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01.
arXiv (quant-ph) 2026-06-25

Constraint-Aware Quantum Optimization of Defect Configurations in Doped ZrO2: XY-Mixer QAOA and Grover Adaptive Search

Authors:
Huajing Song↗

arXiv:2606.24922v1 Announce Type: new Abstract: Quantum optimization offers a route to searching the large defect-configuration spaces that arise in materials design. We develop an end-to-end, constraint-aware quantum optimization workflow for composition-defect search in a doped ZrO2 thermal-barrier-coating (TBC) material system, using a MACE-MPA-0 energy dataset to fit a 24-variable QUBO over 8 cation-occupation and 16 oxygen-vacancy variables with exactly two rare-earth substitutions and one oxygen vacancy, yielding 448 feasible configurations. The QUBO surrogate reproduces the MACE energies with held-out R2 = 0.997 (full-data R2 = 0.999, RMSE = 17 meV). We validate two complementary quantum pathways against exact enumeration: a constraint-preserving XY-mixer QAOA that confines sampling to the feasible subspace and places 86% of probability mass within 1 meV of the MACE optimum at depth p = 3, and a fault-tolerant constrained Grover Adaptive Search oracle with explicit fixed-point arithmetic, branch-safe comparison, feasibility checking, and phase kickback. Across threshold cases, the validated oracle uses 324 high-level logical qubits, or 352 to 358 with conservative clean-ancilla v-chain accounting, and requires 3.6 to 4.3 x 104 Toffoli gates per Grover (GAS) iteration. An idealized feasible-space amplification estimate suggests up to a 240x reduction in total Toffoli cost relative to the full 224 occupation space, providing a resource-estimation bridge between materials-informed QUBO modeling, constraint-aware QAOA, and fault-tolerant threshold search.

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

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

Authors:
Marta Vallejo↗Siwen Wang↗

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.

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03.
arXiv (CS.CL) 2026-06-25

Story Operators: Decomposing the Original $\to$ Sequel Transformation in Embedding Space

Authors:
W. Frederick Zimmerman↗

I treat a book as a point in a sentence-embedding space and a literary transformation as an operation on points. Given an original novel and its sequel, I ask what it takes, geometrically, to turn the first into the second. Using all-mpnet-base-v2 paragraph embeddings drawn from a precomputed index of the PG19 corpus, I form the displacement $d=\bar{x}_seq-\bar{x}_orig$ and greedily decompose it along a content basis obtained by PCA over the two books' own paragraphs. Each component is an interpretable axis anchored by real passages at its poles. Across thirteen verified author pairs from Project Gutenberg, the decomposition reveals a small taxonomy of sequels: formulaic (a tiny, low-rank change: Doyle's Holmes collections, $\|d\|=0.12$), concentrated (one dominant axis: Alcott's Little Women $\to$ Little Men, 75% on a single move), and compositional (many small axes: Twain, Burroughs's Barsoom, Nesbit). For the canonical case, Tom Sawyer $\to$ Huckleberry Finn, the dominant recovered axis is structural – the collapse of sheltering domesticity into a picaresque road – rather than the famous surface themes of vernacular voice or slavery, which ride later, smaller axes; and the transformation routes through adventure-journey space rather than diluting toward generic realism. I corroborate the recovered geometry against Twain's documented authorial intent (his 1875–76 letters to Howells), which names the first-person picaresque move years in advance, and I quantify, with an explicit representation caveat, how much of the realized transformation his stated intentions span. All computations are reproducible from the released scripts and data.

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04.
arXiv (quant-ph) 2026-06-19

Sparse Configuration Interaction for the Electronic Schrödinger Equation Revisited: Complete Basis Set Limit Complexity and Quantum-Encoding Impact

Authors:
Michael Griebel↗Jan Hamaekers↗

arXiv:2606.20385v1 Announce Type: new Abstract: In this article we revisit regularity results for eigenfunctions in the discrete spectrum of the electronic Schrödinger equation and study their consequences for approximation complexity. In particular, for the convergence to the complete basis set limit, it can be shown that the curse of dimensionality in the leading algebraic exponent can be mitigated. That is, for general sparse grid constructions, the main term of the convergence rate with respect to the number of degrees of freedom is independent of the number of electrons. These insights indicate potential benefits for classical numerical solvers of the electronic Schrödinger equation and also for quantum-computing approaches through new qubit-efficient wavefunction encodings.

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05.
arXiv (quant-ph) 2026-06-12

Exotic critical states as fractional Fermi seas in the one-dimensional Bose gas

Authors:
Alvise Bastianello↗Yi Zeng↗Sudipta Dhar↗Zekui Wang↗Xudong Yu↗Milena Horvath↗Grigori E. Astrakharchik↗Yanliang Guo↗Hanns-Christoph N\"agerl↗Manuele Landini↗

arXiv:2602.17656v2 Announce Type: replace-cross Abstract: Critical quantum field theories occupy a central position in modern theoretical physics for their inherent universality stemming from long-range correlations. As an example, the Tomonaga-Luttinger liquid (TLL) describes a wealth of one-dimensional quantum systems at low temperatures. Its behavior is deeply rooted in the emergence of an effective Fermi sea, leading to power-law correlations and Friedel oscillations. A promising direction to realize systems exhibiting novel universal behavior beyond TLL is through the generalization of the underlying Fermi sea. In this Letter, we show that fractional Fermi seas with reduced occupancy arise in an integrable Bose gas driven out of equilibrium by cyclic changes in interactions from repulsive to attractive. The correlation functions feature signatures of criticality incompatible with a conventional TLL, suggesting a novel critical phase. Our predictions, based on Generalized Hydrodynamics, are directly relevant to cold atoms.

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

Retrieval-Augmented Personalization with Foundation Models for Wearable Stress Detection

Authors:
Louis Simon↗Mohamed Chetouani↗

arXiv:2606.24985v1 Announce Type: cross Abstract: Personalization in wearable-based stress detection remains challenging due to substantial inter-individual variability in physiological and behavioral responses. While traditional approaches rely on user-specific fine-tuning or costly self-supervised pre-training on large datasets, we propose a lightweight alternative based on retrieval-augmented personalization. Our method leverages frozen, out-of-domain foundation models to retrieve similar patterns from a target user's history and encode them into a compact personalized embedding that modulates representations extracted by a lightweight transformer network. We evaluate our approach on the WESAD stress detection dataset with N=15 users, comprising wrist-worn physiological (EDA, BVP, temperature) and activity (accelerometer) signals, and report gains of +3.92\% in accuracy and +4.76\% in macro F1-score over a non-personalized transformer baseline, approaching supervised fine-tuning performance without requiring any labeled user data. We further show that temporal retrieval, where only prior user samples are available, achieves performance close to full intra-user retrieval, demonstrating robustness to limited user history. Finally, we explore personalization in a cross-dataset retrieval setting, leveraging embeddings from the K-Emocon dataset to personalize representations for stress detection on the WESAD dataset.

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

Depth-Attention: Cross-Layer Value Mixing for Language Models

Authors:
Boyi Zeng↗Yiqin Hao↗Zitong Wang↗Shixiang Song↗He Li↗Feichen Song↗Yifan Liu↗Ziwei He↗Xinbing Wang↗Zhouhan Lin↗

Self-attention selects information freely across the sequence, but across depth, Transformers merely add each layer's output to the residual stream, so later layers cannot selectively reuse earlier-layer representations. Recent cross-layer methods improve this flow but operate on hidden states outside attention, adding state beyond the key-value cache at inference–a cost that becomes increasingly salient as modern LLMs compress the cache with grouped-query and multi-head latent attention. We introduce Depth-Attention, which performs this selection inside the attention module itself: before a layer attends over the sequence, its query attends over the keys of earlier layers at the same token position and mixes their values into the value that self-attention then reads. Because Depth-Attention reuses the standard attention queries, keys, and value-cache slots, storing depth-mixed values in place of the original values, it adds no parameters and introduces no persistent inference state beyond the standard key-value cache–the same cache size as a vanilla decoder and less than hidden-state-based cross-layer methods. On Qwen3-style decoders at 1.5B and 3B parameters, Depth-Attention attains the lowest perplexity and the highest average downstream accuracy, improving over the vanilla Transformer by up to 2.3 accuracy points and surpassing strong cross-layer baselines in perplexity and average accuracy, while adding under 0.01% extra arithmetic FLOPs and no additional persistent inference state. The gains hold from 360M to 3B parameters and extend to looped Transformers.

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

FutureOmni: Evaluating Future Forecasting from Omni-Modal Context for Multimodal LLMs

Authors:
Qian Chen↗Jinlan Fu↗Changsong Li↗Min Zhang↗See-Kiong Ng↗Xipeng Qiu↗

Although Multimodal Large Language Models (MLLMs) demonstrate strong omni-modal perception, their ability to forecast future events from audio-visual cues remains largely unexplored, as existing benchmarks focus mainly on retrospective understanding. To bridge this gap, we introduce FutureOmni, the first benchmark designed to evaluate omni-modal future forecasting from audio-visual environments. The evaluated models are required to perform cross-modal causal and temporal reasoning, as well as effectively leverage internal knowledge to predict future events. FutureOmni is constructed via a scalable LLM-assisted, human-in-the-loop pipeline and contains 919 videos and 1,034 multiple-choice QA pairs across 8 primary domains. Evaluations on 13 omni-modal and 7 video-only models show that current systems struggle with audio-visual future prediction, particularly in speech-heavy scenarios, with the best accuracy of 64.8% achieved by Gemini 3 Flash. To mitigate this limitation, we curate a 7K-sample instruction-tuning dataset and propose an Omni-Modal Future Forecasting (OFF) training strategy. Evaluations on FutureOmni and popular audio-visual and video-only benchmarks demonstrate that OFF enhances future forecasting and generalization. We publicly release all code (https://github.com/OpenMOSS/FutureOmni) and datasets (https://huggingface.co/datasets/OpenMOSS-Team/FutureOmni).

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

A 3D-Printable Dataset for Fair Testing and Comparisons of Tactile Sensors

Authors:
Dexter R. Shepherd↗Nicolas Herzig↗Phil Husbands↗Andrew Philippides↗Chris Johnson↗William Kimbell↗

arXiv:2606.25886v1 Announce Type: cross Abstract: Existing texture datasets for tactile sensing primarily consist of sensor readings from a specific sensor interacting with available surfaces/objects rather than describing the textures themselves, limiting fair comparison between tactile sensors and hindering reproducible research. In this work, we introduce a 3D-printable dataset of mathematically defined textures designed to be fabricated reliably across different printers and filament types. The dataset consists of six parametrically generated surface patterns derived from combinations of sine-wave and Fourier-based functions, giving controlled variation in spatial frequency, amplitude, and directional structure. We evaluate the reproducibility of these textures across three popular 3D printers and multiple filament types by measuring variance in images captured using an optical TacTip sensor under controlled contact conditions. Our results show that print quality, particularly peak sharpness and stringing, affects tactile variance, with higher-end printers producing significantly more consistent signatures. Classification experiments using neural networks and PCA-based models further demonstrate that high-quality prints support strong within-printer generalisation, while cross-printer generalisation remains challenging due to geometric inconsistencies. This work establishes the first openly available, physically reproducible 3D-printed texture benchmark, providing a foundation for fair comparison of tactile sensors.

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10.
arXiv (CS.LG) 2026-06-24

Machine-Learning Emulation of Satellite Greenhouse Gas Retrievals: Stability over Time

Authors:
Nugzar Gognadze↗Motonobu Kanagawa↗Yu Someya↗Hisashi Yashiro↗

arXiv:2606.09313v2 Announce Type: replace Abstract: Retrieval algorithms are used to estimate atmospheric concentrations of greenhouse gases (GHGs), such as carbon dioxide (CO2) and methane (CH4), by solving inverse problems from high-spectral-resolution satellite radiance measurements. However, these algorithms are computationally expensive, which makes real-time estimation at scale difficult. Machine-learning models have therefore been proposed as fast emulators of retrieval algorithms. Most existing studies, however, evaluate them only on test data from the same period as the training data. We study the stability over time of such emulators using data from the Greenhouse Gases Observing SATellite (GOSAT). We show that prediction accuracy generally deteriorates when the test period moves away from the training period. We also show that including time as an input feature substantially improves XCH4 prediction for Lasso and neural-network models. Among the methods considered, a simple Lasso model performs as well as or better than more complex methods such as neural networks, and yields more stable predictions over time. We further validate the results using the Total Carbon Column Observing Network (TCCON), a ground-based observation network. On the TCCON-matched dataset, the time-augmented Lasso achieves errors against TCCON that are comparable to the disagreement between GOSAT and TCCON for both XCO2 and XCH4.

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

GraspLLM: Towards Zero-Shot Generalization on Text-Attributed Graphs with LLMs

Authors:
Hengyi Feng↗Zeang Sheng↗Meiyi Qiang↗Wentao Zhang↗

Research on Text-Attributed Graphs (TAGs) has gained significant attention recently due to its broad applications across various real-world data scenarios, such as citation networks, e-commerce platforms, social media, and web pages. Inspired by the remarkable semantic understanding ability of Large Language Models (LLMs), there have been numerous attempts to integrate LLMs into TAGs. However, existing methods still struggle to generalize across diverse graphs and tasks, and their ability to capture transferable graph structural patterns remains limited. To address this, we introduce the GraspLLM, a framework that combines Graph structural comprehension with semantic understanding prowess of LLMs to enhance the cross-dataset and cross-task generalizability. Specifically, we represent node texts from different graphs in a unified semantic space with a frozen general embedding model, on top of which we perform motif-aware contrastive learning across multiple motif-induced adjacency matrices to extract dataset-agnostic structural information. Then, with our proposed optimal contextual subgraph, we extract the most contextually relevant subgraph for each target node and align these subgraphs to the token space of LLM via an alignment projector. Extensive experiments on TAG benchmark datasets spanning diverse domains reveal that GraspLLM consistently outperforms previous LLM-based methods for TAGs, especially in zero-shot scenarios, highlighting its strong generalizability across different datasets and tasks. Our code is available at https://github.com/Heinz217/GraspLLM.

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

Interpreting Neural Combinatorial Optimization via Evolving Programmatic Bottlenecks

Authors:
Haocheng Duan↗Yuxin Guo↗Jieyi Bi↗Anqi Xie↗Sirui Li↗Yining Ma↗Cathy Wu↗

arXiv:2606.19741v1 Announce Type: new Abstract: Neural Combinatorial Optimization (NCO) achieves strong performance, yet its black-box nature remains a key roadblock to deployment and scientific diagnosis. Standard interpretability tools, such as Concept Bottleneck Models (CBMs), are ill-equipped for NCO, whose decisions are dynamic, state-dependent, and lack proper concept vocabulary definition. To close this gap, we introduce Evolving Programmatic Bottlenecks (EPB), to our knowledge, the first framework for interpreting NCO policies by distilling black-box NCO models into human-readable program portfolios. EPB employs an LLM to autonomously evolve a bank of programs, where each program's per-step action distribution serves as the bottleneck. EPB works through an iterative framework: Block I fixes program bank capacity and introduces a hybrid textual-numerical gradient descent scheme that couples numerical gradients for student router updates and textual gradients for LLM-based program revision; Block II dynamically adapts bank capacity via fault-targeted expansion and redundancy pruning. Extensive experiments demonstrate EPB's effectiveness and broad applicability, where the distilled program portfolios largely match original performance. EPB also reveals that NCO behavior shifts across optimization stages and can be approximated as a composition of classic heuristic variants. Our work advances interpretable NCO and establishes EPB as a promising tool for interpreting sequential decision-making models.

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13.
arXiv (CS.CV) 2026-06-19

Fast Human Attention Prediction for Fixation-guided Active Perception in Autonomous Navigation

Authors:
Fatma Youssef Mohammed↗Grzegorz Malczyk↗Kostas Alexis↗

Human visual attention relies on structured scanpaths to efficiently process scenes, yet instilling this behavior into robot autonomy is in its infancy and hindered by the high,computational costs of existing predictive models. To address this, we introduce GazeLNN, a computationally lightweight,scanpath prediction model that leverages Liquid Neural Networks as its recurrent engine and employs MobileNetV3 for feature extraction. Operating auto-regressively, the architecture predicts sequential fixation heatmaps conditioned on the current visual stimulus and fixation history. Despite requiring only 0.61 GFLOPs, GazeLNN achieves state-of-the-art performance on the MIT Low Resolution dataset achieving 0.47 ScanMatch score. It outperforms existing recurrent baselines across diverse evaluation metrics, while reducing computational costs by 99.40% and accelerating inference by up to six times. To investigate the role of human attention modeling in robot autonomy and demonstrate the practical utility of this highly efficient architecture, we integrate GazeLNN into an active camera-robot control policy trained via Reinforcement Learning. This integration enables human-fixation-guided perception during autonomous navigation, validated through successful real-world deployments on an aerial robot.

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14.
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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15.
arXiv (CS.AI) 2026-06-24

Exploring Dualistic Meta-Learning to Enhance Domain Generalization in Open Set Scenarios

Authors:
Xiran Wang↗Jian Zhang↗Lei Qi↗Yang Gao↗Yinghuan Shi↗

arXiv:2606.23758v1 Announce Type: cross Abstract: Domain generalization learns from multiple source domains to generalize to unseen target domains. However, it often neglects the realistic case of label mismatch between source and target. Open set domain generalization is then proposed to recognize unseen classes in unseen domains. A simple approach trains one-vs-all classifiers to separate each class and detect outliers as unknown. Yet, the imbalance between few positive samples and many negative samples skews the decision boundary towards the positive ones, leading the model to over-reject out-of-distribution data, even from known classes in unseen domains. In this paper, we propose a novel meta-learning stategy called dualistic MEta-learning with joint DomaIn-Class matching (MEDIC), which considers implicit gradient matching towards inter-domain and inter-class task splits simultaneously to find optimal boundaries balanced for both domains and classes. Experimental results show that MEDIC not only outperforms prior methods in open set scenarios, but also maintains competitive close set generalization ability.

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

Toward Training-Free Zero-Shot Anomaly Detection in 3D Medical Images: A Batch-Based Approach Using 2D Foundation Models

Authors:
Tai Le-Gia↗

Zero-shot anomaly detection (ZSAD) is attractive for medical imaging because clinical systems must handle heterogeneous acquisition protocols, changing patient populations, and pathologies for which annotated training data may be unavailable. Most existing zero-shot anomaly detection methods are designed for 2D images, and their direct extension to 3D medical volumes is limited by the scarcity of large-scale volumetric foundation models or by the difficulty of utilizing volumetric context. We propose CS3F, a training-free batch-based framework for ZSAD in 3D medical images using 2D foundation models. Each volume is decomposed along multiple anatomical axes and encoded slice-wise by a 2D vision transformer. These are then converted into localized volumetric tokens by pooling neighboring slice features. Anomaly scores are obtained from cross-subject mutual similarity: tokens that lack close analogues in other subjects are assigned higher anomaly scores. To reduce the attenuation of focal lesion signals caused by depth pooling, we introduce a coarse-to-fine tokenization strategy that enables fine-resolution volumetric scoring without exhaustive matching. CS3F is evaluated on brain MRI across metastases, glioma, and stroke, as well as validated on lung CT to test generalizability beyond atlas-aligned brain MRI. The results show that frozen 2D foundation models can support anomaly localization in 3D medical images, and that the benefit of fine tokenization depends strongly on lesion contrast and imaging modality.

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17.
arXiv (quant-ph) 2026-06-25

Halo-Independent Quantum Sensor Probes of Low-Velocity Dark Matter

Authors:
Muping Chen↗Graciela B. Gelmini↗Volodymyr Takhistov↗Koichiro Yasuda↗

arXiv:2606.25129v1 Announce Type: cross Abstract: We present a halo-independent framework for sub-GeV dark matter (DM) direct detection using quantum sensors with sub-eV energy thresholds. Such detectors enable access to low DM velocities and may be sensitive to departures from the Standard Halo Model that are challenging to probe with conventional direct DM detection experiments. The method expresses the DM scattering event rate in terms of a detector and particle model-dependent response function, and a universal halo function common to all experiments to be determined from data. This allows the local DM velocity distribution to be constrained. As representative implementations, we consider TES (Al) and MKID (TiN)-like sensors and show that their differing material responses probe complementary regimes of the DM velocity distribution. Applying the framework to mock data derived from several benchmark local halo models, we demonstrate how the assumed halo function could be reconstructed. This framework demonstrates the potential of quantum sensors as a new avenue for mapping the local DM velocity distribution.

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

Stepwise Token Selection for Efficient Multimodal Large Language Models

Authors:
Landi He↗Shawn Young↗Lijian Xu↗

In multimodal large language models (MLLMs), inference cost is largely dominated by the visual token prefix rather than the language backbone, making token reduction a key factor for improving efficiency. Existing approaches typically assign independent importance scores to visual tokens and retain a fixed number of top-ranked tokens, implicitly assuming token independence and a uniform compression ratio across inputs. In this work, we reformulate visual token pruning as a sequential decision-making process. Specifically, we introduce a pointer-style selection mechanism that iteratively chooses informative tokens, conditioning each decision on previously selected ones, and dynamically determines when to stop via a learned termination action. This enables joint optimization of both the selected subset and its size. To enable end-to-end training under standard language modeling objectives, we design a differentiable relaxation based on a variance-preserving noise interpolation scheme, allowing gradients to propagate through the discrete selection process. Extensive experiments on LLaVA-v1.5-7B and Qwen2.5-VL-7B demonstrate that our approach consistently outperforms fixed-ratio baselines across different compression levels. Under aggressive pruning that removes 88.9% of visual tokens, our method preserves 94.6% of the original accuracy while achieving a 1.88x speed-up in prefill latency.

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19.
bioRxiv (Bioinfo) 2026-06-10

APOSM: Pairwise preference learning improves generative small-molecule design

Authors:
Dreisler↗M. W↗Michael↗Hatzakis↗N. S↗Boomsma↗

Small-molecule lead refinement is constrained by the cost of synthesizing and assaying candidates, making the surrogate models that prioritize compounds for experimental testing central to the design process. The reliability of such surrogates is limited by the noise and sparsity of screening measurements. We show that training the surrogate on pairwise comparisons between candidate molecules, rather than on absolute predicted scores, yields a substantially more reliable signal for active candidate selection in this regime. We develop APOSM, an active-learning algorithm that combines a fragment-based generator, a pairwise message-passing graph neural network surrogate, and probabilistic ranking inside a batched acquisition loop. On the Practical Molecular Optimization benchmark and a GPCR ligand rediscovery task, APOSM improves target attainment and sampling efficiency over unguided fragment-based optimization, the Graph-GA genetic algorithm, and a pointwise-regression ablation, with the largest gains on tasks where absolute scores are hardest to calibrate.

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20.
arXiv (CS.AI) 2026-06-17

Treatment Response Optimized Clinical Decision Support AI System via Digital Twin Simulation

Authors:
Xinyu Qin↗Anil K. Sood↗Ruiheng Yu↗Sara Corvigno↗Elaine Stur↗Lu Wang↗

arXiv:2606.17405v1 Announce Type: new Abstract: Clinical decision support AI systems (CDSASs) must adapt to evolving patient conditions in real-time while adhering to strict safety constraints. We present an online adaptive framework that integrates Treatment Effect (TE) estimation to quantify clinical benefits, a patient Digital Twin (DT) to simulate treatment trajectories, and Reinforcement Learning (RL) for sequential decision-making. The AI system is initially trained on historical medical records and operates in a continuous learning loop. To ensure safety, a rule-based module monitors vital signs and blocks contraindicated treatments. Cases with strong internal model disagreement are flagged for clinician review, simulated in our experiments via a pre-trained outcome model. We validate our framework using both a synthetic clinical simulator and a real-world ovarian cancer dataset from The Cancer Genome Atlas (TCGA). In both simulated and clinical settings, our method demonstrated superior effectiveness and stability in recommending treatments compared to standard computational baselines. Furthermore, the AI system maintains low latency and requires expert consultation for only a minority of cases in our experimental validation, demonstrating its potential as a safe, clinician-supervised tool for personalized medicine that continuously improves through practical use.

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21.
arXiv (quant-ph) 2026-06-12

Accidental Symmetry in the Tavis-Cummings Model via the Schwinger Boson Representation

Authors:
Plato Deliyannis↗Iman Marvian↗

arXiv:2606.12813v1 Announce Type: new Abstract: The Jaynes-Cummings (JC) Hamiltonian is a paradigmatic model of light-matter interaction and, more generally, qubit-boson interactions, widely used across atomic, optical, and superconducting qubit platforms. In the multi-qubit setting, where n qubits are identically coupled to a single boson mode, this interaction is known as the Tavis-Cummings (TC) Hamiltonian. The structure of the TC model is usually understood in terms of two standard symmetries: permutation invariance of the qubits and a U(1) symmetry associated with conservation of the total excitation number. Here we identify an additional, independent "accidental" symmetry of the TC Hamiltonian and construct the corresponding conserved observable. We show that, for n>2 qubits, this symmetry imposes strong constraints on the realizable unitary transformations. These constraints persist in the presence of the global $J_z$ Hamiltonian, but are removed by adding $J_z^2$, even though $J_z^2$ preserves both permutation invariance and the U(1) symmetry. Finally, we explain the origin of this previously unnoticed symmetry using Schwinger's boson representation of angular momentum. These restrictions have important implications for controllability of the TC system and for its applications to quantum computing, which are investigated further in a companion paper.

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22.
arXiv (CS.LG) 2026-06-12

Smarter Saboteurs, Better Fixers: Scaling & Security in Linear Multi-Agent Workflows

Authors:
Timothy McAllister↗Sina Abdidizaji↗Ivan Garibay↗Ozlem Ozmen Garibay↗

arXiv:2606.12709v1 Announce Type: cross Abstract: As LLM-based multi-agent systems (MAS) are deployed in the wild, the resilience of their collaboration structures against adversarial compromise becomes a critical safety concern. Attackers may leverage prompt-injection or jailbreaking to sabotage individual agents within MAS workflows, but the interaction between model scaling and system-level resilience remains poorly understood. This paper investigates how model scale affects the security of linear multi-agent workflows. Our experiments across scales of two open-weight model families on the HumanEval benchmark reveal a compliance-correction symmetry: larger models are far more likely to faithfully execute malicious instructions, with the control-to-malicious performance drop reaching 53.7pp at 27B in uncorrected pipelines. However, appending a lightweight terminal Fixer stage collapses this to 0.6pp and restores statistical parity with control-level performance, demonstrating that strictly linear collaboration structures can be viable and resilient to adversaries at this scale, and suggesting that the brittleness previously attributed to linear topology may stem from a lack of correction.

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23.
arXiv (math.PR) 2026-06-16

Layerwise Terminal Discrepancy in Chen's Reverse-Heat Coupling on the Boolean Cube

Authors:
Yanjin Xiang↗Zhihua Zhang↗

arXiv:2606.04573v2 Announce Type: replace-cross Abstract: Recently, Chen [Chen2026] proved that Talagrand's Boolean convolution conjecture holds up to the dimension-free factor \((\log\log\eta)^{3/2}\), namely for every fixed \(\tau>0\), \[ \mu\{P_\tau f>\eta\|f\|_1\} \le C_\tau \frac{(\log\log\eta)^{3/2}}{\eta\sqrt{\log\eta}}, \qquad \eta>e^3. \] We revisit the terminal testing-discrepancy step in Chen's perturbed reverse-heat coupling. Chen estimates this discrepancy globally in terms of the remaining gap to the terminal level. We keep the same coupling and the same reverse-heat formulations, but localize the terminal discrepancy on each remaining-gap layer before summing the layers. This changes the fixed-time anti-concentration cost from order \((\log L)^{3/2}/\sqrt L\) to order \((\log L)/\sqrt L\), where \(L=\log\eta\). Consequently, we obtain a \((\log\log\eta)^{1/2}\) improvement as \[ \mu\{P_\tau f>\eta\|f\|_1\} \le C_\tau \frac{\log\log\eta}{\eta\sqrt{\log\eta}}, \qquad \eta>e^3. \]

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24.
medRxiv (Medicine) 2026-06-11

Ferritin across long-term conditions in England: cross-sectional primary care study

Authors:
KATUMBA↗A. M↗Drakesmith↗C. W↗Haynes↗Maynard↗Maharajan↗Erone↗Smith↗Shah↗Roy↗Bankhead↗…

Background Iron deficiency (ID) is a readily treatable condition once identified. Ferritin is the primary diagnostic marker, but cut-offs vary and inflammation complicates interpretation in patients with long-term conditions (LTCs). Aim To describe ferritin distribution and the prevalence of threshold-defined low ferritin in adults with and without LTCs in primary care. Design and setting Cross-sectional observational study using routinely collected electronic health records from a national primary care database in England (1st January 2015 to 31st December 2021). Method Adults with >1 ferritin test in Clinical Practice Research Datalink (CPRD) Aurum were included. LTCs were identified using validated primary-care code lists. Outcomes included ferritin distribution and threshold-defined ID prevalence using World Health Organization (WHO) (

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

MassSpecGym in the Wild: Uncovering and Correcting Evaluation Pitfalls in AI-Driven Molecule Discovery

Authors:
Hongxuan Liu↗Roman Bushuiev↗Ivy Lightheart↗Mrunali Manjrekar↗Anton Bushuiev↗Magdalena Lederbauer↗Filip Jozefov↗Yinkai Wang↗Soha Hassoun↗Josef Sivic↗James Taylor↗Runzhong Wang↗…

arXiv:2606.19624v1 Announce Type: new Abstract: Reliable benchmarking is critical for developing machine learning models for tandem mass spectrometry (MS/MS) based molecule discovery. Subtle issues in experimental design and model evaluation procedures can degrade the trustworthiness of such benchmarks and lead to erroneous conclusions. We conduct a thorough review of model evaluation issues in the recent MS/MS machine learning literature, using the standard MassSpecGym benchmark suite as a case study to illustrate the impact of these issues. We find evaluation issues in at least 17 of 26 papers reporting MassSpecGym benchmark results in the first year of its adoption. We isolate three classes of failures: (i) data leakage, (ii) shortcut learning, and (iii) implementation bugs and metric divergence. Through extensive experimentation and code replication, we quantify the impact of these issues and show how they corrupt the evaluation standards MassSpecGym was designed to enforce. We distill our findings into recommendations generalizable to MS/MS challenges, benchmarks, and custom evaluation setups. We also release MassSpecGym v1.5, an implementation of our recommendations in the MassSpecGym benchmarking suite which addresses the failure modes identified in this audit. MassSpecGym v1.5 is publicly available at https://github.com/pluskal-lab/MassSpecGym.

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