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01.
arXiv (quant-ph) 2026-06-15

Certification of the genuine resolution of photon number resolving detectors

Authors:
Jef Pauwels↗Towsif Taher↗Roope Uola↗Boris Korzh↗Nicolas Brunner↗Pavel Sekatski↗

arXiv:2606.14365v1 Announce Type: new Abstract: Photon-number-resolving (PNR) detectors are essential components of photonic quantum technologies, yet thus far, no practical metric exists to certify how many photons they can genuinely resolve in a single measurement. Here we introduce an operational framework for quantifying the capability of a PNR detector to distinguish between different numbers of photons, i.e. its genuine resolution. In turn, we develop a practical and scalable protocol for certifying the genuine resolution of a detector, which is based on coherent state probes. We apply the method to a 28-pixel photon-number-resolving superconducting nanowire single-photon detector (PNR-SNSPD) and certify genuine four-outcome resolution. Our work highlights the critical requirements in terms of detector efficiency towards achieving high genuine resolution. This approach provides an operational benchmark for PNR detectors and fills a crucial gap in the characterization of photonic quantum devices.

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02.
bioRxiv (Bioinfo) 2026-06-10

Promera: a unified model for biomolecular structure prediction, filtering, and design

Authors:
Jing↗Bafna↗Diaz↗D. J↗Klivans↗A. R↗Berger↗

Generative models have become staple tools for modeling and designing biomolecular structures. However, although these tools have improved in structural prediction accuracy, their ability to filter designed binders—an essential use case—remains insufficient; whereas design methods have focused more on unconstrained binder generation rather than capabilities enabled by controllable design. We introduce Promera, a unified generative model that combines all-atom structure prediction with improved filtering and controllable design. We find that Promera's confidence metrics are more accurate for filtering binders from non-binders for both miniproteins and nanobodies, while its co-folding performance surpasses popular open-source models (OpenFold3-p2, Boltz-2) on therapeutically relevant categories. As a design model, Promera generates binders by predicting masked protein sequences with optional epitope, paratope, and template constraints. Remarkably, our nanobody designs match the in silico success rates from backprop-based techniques (mBER) when evaluated under co-folding confidence filters. We further provide two in silico demonstrations of the the versatile capabilities of our design method: epitope targeting of the Andes hantavirus glycoprotein with VHHs and active state stabilization of the beta-2 andrenergic GPCR. We conclude by proposing a scaling law for co-folding models, suggesting a path for further performance improvement.

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03.
Nature (Science) 2026-06-24

Fourier pixels for bidirectional light control

Authors:
Yannik M. Glauser↗

Digital cameras1 and displays2 use picture elements (pixels3) that perform a single function: detecting or emitting light intensity. To exploit the full information content of electromagnetic waves, more advanced elements are required. This has driven the development of multifunctional components that, for example, simultaneously detect and emit intensity4,5 or extract intensity and spectral information6–8. However, no pixel exists that both senses and generates optical wavefronts with full control over amplitude, phase and polarization, limiting bidirectional control and feedback of sophisticated light fields. Here we present a route to such pixels by demonstrating a versatile platform of miniaturized diffractive elements based on Fourier optics9. We use plasmonic surface waves10, which propagate coherently11 and efficiently12–15 across metallic surfaces. When these plasmons are launched towards wavy microstructures16 designed with simple Fourier analysis, arbitrary and background-free optical wavefronts are generated. Conversely, incoming light can be sensed, and its amplitude, phase and polarization can be fully characterized. By combining or superposing several such components, we create multifunctional ‘Fourier pixels’ that provide compact and accurate control over the optical field. Our approach, which we extend to photonic waveguide modes, establishes a scalable, universal architecture for vectorially programmable pixels with applications in adaptive optics17,18, holographic displays19–21, optical communication22,23 and quantum information processing24. A versatile platform of miniaturized Fourier-optics-based diffractive elements enables multifunctional pixels that fully control and sense the amplitude, phase and polarization of optical wavefronts for advanced photonic applications.

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

G-IdiomAlign: A Gloss-Pivoted Benchmark for Cross-Lingual Idiom Alignment

Authors:
Fengying Ye↗Yanming Sun↗Runzhe Zhan↗Zheqi Zhang↗Lidia S. Chao↗Derek F. Wong↗

Idioms are difficult to transfer across languages due to their non-compositionality and weak surface-form grounding, making literal mappings unreliable. We present G-IdiomAlign, a gloss-pivoted benchmark where each idiom is anchored by an English gloss from Wiktionary. We further construct a high-confidence reference alignment set for reproducible evaluation. G-IdiomAlign supports two protocols: (1) a controlled Multiple-Choice Idiom Equivalence with typed distractors for error attribution; and (2) a Gloss-Contrastive Generation contrasting No-gloss and With-gloss inputs to isolate the effect of an explicit semantic pivot. Across diverse LLMs, a bias to literal translation is a dominant failure mode, especially when the target is a low-resource language. Glosses consistently improve Gloss-Contrastive Generation under an embedding-based semantic proxy, but performance remains modest, indicating substantial headroom in the open output space. Subsequent analysis on Qwen3-8B further suggests that cross-condition differences are concentrated more in attention heads than in layers, while better With-gloss generations coincide with stronger gloss anchoring.

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

A Systematic Evaluation of Black-Box Uncertainty Estimation Methods for Large Language Models

Authors:
Jiayi Wang↗Xu-Yao Zhang↗

arXiv:2606.19868v1 Announce Type: new Abstract: Although large language models (LLMs) have shown strong capabilities across a wide range of tasks, their outputs often remain unreliable and may contain hallucinations, making uncertainty estimation (UE) essential for building trustworthy LLMs. In practice, many mainstream LLMs are only accessible through restricted APIs, where internal signals such as logits and hidden states are unavailable, making black-box UE especially important. However, existing work on black-box UE for LLMs remains fragmented in methodology and lacks a unified empirical comparison. To address this gap, we present a systematic review of black-box UE methods and organize them into five categories: verbalization-based, sampling-based, explanation-based, multi-agent, and hybrid methods. We further build a unified evaluation framework and benchmark 24 representative methods across 4 models and 4 dataset settings. Our results show that no single method consistently dominates across all settings. Nevertheless, methods that reason over and compare candidates in the answer space are generally effective, and hybrid methods that combine multiple uncertainty signals perform well under most conditions. By releasing the benchmark data and a unified evaluation framework, we aim to facilitate reproducible comparisons and support future research, while our empirical findings provide practical guidance for developing future black-box UE methods for LLMs.

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

Augmentation techniques for video surveillance in the visible and thermal spectral range

Authors:
Vanessa Buhrmester↗Ann-Kristin Grosselfinger↗David Munch↗Michael Arens↗

In intelligent video surveillance, cameras record image sequences during day and night. Commonly, this demands different sensors. To achieve a better performance it is not unusual to combine them. We focus on the case that a long-wave infrared camera records continuously and in addition to this, another camera records in the visible spectral range during daytime and an intelligent algorithm supervises the picked up imagery. More accurate, our task is multispectral CNN-based object detection. At first glance, images originating from the visible spectral range differ between thermal infrared ones in the presence of color and distinct texture information on the one hand and in not containing information about thermal radiation that emits from objects on the other hand. Although color can provide valuable information for classification tasks, effects such as varying illumination and specialties of different sensors still represent significant problems. Anyway, obtaining sufficient and practical thermal infrared datasets for training a deep neural network poses still a challenge. That is the reason why training with the help of data from the visible spectral range could be advantageous, particularly if the data, which has to be evaluated contains both visible and infrared data. However, there is no clear evidence of how strongly variations in thermal radiation, shape, or color information influence classification accuracy. To gain deeper insight into how Convolutional Neural Networks make decisions and what they learn from different sensor input data, we investigate the suitability and robustness of different augmentation techniques...

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07.
arXiv (CS.AI) 2026-06-15

Learning Coordinated Preference for Multi-Objective Multi-Agent Reinforcement Learning

Authors:
Pengxin Wang↗Lihao Guo↗Yi Xie↗Bo Liu↗Siyang Cao↗Jingdi Chen↗

arXiv:2606.14693v1 Announce Type: cross Abstract: Cooperative multi-objective multi-agent reinforcement learning (MOMARL) models team decision making under multiple, potentially conflicting objectives. In this setting, conflicts arise not only across objectives but also across agents with different observations, roles, and contributions. We propose Preference Coordinated Multi-agent Policy Optimization (PCMA), which learns coordinated agent-specific preferences to enable complementary trade-offs among agents. Theoretically, we formulate cooperative MOMARL as a team-optimal game and show that, under suitable conditions, preference diversity can induce team improvement through a first-order improvement decomposition. Experiments on multiple cooperative MOMA environments and a practical traffic-control scenario show that PCMA improves both performance and trade-off coordination.

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

OSCS-SupCon: Orthogonal Sigmoid-based Common and Style Supervised Contrastive Learning for Robust Feature Disentanglement

Authors:
Bin Wang↗Fadi Dornaika↗

Supervised Contrastive Learning (SupCon) has achieved strong performance by explicitly modeling pairwise relationships among samples. However, existing SupCon-based methods suffer from two key limitations: negative-sample dilution induced by the standard InfoNCE loss, and feature-space entanglement caused by the lack of explicit constraints separating category-relevant (common) and category-irrelevant (style) features. These limitations reduce feature discriminability and generalization ability. To address these issues, we propose OSCS-SupCon (Orthogonal Sigmoid-based Common and Style Supervised Contrastive Learning), a unified framework that combines a sigmoid-based pairwise contrastive objective with explicit orthogonality constraints. Specifically, we introduce a sigmoid-based contrastive loss with two learnable parameters, temperature and bias, which adaptively modulate pairwise decision boundaries and alleviate negative-sample dilution. Furthermore, we enforce orthogonality between common and style feature subspaces via a linear projection with ReLU nonlinearity, thereby reducing feature overlap and improving disentanglement of style-irrelevant representations. Extensive experiments on six benchmark datasets demonstrate that OSCS-SupCon consistently outperforms state-of-the-art supervised contrastive learning methods across multiple backbone architectures. In particular, on the fine-grained CUB200-2011 dataset with a ResNet-18 backbone, the proposed method achieves a 3.4% improvement in classification accuracy over CS-SupCon, highlighting its robustness and generalization capability. Ablation studies further confirm the effectiveness of each component.

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09.
arXiv (CS.LG) 2026-06-17

Noise-Driven Escape from Metastable Phases explains Grokking in Deep Neural Networks

Authors:
Ibrahim Talha Ersoy↗Karoline Wiesner↗

arXiv:2606.17120v1 Announce Type: new Abstract: Deep neural networks (DNNs) exhibit first order phase transitions under variations of the L2 regularization strength, with each transition marking the onset of a new learnable feature. Below a critical regularization strength, all features are in principle learnable, but coexisting metastable states, separated by energy barriers, can trap the network and impede convergence. A strength of DNNs is their ability to generalize. But many open questions remain, among them the origin of so called grokking: the abrupt, delayed onset of generalization after prolonged apparent overfitting. We show for linear DNNs that grokking is consistent with hysteresis in first-order L2 phase transitions: using L2 regularization to engineer deliberate trapping, we demonstrate that a model in a low-accuracy metastable state escapes only when SGD noise drives it across an energy barrier, with escape times following Arrhenius scaling. We reproduce grokking-like delayed convergence across two orders of magnitude in escape time by deliberately trapping models in metastable phases. Using sparse sub-sampling we also reproduce the canonical grokking curve where test error eventually approaches the final training error. Our work suggests that the number of metastable states equals the number of learnable features – one per singular value of the data covariance – the potential for hysteresis grows naturally with task complexity. We provide evidence that the same mechanism likely operates in general nonlinear DNNs. Our results provide routes toward more efficient learning schemes.

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10.
arXiv (CS.LG) 2026-06-18

Multi-Agent Systems are Mixtures of Experts: Who Becomes an Influencer?

Authors:
Franka Bause↗Jonas Niederle↗Martin Pawelczyk↗Rebekka Burkholz↗

arXiv:2605.25929v2 Announce Type: replace-cross Abstract: The effectiveness of multi-agent LLM deliberation depends not only on the agents' individual predictions, but also on how they communicate and collaborate. We study this mechanism through the lens of Friedkin-Johnsen (FJ) opinion dynamics, a tractable model for analyzing stubbornness, influence, and opinion change in multi-agent systems that captures empirically observed deliberation patterns. We show that the FJ parameters are input-dependent, turning multi-agent deliberation into a mixture of experts. This perspective implies that multi-agent systems can outperform single agents and static ensembles when routing reflects agent competence. Since competence is latent in practice, we analyze how influence is established through observable proxies: agents' self-assessed confidence, their perceived confidence, and initial alignment with other agents' views.

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11.
arXiv (math.PR) 2026-06-16

On the empirical spectral distribution of matrix perpetuities

Authors:
Bartosz Ko{\l}odziejek↗Kamil Szpojankowski↗

arXiv:2605.31054v2 Announce Type: replace Abstract: We study matrix perpetuities, that is, solutions to affine fixed-point equations of the form \[ \mathbf{X} \stackrel{d}{=} \mathbf{A}\,\mathbf{X} \,\mathbf{A}^\top+\mathbf{B},\qquad (\mathbf{A},\mathbf{B})\mbox{ and }\mathbf{X} \mbox{ are independent}, \] with particular emphasis on the empirical spectral distribution of the solution. We first establish existence and uniqueness results by relating the problem to classical vector perpetuities, and then develop tools that preserve the matrix structure under orthogonal invariance. For positive semidefinite, orthogonally invariant models, we obtain power-law tail asymptotics for the expected empirical spectral distribution and show that the tail is governed by the largest eigenvalue. We also prove that, in the subcritical regime, the expected empirical spectral distribution of matrix perpetuities converges weakly, as the dimension tends to infinity, to the distribution of the corresponding free perpetuity. Our results are illustrated by matrix Beta prime perpetuities, for which explicit limiting spectral distributions are available.

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

Conditional Local Importance by Quantile Expectations

Authors:
Kelvyn K. Bladen↗Adele Cutler↗D. Richard Cutler↗Kevin R. Moon↗

arXiv:2411.08821v4 Announce Type: replace-cross Abstract: Global variable importance measures are commonly used to interpret the results of machine learning models. Local variable importance techniques assess how variables contribute to individual observations. Current, popular methods, including LIME and SHAP, provide useful measures of feature contribution in the prediction space, while leaving opportunities for improved characterization of local structure in the model loss space. Additionally, they are not natively adapted for multi-class classification problems. We propose a new model-agnostic method for calculating local variable importance, CLIQUE, that highlights locally dependent relationships, provides improved stability over permutation-based methods, and can be directly applied to multi-class classification problems. Simulated and real-world examples show that CLIQUE emphasizes locally dependent information, captures interaction behavior beyond what can be evaluated by correlations, and assigns zero importance in regions where the response is invariant to changes in variables.

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13.
arXiv (CS.AI) 2026-06-16

Revisiting Chebyshev Polynomial and Anisotropic RBF Models for Tabular Regression

Authors:
Luciano Gerber↗Huw Lloyd↗

arXiv:2602.22422v2 Announce Type: replace-cross Abstract: Smooth-basis models such as Chebyshev polynomial regressors and radial basis function (RBF) networks are well established in numerical analysis. Their continuously differentiable prediction surfaces suit surrogate optimisation, sensitivity analysis, and other settings where the response varies gradually with inputs. Despite these properties, smooth models seldom appear in tabular regression, where tree ensembles dominate. We ask whether they can compete, benchmarking models across 55 regression datasets organised by application domain. We develop an anisotropic RBF network with data-driven centre placement and gradient-based width optimisation, a ridge-regularised Chebyshev polynomial regressor, and a smooth-tree hybrid (Chebyshev model tree); all three are released as scikit-learn-compatible packages. We benchmark these against tree ensembles, a pre-trained transformer, and standard baselines, evaluating accuracy alongside generalisation behaviour. The transformer ranks first on accuracy across a majority of datasets, but its GPU dependence, inference latency, and dataset-size limits constrain deployment in the CPU-based settings common across applied science and industry. Among CPU-viable models, smooth models and tree ensembles are statistically tied on accuracy, but the former tend to exhibit tighter generalisation gaps. We recommend routinely including smooth-basis models in the candidate pool, particularly when downstream use benefits from tighter generalisation and gradually varying predictions.

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15.
arXiv (CS.LG) 2026-06-25

MINIF2F-DAFNY: LLM-Guided Mathematical Theorem Proving via Auto-Active Verification

Authors:
Mantas Baksys↗Stefan Zetzsche↗Olivier Bouissou↗Sean B. Holden↗

arXiv:2512.10187v3 Announce Type: replace Abstract: LLMs excel at reasoning, but validating their steps remains challenging. Formal verification offers a solution through mechanically checkable proofs. Interactive theorem provers (ITPs) dominate mathematical reasoning but require detailed low-level proof steps, while auto-active verifiers offer automation but focus on software verification. Recent work has begun bridging this divide by evaluating LLMs for software verification in ITPs, but the complementary direction, LLMs for mathematical theorem proving in auto-active verifiers, remains unexplored. We present MINIF2F-DAFNY, the first translation of the widely-used mathematical benchmark miniF2F to an auto-active verifier: Dafny. We find that Dafny's automation alone solves 39-44% of problems with empty proofs, whereas many require substantial proof guidance in ITPs. We evaluate 8 off-the-shelf LLMs on proof generation, with the best model (Claude Opus 4.6) achieving 62.7% cumulative pass@4 on the full test set, improving over the 38.9% empty-proof baseline by 23.8 percentage points. These results show that auto-active verification offers a complementary empirical setting for AI-assisted mathematical reasoning, where LLMs provide high-level guidance while SMT automation handles low-level details. Our benchmark and evaluation infrastructure are publicly available on https://github.com/dafny-lang/miniF2F.

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16.
arXiv (quant-ph) 2026-06-24

Conditional channel entropy sets fundamental limits on thermodynamic quantum information processing

Authors:
Himanshu Badhani↗Siddhartha Das↗

arXiv:2604.01217v2 Announce Type: replace Abstract: The thermodynamic resourcefulness of quantum channels primarily depends on their underlying causal structure and their ability to generate quantum correlations. We quantify this interplay within the resource theory of athermality for bipartite quantum channels in the presence of a side channel acting as memory, referred to as the resource theory of conditional athermality. For channels with trivial output Hamiltonians, we characterize the optimal one-shot rates for distilling the identity gate from a given channel, as well as the cost of simulating the channel using the identity gate, under conditional Gibbs-preserving superchannels. We show that these rates have a direct trade-off relation with the conditional channel entropies, attributing operational significance to signaling in quantum processes. Furthermore, we establish an asymptotic equipartition property for the conditional channel min-entropy for classes of channels that are either tele-covariant or no-signaling from the non-conditioning input to the conditioning output. As a consequence, we demonstrate asymptotic reversibility of the resource theory for these channels. The asymptotic conditional athermality capacity of a tele-covariant channel is half the superdense coding capacity of its Choi state. Our work establishes the conditional channel entropy as a primitive information-theoretic concept for quantum processes, elucidating its potential for wider applications in quantum information science.

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17.
arXiv (CS.LG) 2026-06-19

AgentArmor: A Framework, Evaluation, \& Mitigation of Coding Agent Failures

Authors:
Kenneth Ge↗Andre Assis↗

arXiv:2606.19380v1 Announce Type: cross Abstract: Software engineering and deployment are increasingly being delegated to AI coding agents. The scale of their adoption is surfacing rare, but highly destructive, failure modes. In this paper, we study these failure modes as stemming from three distinct mechanisms: underspecification, where default model behavior is unsafe; capability errors, where the safe action is available but the model does not adhere to it due to bias or capability limitations; and agent harness errors, where the model fails to execute the safe action through the harness. We evaluate these across 8 different evaluations, each inspired by real-life deployment failures, totaling 20 coding environments and 59 synthetic transcript templates. Based on this evaluation, we propose AgentArmor, an agent harness modification, to mitigate these errors. By adding an extended system prompt, a separate command classifier, a ``3 strikes'' policy, deterministic guardrails, and tools for the agent to edit its own context, we show that AgentArmor is safer across a statistically significant number of samples. Thus, we suggest concrete mitigations for current coding agents and a design philosophy for future agent harness features.

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

Semantic Flip: Synthetic OOD Generation for Robust Refusal in Embodied Question Answering and Spatial Localization

Authors:
Dongbin Na↗Chanwoo Kim↗Giyun Choi↗Dooyoung Hong↗

Detecting unanswerable user queries remains essential for the reliable deployment of real-world embodied agents. However, modern vision-language models (VLMs) often generate overly confident answers even when the available visual memory cannot support the query. Such overconfidence poses various task-dependent risks. The agent may provide misleading information to the user in Embodied Question Answering and select an arbitrary coordinate and physically guide the user there in spatial reasoning for navigation. Despite these high stakes, only a few prior studies directly address when and how an embodied VLM should respond with "I do not know." This work proposes Semantic Flip, a simple yet effective framework that synthesizes auxiliary out-of-distribution (OOD) samples for embodied refusal without requiring external OOD annotations. The key idea is to independently transform the query and video memory to construct auxiliary OOD pairs that lack sufficient visual grounding. These synthesized pairs enable training a lightweight rejection module on top of a frozen pretrained VLM. The module attaches to any existing VLM-based pipeline without retraining the underlying model. Across two complementary benchmarks, Semantic Flip consistently outperforms strong prompting baselines. This work also introduces SpaceReject, a new refusal benchmark for spatial localization with deliberately unanswerable queries over long video memory, where Semantic Flip achieves an $F_1$ score of 0.9559. The source codes and datasets are publicly available at https://github.com/ndb796/SemanticFlip.

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19.
arXiv (CS.AI) 2026-06-17

WEQA: Wearable hEalth Question Answering with Query-Adaptive Agentic Reasoning

Authors:
Yuwei Zhang↗Tong Xia↗Bianca Emmerich↗Yu Yvonne Wu↗Dimitris Spathis↗Xin Liu↗Daniel McDuff↗Cecilia Mascolo↗

arXiv:2606.18147v1 Announce Type: new Abstract: Language models are remarkably capable at medical question answering, in some cases surpassing the accuracy of general physicians. However, answering questions about wearable health data remains challenging and understudied, as these ubiquitous sensors produce continuous, high-dimensional, and longitudinal data, which is non-trivial to align with text-centric distributions in LLM pretraining. The diversity of sensor modalities and user intents cannot be effectively handled by a fixed reasoning workflow or a single pretrained foundation model. To address these challenges, we propose WEQA, a query-adaptive agent framework that unifies LLM reasoning with specialized wearable analytical and modeling tools. An LLM controller is employed to synthesize execution plans and dynamically route each query to the appropriate combination of sensor analysis and pretrained models, and perform grounded response auditing with external knowledge. We also curate a benchmark spanning four open wearable datasets comprising analytic and predictive tasks in three different health domains. Experiments show that our framework is 24% more accurate than LLM and agentic baselines, and a blinded study with 12 medical experts and 8 users shows substantial gains in usefulness and clinical soundness.

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20.
arXiv (CS.LG) 2026-06-15

Stability of a Generalized Debiased Lasso with Applications to Resampling-Based Variable Selection

Authors:
Jingbo Liu↗

arXiv:2405.03063v3 Announce Type: replace-cross Abstract: We propose a generalized debiased Lasso estimator based on a stability principle. When a single column of the design matrix is perturbed, the estimator admits a simple update formula that can be computed from the original solution. Under sub-Gaussian designs with well-conditioned covariance, this approximation is asymptotically accurate for all but a vanishing fraction of coordinates in the proportional growth regime. The proof relies on concentration and anti-concentration arguments to control error terms and sign changes. In contrast, establishing comparable distributional limits (e.g., Gaussianity) under similar assumptions remains open. As an application, we show that the approximation significantly reduces the computational cost of resampling-based variable selection procedures, including the conditional randomization test and a local knockoff filter.

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21.
bioRxiv (Bioinfo) 2026-06-11

Combinatorial docking and molecular generation to navigate over 100-billion molecules for prospective ligand discovery

Authors:
Zhang↗Yang↗Chen↗Lam↗Bryant↗Pidathala↗Wang↗Moroz↗Radchenko↗Alon↗Lee↗C.-H↗…

Commercially available make-on-demand libraries now exceed 100 billion compounds, requiring over 50 years to screen on 2,000 CPU cores using conventional docking. We present two complementary approaches to address this challenge. CombiDOCK, a combinatorial docking framework, enables exhaustive screening at the 100-billion scale within 40 days. MINT-Dock, a generative framework, accelerates navigation of this space by integrating CombiDOCK with Monte Carlo Tree Search. Benchmarked on 46 diverse targets, CombiDOCK matched full-molecule docking accuracy, and MINT-Dock achieved a 4,800-fold enrichment over random selection. Compared with prior billion-scale brute-force campaigns against {sigma}2, VMAT2, and VAChT, prospective CombiDOCK screens of the 100-billion-molecule library yielded higher hit rates and more potent ligands, while MINT-Dock achieved comparable outcomes across single- and multi-target objectives with >20-fold computational cost reductions. Docking-predicted poses of the best VAChT-binding compounds were confirmed by cryo-EM structures. These methods provide exhaustive and generative paths for navigating the trillion-molecule frontier of drug discovery.

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

Towards Scalable Customization and Deployment of Multi-Agent Systems for Enterprise Applications

Authors:
Paresh Dashore↗Shreyas Kulkarni↗Uttam Gurram↗Nadia Bathaee↗Kartik Balasubramaniam↗Genta Indra Winata↗Sambit Sahu↗Shi-Xiong Zhang↗

Large language model (LLM)-based multi-agent systems demonstrate strong performance on complex reasoning and task execution, enabling broad enterprise applications. However, production deployment remains challenging due to domain-specific customization requirements and high latency and inference costs in agentic workflows. We propose a unified framework for customization and efficient deployment of multi-agent systems in real-world settings. The first stage, Agentic Model Customization, combines continual pretraining, supervised fine-tuning, and preference optimization to adapt a compact model to specialized domains while retaining strong agentic capabilities. The second stage, Inference Optimization, integrates speculative decoding and FP8 quantization with targeted calibration to enable cost-efficient serving with minimal quality loss. Across enterprise workloads, our framework enables rapid domain adaptation and achieves a 4.48x speedup in throughput while maintaining performance and improving robustness on long-tail scenarios.

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23.
arXiv (math.PR) 2026-06-15

Ergodicity for stochastic 2D Boussinesq equations with a highly degenerate pure jump Levy noise

Authors:
Jianhua Huang↗Xuhui Peng↗Xue Wang↗Jiangwei Zhang↗

arXiv:2503.18045v2 Announce Type: replace Abstract: This study aims to analyze the ergodicity for stochastic 2D Boussinesq equations and explore the impact of a highly degenerate pure jump L\'{e}vy noise acting only in the temperature equation, where this noise could appear on only a few Fourier modes. By leveraging the equi-continuity of the semigroup established through Malliavin calculus and an analysis of stochastic calculus, together with the weak irreducibility of the solution process, we prove the existence and uniqueness of the invariant measure. Moreover, we overcome the main challenge of establishing time asymptotic smoothing properties of the Markovian dynamics corresponding to this system by conducting spectral analysis of the Malliavin covariance matrix.

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

AfroScope: A Framework for Studying the Linguistic Landscape of Africa

Authors:
Sang Yun Kwon↗AbdelRahim Elmadany↗Muhammad Abdul-Mageed↗

Language Identification (LID), the task of determining the language of a given text, is a fundamental preprocessing step that shapes the reliability of downstream NLP applications. While recent work has expanded African LID, existing systems remain limited in both language coverage and fine-grained discrimination among closely related languages and varieties. We introduce AfroScope, a unified framework for African LID that includes AfroScope-Data, a dataset covering 640 languages, and AfroScope-Models, a suite of strong LID models with broad African language coverage. To address persistent confusions among closely related languages, we propose a hierarchical classification approach that leverages AfroScope-Mirror, a specialized embedding model for targeted disambiguation, improving macro-F1 by 1.57 points on the confusable subset compared to our best base model. We further analyze cross-lingual transfer and domain effects, showing how language-family structure, script compatibility, and domain coverage shape LID performance. We position African LID as an enabling technology for large-scale measurement of Africa's linguistic landscape in digital text, and release AfroScope-Data and AfroScope-Models online.

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25.
arXiv (CS.AI) 2026-06-17

A Machine-Learned Comorbidity Index

Authors:
Suleman Baloch↗Kishlay Jha↗Alberto M. Segre↗Philip M. Polgreen↗Bijaya Adhikari↗

arXiv:2606.17450v1 Announce Type: new Abstract: Traditional comorbidity scores (e.g., Charlson and Elixhauser) are widely used for risk adjustment and patient stratification, but they have two key limitations: (i) they are largely mortality-centric and do not align well with other clinical outcomes, and (ii) their linear, rule-based structure cannot capture nonlinear, outcome-specific risk relationships. We propose a Machine-Learned Comorbidity Index (MLCI) that maps diagnosis codes to a single scalar by maximizing the normalized Hilbert-Schmidt Independence Criterion (nHSIC) between the learned score and multiple clinical outcomes. MLCI captures nonlinear risk-outcome dependence and is supported by a theory that characterizes when a unified, informative admission-level ordering can be achieved across outcomes. Empirical results on multiple benchmark electronic health record (EHR) datasets show that MLCI outperforms strong baselines across multiple evaluation metrics.

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