policy Distillation) or privileged information (On-Policy Self Distillation). However, these dependencies limit applicability in the pure RLVR setting. We observe that conditioning the model on its own verified trajectories induces a measurable per-token KL divergence between the original and conditioned distributions, and prove that distilling from a self-teacher constructed by verified trajectories leads to infeasible weighted-average solutions when multiple verified trajectories exist. We propose SC-GRPO (Self-Conditioned GRPO), which uses KL divergence mentioned before as a multiplicative weight on GRPO gradients. Across five benchmarks spanning math, code, and agentic tasks, SC-GRPO consistently outperforms 8.1% over GRPO and 5.9% over DAPO with stronger OOD performance. Moreover, SC-GRPO achieves higher performance than OPD.

16.
arXiv (quant-ph) 2026-06-17

Coherent Dark State Formation of a Lead-Vacancy Spin Qubit in Diamond

arXiv:2605.27841v2 Announce Type: replace Abstract: A lead-vacancy (PbV) center in diamond exhibits coherent emission above the liquid helium temperature, making it highly attractive for quantum network applications. Here, we report the magneto-optical and spin properties of PbV centers in diamond. We record a spin lifetime of 12 ms at 7.5 K under large off-axis magnetic field. Furthermore, we observe formation of the coherent dark state by coherent population trapping and estimate a spin dephasing time of 177 ns at 6.5 K. This work demonstrates the outstanding thermal robustness of the PbV spin compared to other group-IV centers above 4 K.

17.
arXiv (CS.CV) 2026-06-24

Bridging the Manifold Gap: Riemannian Residual Line Search for One-Step Image Editing

One-step diffusion editors are fast because they avoid inversion and iterative optimization, but a single transport update must be aggressive enough to realize the target prompt and conservative enough to preserve the source image–and no fixed update strength satisfies both demands across edit types. We treat this tension as a post-hoc candidate-selection problem on top of energy-field transport rather than as a new editing model. Our proposed method, Riemannian Residual Line Search, first builds a stronger edit by estimating the local time curvature of the prompt-delta field and projecting the corrected direction back onto the update norm of the original first-order energy-field transport estimation. It then forms a small residual path from the source image to this strong edit, retains the original first-order output as one candidate, and picks the final image by maximizing target-prompt CLIP alignment. On a 700-sample PIE-Bench++ evaluation across 10 edit type IDs, our method achieves state-of-the-art (SOTA) performance among current one-step update algorithms.

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

How Does the ReLU Activation Affect the Implicit Bias of Gradient Descent on High-dimensional Neural Network Regression?

arXiv:2603.04895v2 Announce Type: replace-cross Abstract: Overparameterized ML models, including neural networks, typically induce underdetermined training objectives with multiple global minima. The implicit bias refers to the limiting global minimum that is attained by a common optimization algorithm, such as gradient descent (GD). In this paper, we characterize the implicit bias of GD for training a shallow ReLU model with the squared loss on high-dimensional random features. Prior work (Vardi and Shamir, 2021) showed that the implicit bias does not exist in the worst-case, or corresponds exactly to the minimum-$\ell_2$-norm interpolating solution under exactly orthogonal data (Boursier et al., 2022). Our work interpolates between these two extremes and shows that, for sufficiently high-dimensional random data, the implicit bias approximates the minimum-$\ell_2$-norm solution with high probability with a gap on the order $\Theta(\sqrt{n/||\lambda||_1})$, where $n$ is the number of training examples and $\lambda$ denotes the spectrum of the data covariance matrix. Our results are obtained through a novel primal-dual analysis that carefully tracks the evolution of predictions, data-span coefficients, as well as their interactions, and show that the ReLU activation pattern quickly stabilizes with high probability over random data.

19.
arXiv (CS.AI) 2026-06-12

"Is This Not Enough?": Asymmetries in Institutional Accountability and Collective Sensemaking in the Case of Canada's Algorithmic Visa Triage System

arXiv:2606.13071v1 Announce Type: cross Abstract: This paper examines how algorithmic accountability in Canada's visa system is articulated institutionally and experienced by applicants across borders. We analyzed Immigration, Refugees and Citizenship Canada (IRCC)'s Algorithmic Impact Assessment (AIA) for the temporary resident visa (TRV) triage system using the algorithmic decision-making adapted for the public sector (ADMAPS) framework and analyzed Reddit discussions among applicants using a mixed-methods approach. We show that while institutional artifacts emphasize transparency, procedural safeguards, and bounded impacts, applicants engage in collective sensemaking to interpret opaque decisions, often relying on peer knowledge amid uncertainty. We identify three asymmetries between how institutional accountability is structured and how people perceive the process: epistemic asymmetry in access to decision logic, jurisdictional asymmetry in exposure shaped by geopolitical positioning, and temporal–relational asymmetry in how waiting and uncertainty are experienced. We emphasize why it is important to shift attention from institutional design to the uneven distribution of experiences with public-sector algorithmic governance. Together, these contributions demonstrate how algorithmic governance systems in the context of transnational migration produce structured asymmetries not captured by institutional disclosure frameworks, and how extending ADMAPS can account for those uneven translations of accountability.

20.
arXiv (quant-ph) 2026-06-16

Sub-Poissonian Statistics and Quantum Non-Gaussianity from High-Harmonic Generation

arXiv:2602.10882v4 Announce Type: replace Abstract: Quantum technologies are powered by platforms to generate complex non-classical states of matter or light to realize applications. We investigate the non-classical properties of high-harmonic generation in semiconductors, an emerging photonic platform. Measuring the click statistics of three double-digit orders, we evaluate witness operators to certify the non-classicality of the generated states. We show that higher-order harmonics driven by a coherent laser are squeezed and entangled. The properties of the emission are well retrieved with an entangled Gaussian state model, obtained by numerical state optimization to multiple observables. Additionally, we perform inter-order heralded measurements to engineer the quantum state of the emission. The heralded states have distinct properties, showing sub-Poissonian photon statistics. Further, we witness the generation of a quantum non-Gaussian state, a resource highly relevant for quantum information. With this, we establish high-harmonic generation as a platform for generating quantum optical resources.

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

NEXUS: Neural Energy Fields for Physically Consistent Contact-Rich 3D Object Dynamics

Physics-grounded video generation requires controllable 3D object dynamics that remain physically consistent under contact, deformation, and external forcing. Existing trajectory-based methods often model isolated physical effects, making it difficult to compose conservative and non-conservative dynamics in contact-rich 3D scenes. We present NEXUS, a neural energy-field framework for contact-rich 3D object dynamics. NEXUS represents each object as a structural graph and constructs dynamic object-object and object-environment contact graphs. Inspired by Hamiltonian Neural Networks, NEXUS formulates motion through scalar energy and dissipation terms rather than directly predicting states or accelerations. Conservative effects, including gravity and elastic deformation, are composed as additive energy terms, while non-conservative effects such as damping and impact-induced energy loss are modeled with learned Rayleigh-style dissipation. Forces are derived by differentiating the energy and dissipation functions and rolled out with a multi-substep semi-implicit integrator. Across controlled trajectory benchmarks, NEXUS improves long-horizon accuracy over representative learned and physics-structured dynamics baselines under varying mechanical properties and physical-effect compositions. We further show that NEXUS trajectories provide effective guidance for contact-rich video generation, improving physical plausibility while maintaining competitive visual quality.

22.
arXiv (CS.AI) 2026-06-11

Ambient Diffusion Policy: Imitation Learning from Suboptimal Data in Robotics

arXiv:2606.12365v1 Announce Type: cross Abstract: We propose Ambient Diffusion Policy, a simple and principled method for imitation learning from suboptimal data in robotics. High-quality, task-specific robot data is expensive and time-consuming to collect, while suboptimal datasets with lower-quality or out-of-distribution demonstrations are abundant. Existing methods that co-train on both data sources in robotics often fail to separate the meaningful and the harmful features in the suboptimal samples. In contrast, our method extracts only the useful features by introducing a new axis to co-training in robotics: noise-dependent data usage. Ambient Diffusion Policy restricts the contribution of suboptimal data during training to only the high and low diffusion times. To rigorously justify our approach, we first observe that robot action data exhibits a spectral power law. This induces two important properties on the optimal Diffusion Policy that we exploit: a global-to-local hierarchy and locality. We theoretically formalize this discussion using a simplified model. Our experiments validate Ambient Diffusion Policy on four types of suboptimal action data (noisy trajectories, sim-to-real gap, task mismatch, and large-scale data mixtures) across six tasks. The results show that it effectively learns from arbitrary sources of suboptimal data. Notably, it outperforms existing co-training baselines by up to 33% when scaled to Open X-Embodiment - a large dataset with heterogeneous data quality and unstructured distribution shifts. Overall, Ambient Diffusion Policy increases the utility of suboptimal demonstrations and expands the set of usable data sources in robotics.

23.
Nature (Science) 2026-06-17

The EU needs to back its ambition to end animal testing with cash

Authors: Unknown Author

The European Union has declared that it wants to stop using animals in chemical safety testing. Its goal will need a timeline and a serious funding commitment. The European Union has declared that it wants to stop using animals in chemical safety testing. Its goal will need a timeline and a serious funding commitment.

24.
arXiv (quant-ph) 2026-06-17

Variational Quantum Eigensolver-Based Quantum Bootstrap Embedding for Molecules

Authors:

arXiv:2606.17095v1 Announce Type: cross Abstract: Simulating strongly correlated molecular systems on near-term quantum hardware remains challenging due to modern hardware's limited quantum volume and moderate-fidelity qubits. One potential way to circumvent this challenge is through bootstrap embedding (BE). Bootstrap embedding breaks molecules into smaller fragments that are then embedded into the "bath" of other fragments in an iterative way. Bootstrap embedding is appealing for quantum simulation because fragmenting the system reduces the qubit requirements for any given fragment. In this work, we develop a quantum bootstrap embedding (QBE) workflow that uses variational quantum eigensolver (VQE) fragment solvers and study the algorithmic choices that determine the overall VQE-QBE algorithm's success. To improve efficiency, we introduce FastAdaptVQE, a sparse matrix-accelerated form of the adaptive variational quantum eigensolver (ADAPT-VQE) that replaces symbolic commutator evaluation with direct statevector linear algebra, and MatrixFreeAdaptVQE, a matrix-free extension that removes the sparse-matrix memory bottleneck that appears when treating larger fragments. We also modify the ADAPT-VQE operator selection step by replacing the purely greedy choice with a look-ahead strategy. Benchmarks on $H_4$ and $F_2$ reach chemical accuracy, within 1 kcal/mol of bootstrap embedding results using a full configuration interaction (FCI) solver. These results show that combining QBE with VQE can accurately calculate energies of molecular systems. This research lays the foundation for extending energy calculations to larger molecular systems and quantum materials on near-term quantum hardware.

25.
arXiv (CS.CV) 2026-06-16

Comparing Human Gaze and Vision-Language Model Attention in Safety-Relevant Environments

Human visual attention plays an important role in how people perceive and respond to environments containing potential risks. This study investigates whether large vision-language models can identify the same regions of a scene that attract human attention in safety-relevant environments. Eye-tracking data were collected from ten participants viewing 33 scene images representing environments with varying levels of potential risk using Pupil Invisible wearable glasses. Gaze coordinates were mapped onto stimulus images to generate population-averaged human gaze heatmaps. In parallel, GPT-4o was prompted through the OpenAI Vision Application Programming Interface (API) to generate spatial predictions of visual attention, which were converted into saliency maps for comparison with human gaze patterns. Spatial alignment between human gaze heatmaps and model-generated saliency maps was evaluated using four complementary metrics: Pearson correlation (r = 0.515 +- 0.117), Normalised Scanpath Saliency (NSS = 0.988 +- 0.323), Kullback-Leibler divergence (KL = 1.766 +- 0.844), and Area Under the Receiver Operating Characteristic Curve using the Judd formulation (AUC-Judd = 0.806 +- 0.076). A cross-model comparison with Gemini Pro, Gemini Flash, and Claude showed that all models exceeded the AUC-Judd chance baseline of 0.5 and achieved positive NSS scores. Gemini Pro demonstrated the strongest spatial localisation according to three of the four metrics, whereas GPT-4o produced the closest distributional match to human attention as measured by KL divergence. These findings suggest that large vision-language models can identify regions that broadly correspond to where humans direct visual attention in safety-relevant scenes without requiring eye-tracking training data. The results highlight the potential of vision-language models as a scalable tool for approximating human attentional patterns.