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

Policy-driven Conformal Prediction for Trustworthy QoT Estimation

作者:
Kiarash Rezaei↗Omran Ayoub↗Paolo Monti↗Carlos Natalino↗

arXiv:2606.12501v1 Announce Type: new Abstract: We propose Conformal QoT, a policy-driven framework that combines statistically guaranteed QoT estimation with operational decision policies, enabling reliable lightpath-feasibility predictions under domain shift and improving accuracy from 92\% to 99.6\% on open datasets.

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02.
arXiv (CS.LG) 2026-06-25

Generating Input Distributions for Explaining Portfolio Optimization Pipelines

作者:
Batuhan Ata\c{s}↗Nur\c{s}en Ayd{\i}n↗E. Mehmet K{\i}ral↗\c{S}. \.Ilker Birbil↗

arXiv:2606.25808v1 Announce Type: cross Abstract: We propose a predict-optimize-explain framework that uses gradient-based sample generation to interpret various portfolio models by identifying macroeconomic conditions that induce specified portfolio outcomes. Unlike traditional feature-importance methods, this approach directly probes decision pipelines (predictive models coupled with portfolio optimization) by constructing economically meaningful what-if questions. We focus on four such questions: under what macroeconomic conditions a predict-then-optimize pipeline closes or reverses its return gap with a predict-and-optimize pipeline; what conditions lead a pipeline to diversify rather than concentrate its allocation; when a pipeline trained on calm markets overtakes one trained through crises; and what conditions would let a pipeline match a benchmark return. These examples illustrate how our framework uncovers key behavioral differences between various decision pipelines. Beyond these cases, the proposed framework is flexible and can support a wide range of probing questions tailored to specific portfolio objectives. Our findings highlight the value of integrating prediction, optimization, and explanation to produce more robust and transparent portfolio strategies.

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03.
arXiv (quant-ph) 2026-06-17

Time-spectral control of accidental coincidences in daylight entanglement-based free-space QKD

作者:
Jiyoung Moon↗Yonggi Jo↗Zaeill Kim↗Yong Sup Ihn↗Nam Hun Park↗

arXiv:2606.17365v1 Announce Type: new Abstract: Daylight entanglement-based free-space quantum key distribution (QKD) is limited by accidental coincidences from receiver-admitted background light. We develop and experimentally validate a receiver-level framework linking receiver bandwidth, accepted temporal width, and background-noise density to Bob singles, sifted-key rate, error rate, and quantum bit error rate (QBER) in telecom-wavelength BBM92 QKD. Indoor sweeps show that useful sifted counts saturate near the source-matched bandwidth, whereas broader bandwidth or higher background mainly increases accidental contamination. Increasing the accepted temporal width leaves Bob singles nearly unchanged but directly raises QBER by enlarging the random-overlap probability. A two-dimensional design map shows that the temporal-window margin contracts rapidly with increasing background-to-signal ratio, while the bandwidth margin remains comparatively broad near source-matched filtering. A 10 m rooftop daylight experiment demonstrates operation in the predicted low-accidental regime, yielding a mean sifted-key rate of 2,811 cps and a mean QBER of 4.43%.

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04.
arXiv (CS.CL) 2026-06-12

Given, When, Then, Again: Mining Subscenario Refactoring Candidates in Behaviour-Driven Test Suites with ML Classifiers and LLM-Judge Baselines

作者:
Ali Hassaan Mughal↗Noor Fatima↗Muhammad Bilal↗

Context. Behaviour-Driven Development (BDD) test suites accumulate duplicated step subsequences. Three published refactoring patterns are available (within-file Background, within-repo reusable-scenario invocation, cross-organisational shared higher-level step), but no prior work automates which recurring subsequences are worth extracting or which mechanism applies. Objective. Rank recurring step subsequences ("slices") by refactoring suitability (extraction-worthy), pre-map each to one of the three patterns, and quantify prevalence across the public BDD ecosystem. Method. Every contiguous L-step window (L in [2, 18]) in a 339-repository / 276-upstream-owner Gherkin corpus is keyed by paraphrase-robust cluster identifiers and counted under three scopes. SBERT / UMAP / HDBSCAN clustering recovers paraphrase-equivalent slices. Three authors label a stratified 200-slice pool against a written rubric. An XGBoost extraction-worthy classifier trained under 5-fold cross-validation is compared with a tuned rule baseline and two open-weight Large Language Model (LLM) judges. Results. The miner produces 5,382,249 slices collapsing to 692,020 recurring patterns. Three-author Fleiss' kappa = 0.56 (extraction-worthy) and 0.79 (mechanism). The classifier reaches out-of-fold F1 = 0.891 (95% CI [0.852, 0.927]), outperforming both the rule baseline (F1 = 0.836, p = 0.017) and the better LLM judge (F1 = 0.728, p = 1.5e-4). 75.0%, 59.5%, and 11.7% of scenarios carry a within-file Background, within-repo reusable-scenario, and cross-organisational shared-step candidate, respectively; the figures are stable under a sweep of the classifier decision threshold. Conclusion. Paraphrase-robust subscenario discovery yields a corpus-wide census of BDD refactoring candidates; pipeline, classifier predictions, labelled pool, and rubric are released under Apache-2.0.

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05.
arXiv (CS.AI) 2026-06-25

WinDOM: Self-Family Distillation for Small-Model GUI Grounding

作者:
Chengheng Li-Chen↗Zhiqian Zhou↗Hao Chen↗Nicolas Chauvin↗

arXiv:2606.25964v1 Announce Type: new Abstract: Small ($\sim$2B) GUI-grounding agents are attractive for on-device deployment, accessibility tooling, and low-cost iteration, but at this scale they face two open recipe questions: how to obtain bounding-box training data without expensive human annotation, and how to combine supervised fine-tuning with reinforcement learning. We address both, with the explicit goal of pushing small-model performance rather than scaling up. WinDOM is a $54{,}425$-record grounding corpus harvested by driving an open-source Windows 11 web reimplementation under headless Playwright, with bounding boxes read directly off the DOM and no OCR or human annotation. Self-Family Distillation (SFD) is a single rejection-sampling cold-start parameterised only by the teacher choice: either an EMA of the student (no external model) or a frozen larger same-family teacher. We then treat the saturation depth of the SFD cold-start as an explicit GRPO hyperparameter. On a Qwen3.5-2B student, the under-saturated cold-start is a better GRPO initialiser than the converged one: SFD-4B with Early-init RL gains $+5.4$ OOD-mean ($+3.5$ ScreenSpot-Pro, $+7.0$ OSWorld-G, $+5.8$ ScreenSpot-V2) over the base. The same-size EMA mode lands within roughly one OOD-mean point of the cross-size $4$B variant ($65.2$ vs $66.3$) without an external teacher.

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

P3D-Bench: Benchmarking MLLMs for Parametric 3D Generation and Structural Reasoning

作者:
Yikang Yang↗Zhanpeng Hu↗Youtian Lin↗Mengqi Zhou↗Jingxi Xu↗Feihu Zhang↗Jiaheng Liu↗Yao Yao↗

Multimodal large language models can write code to produce complex programs as well as use programs to do 3D modeling, which opens up a new avenue for 3D generation powered by their priors, world knowledge and reasoning. Yet existing benchmarks rarely evaluate 3D modeling through code. Such modeling demands more than runnable code: from a text or visual specification, a model must generate a parametric 3D program that is geometrically precise, semantically aligned and assembly-consistent. We introduce P3D-Bench, a benchmark for parametric 3D generation. Unlike a 3D mesh, a parametric 3D program exposes explicit dimensions, construction operations and part relations, revealing whether a model recovers a design's structure, not just its appearance. Under a unified protocol, P3D-Bench covers three task families (Text-to-3D, Image-to-3D and Assembly-3D) and scores each output for executability, geometric fidelity, topology, text-grounded constraints, multiview semantic alignment and part-level structure. We evaluate frontier MLLMs and text-only LLMs on 400 text cases, 400 image cases and 203 annotated assemblies, with domain-specific models as reference points. Our extensive evaluation yields three findings. First, assemblies are the hardest setting, where models still fail to compose multiple parts into a coherent structure. Second, models can often recover the global shape and semantic identity of the target object, yet fail to reproduce the precise parametric geometry specified by the input. Third, part-level modeling remains weak on assemblies, where models recover neither the geometry of each part nor the right number of parts. These results position P3D-Bench as a benchmark for evaluating precise parametric geometry and part-level structure in parametric 3D generation.

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

Prompt Disentanglement via Language Guidance and Representation Alignment for Domain Generalization

作者:
De Cheng↗Zhipeng Xu↗Xinyang Jiang↗Dongsheng Li↗Nannan Wang↗Xinbo Gao↗

Domain Generalization (DG) seeks to develop a versatile model capable of performing effectively on unseen target domains. Notably, recent advances in pre-trained Visual Foundation Models (VFMs), such as CLIP, have demonstrated considerable potential in enhancing the generalization capabilities of deep learning models. Despite the increasing attention toward VFM-based domain prompt tuning within DG, the effective design of prompts capable of disentangling invariant features across diverse domains remains a critical challenge. In this paper, we propose addressing this challenge by leveraging the controllable and flexible language prompt of the VFM. Noting that the text modality of VFMs is naturally easier to disentangle, we introduce a novel framework for text feature-guided visual prompt tuning. This framework first automatically disentangles the text prompt using a large language model (LLM) and then learns domain-invariant visual representation guided by the disentangled text feature. However, relying solely on language to guide visual feature disentanglement has limitations, as visual features can sometimes be too complex or nuanced to be fully captured by descriptive text. To address this, we introduce Worst Explicit Representation Alignment (WERA), which extends text-guided visual prompts by incorporating an additional set of abstract prompts. These prompts enhance source domain diversity through stylized image augmentations, while alignment constraints ensure that visual representations remain consistent across both the original and augmented distributions. Experiments conducted on major DG datasets, including PACS, VLCS, OfficeHome, DomainNet, and TerraInc, demonstrate that our proposed method outperforms state-of-the-art DG methods.

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

Harnessing cortical geometry, wiring, and function as inductive biases for recurrent neural networks

作者:
Mo Shakiba↗Rana Rokni↗Mohammad Mohammadi↗Nima Dehghani↗

arXiv:2606.14975v1 Announce Type: cross Abstract: How the wiring and functional organization of cortex shape recurrent computation remains a central question in both neuroscience and machine learning. Here, we leverage data released through the Machine Intelligence from Cortical Networks (MICrONS) program–a functional connectomics resource spanning multiple areas of mouse visual cortex, in which dense calcium imaging is co-registered with high-resolution electron microscopy reconstruction from the same animal–to build biologically grounded recurrent neural networks. Using neuronal spatial coordinates, anatomical connectivity, and function-derived relationships from nearly 12,000 coregistered excitatory neurons, we initialize recurrent weights and impose communication-aware spatial constraints during learning. Across three cognitive decision-making tasks, networks constrained by cortical structure and function consistently outperform baseline and partially constrained models. Functional weight initialization provides the largest gain, while real spatial embedding yields robust additional improvements across conditions. These biologically grounded networks also develop low-entropy, modular, and small-world organization, and retain strong performance even when recurrence is restricted to positive weights. Together, our results show that the machinery of cortex–its geometry, wiring, and functional structure–can be harnessed as a powerful inductive basis for building recurrent networks that learn more effectively while converging toward key organizational principles of biological computation.

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

TSegAgent: Zero-Shot Tooth Segmentation via Geometry-Aware Vision-Language Agents

作者:
Shaojie Zhuang↗Lu Yin↗Guangshun Wei↗Yunpeng Li↗Xilu Wang↗Yuanfeng Zhou↗

Automatic tooth segmentation and identification from intra-oral scanned 3D models are fundamental problems in digital dentistry, yet most existing approaches rely on task-specific 3D neural networks trained with densely annotated datasets, resulting in high annotation cost and limited generalization to scans from unseen sources. Thus, we propose TSegAgent, which addresses these challenges by reformulating dental analysis as a zero-shot geometric reasoning problem rather than a purely data-driven recognition task. The key idea is to combine the representational capacity of general-purpose foundation models with explicit geometric inductive biases derived from dental anatomy. Instead of learning dental-specific features, the proposed framework leverages multi-view visual abstraction and geometry-grounded reasoning to infer tooth instances and identities without task-specific training. By explicitly encoding structural constraints such as dental arch organization and volumetric relationships, the method reduces uncertainty in ambiguous cases and mitigates overfitting to particular shape distributions. Experimental results demonstrate that this reasoning-oriented formulation enables accurate and reliable tooth segmentation and identification with low computational and annotation cost, while exhibiting strong generalization across diverse and previously unseen dental scans.

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

Variational Graph Neural Networks for Uncertainty Quantification in Inverse Problems

作者:
David Gonzalez↗Alba Muixi↗Beatriz Moya↗Elias Cueto↗

arXiv:2603.29515v2 Announce Type: replace Abstract: The increasingly wide use of deep machine learning techniques in computational mechanics has significantly accelerated simulations of problems that were considered unapproachable just a few years ago. However, in critical applications such as Digital Twins for engineering or medicine, fast responses are not enough; reliable results must also be provided. In certain cases, traditional deterministic methods may not be optimal as they do not provide a measure of confidence in their predictions or results, especially in inverse problems where the solution may not be unique or the initial data may not be entirely reliable due to the presence of noise, for instance. Classic deep neural networks also lack a clear measure to quantify the uncertainty of their predictions. In this work, we present a variational graph neural network (VGNN) architecture that integrates variational layers into its architecture to model the probability distribution of weights. Unlike computationally expensive full Bayesian networks, our approach strategically introduces variational layers exclusively in the decoder, allowing us to estimate cognitive uncertainty and statistical uncertainty at a relatively lower cost. In this work, we validate the proposed methodology in two cases of solid mechanics: the identification of the value of the elastic modulus with nonlinear distribution in a 2D elastic problem and the location and quantification of the loads applied to a 3D hyperelastic beam, in both cases using only the displacement field of each test as input data. The results show that the model not only recovers the physical parameters with high precision, but also provides confidence intervals consistent with the physics of the problem, as well as being able to locate the position of the applied load and estimate its value, giving a confidence interval for that experiment.

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11.
arXiv (CS.AI) 2026-06-25

Power-Budgeted Underwater Vehicle Control via Constrained Reinforcement Learning

作者:
Yinuo Wang↗Gavin Tao↗Yuze Liu↗

arXiv:2606.25680v1 Announce Type: cross Abstract: Underwater vehicles operate from a fixed onboard energy budget that propulsion rapidly depletes, so a controller that completes its task while drawing less thruster power directly extends mission range and endurance. Reinforcement learning yields capable model-free controllers for station-keeping and trajectory tracking, but optimizing task accuracy alone drives the policy toward oscillatory, energy-wasting actuation. The established remedy subtracts an energy penalty from the reward, yet this sets the task-power trade-off through a single weight with no physical units: a target power level cannot be specified, the weight must be re-tuned for every vehicle and task, and a mismatched weight can even raise power. This paper instead formulates energy-efficient underwater control as a constrained Markov decision process in which average thruster power is subject to an explicit budget, solved with a PPO-Lagrangian algorithm. The power level is set by declaring a budget in physical units, and a single dual variable is updated online to meet it for each vehicle and task, without manual weight search. Across three vehicles and four tasks in the MarineGym simulator, the energy-constrained policy draws the least power in all twelve settings, reducing it by 14–65\% (up to 64.9\%) over a task-only baseline and below an energy-reward baseline everywhere, while remaining the smoothest in ten settings and preserving task accuracy except in one deliberately power-limited regime. Imposing energy as an explicit constraint thus offers a tuning-free route to energy-efficient underwater control that needs no per-vehicle, per-task weight search.

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12.
medRxiv (Medicine) 2026-06-12

Microbial etiology, antibiotic susceptibility profiles, and multidrug resistance of urinary tract infections at a secondary healthcare facility in Ghana

作者:
Agyapong↗J. K↗Damalie↗Dombawel↗Noah↗Balo↗Acheampong↗Kudzordzi↗P.-C↗Nyarko↗Ofori↗D. K↗…

Background: Rising antibiotic resistance challenges empirical therapies for urinary tract infections (UTIs). This study evaluated the microbial etiology, susceptibility profiles, and multidrug resistance (MDR) patterns of uropathogens among outpatients at the Berekum Holy Family Hospital, Ghana. Methods: This cross-sectional study (February to August 2021) screened 263 symptomatic outpatients. Mid-stream urine samples underwent quantitative culture, biochemical identification, and antimicrobial susceptibility testing via the Kirby-Bauer disc diffusion method following the 2021 CLSI guidelines. Results: Significant bacteriuria prevalence was 22.8% (60/263). UTIs predominated in females (78.3%, 47/60; p = 0.1501) and individuals [≥]45 years (33.3%, 20/60). Gram-negative rods accounted for 90.0% of isolates, primarily Escherichia coli (26.7%), Citrobacter spp. (25.0%), and Enterobacter spp. (21.7%); Staphylococcus aureus (10.0%) was the only Gram-positive pathogen. Extreme phenotypic resistance was observed against piperacillin/tazobactam (98.3%), cefotaxime (93.3%), tetracycline (88.3%), and cefoperazone (85.0%). Conversely, highest therapeutic susceptibilities were retained by amikacin (78.3%), levofloxacin (61.7%), and gentamicin (58.3%). Conclusion: The high prevalence of MDR uropathogens against advanced beta-lactamase inhibitor combinations and cephalosporins necessitates an immediate re-evaluation of regional empirical protocols. Amikacin, levofloxacin, and gentamicin remain viable options prior to culture confirmation. These findings establish a crucial phenotypic baseline to guide localized prescribing policies and regional antimicrobial resistance tracking strategies.

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

Quantum-classical physics-informed Kolmogorov-Arnold networks for PDEs

作者:
Xiang Rao↗Yuxuan Shen↗

arXiv:2606.20326v1 Announce Type: new Abstract: We develop QCPIKAN, the first quantum-classical physics-informed Kolmogorov-Arnold network designed to solve partial differential equations (PDEs). Built upon Chebyshev-polynomial KAN layers and parameterized quantum circuits, this hybrid framework embeds physical constraints into the training loss to enforce physical consistency. Our theoretical investigations grounded in approximation theory prove that this design accelerates high-frequency error convergence to an exponential rate and effectively mitigates numerical dispersion. We validate the framework across three typical seepage scenarios in porous media, including single-phase flow, component transport and two-phase flow. Compared with existing quantum-classical physics-informed neural networks, QCPIKAN achieves superior performance in global prediction accuracy, local error control, dynamic evolution tracking and displacement front localization. This work provides a robust and efficient alternative for solving complex PDEs.

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14.
bioRxiv (Bioinfo) 2026-06-22

EMAlign: accurate alignment of cryo-EM maps through main-chain probability using deep learning

作者:
Cao↗Chen↗Li↗Huang↗S.-Y↗

Accurate alignment of cryo-EM density maps is essential for comparing conformational states, searching map libraries, and guiding atomic model building, but remains challenging for noisy experimental maps and partially overlapping structures. Existing alignment methods are often based on raw maps, which may result in reduced accuracy due to the density noise, or require manual intervention for local alignment, which suffers from limited general applicability. Addressing the limitations, we present EMAlign, an automatic global and local cryo-EM map alignment with predicted main-chain probability using deep learning. First, EMAlign predicts main-chain prob ability maps from raw cryo-EM density maps using a BiMCUNet network. Then, a fast Fourier transform (FFT)-based search strategy is used to globally search the accurate alignment between cryo-EM maps based on predicted main-chain probability maps. As such, the main-chain prob ability map overcomes the noisy raw map problem, and the FFT-based exhaustive global search ensures the general applicability of alignment. EMAlign is evaluated on 64 global map pairs, 195 local map pairs, and 60 structure-to-map pairs at 3-10 [A] resolution and compared with gmfit, fitmap, VESPER, and CryoAlign. It is shown that EMAlign outperforms the other methods in both global and local alignment, achieving mean RMSDs of 1.03 [A] (global), 2.56 [A] (local), and 0.82 [A] (structure-to-map), with success rates of 100.0%, 100.0%, and 98.3% under the criterion of RMSD < 10 [A]. The EMAlign package is freely available at https://github.com/huang-laboratory/EMAlign/.

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15.
arXiv (CS.AI) 2026-06-16

Honeypot Protocol

作者:
Najmul Hasan↗

arXiv:2604.13301v1 Announce Type: cross Abstract: Trusted monitoring, the standard defense in AI control, is vulnerable to adaptive attacks, collusion, and strategic attack selection. All of these exploit the fact that monitoring is passive: it observes model behavior but never probes whether the model would behave differently under different perceived conditions. We introduce the honeypot protocol, which tests for context-dependent behavior by varying only the system prompt across three conditions (evaluation, synthetic deployment, explicit no-monitoring) while holding the task, environment, and scoring identical. We evaluate Claude Opus 4.6 in BashArena across all three conditions in both honest and attack modes. The model achieved 100% main task success and triggered zero side tasks uniformly across conditions, providing a baseline for future comparisons with stronger attack policies and additional models.

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

LASA: A Weak Supervision Method for Open-Vocabulary Scene Sketch Semantic Segmentation

作者:
Liwen Yi↗Xianlin Zhang↗Yue Zhang↗Yue Ming↗Xueming Li↗

Open-vocabulary scene sketch semantic segmentation aims to assign dense semantic labels to sparse line drawings based on flexible category vocabularies specified at inference time, without relying on pixel-level annotations during training. Unlike natural images, sketches lack texture and color cues, making semantic understanding heavily dependent on stroke layout and spatial configuration, a challenge that renders single-layer vision-language features inherently unstable. Our key observation is that attention maps from different Vision Transformer layers encode complementary spatial cues: shallow layers capture global structural layouts, while deeper layers focus on local stroke intersections and object parts. This suggests that cross-layer aggregation provides a more robust structural prior than any individual layer alone. Leveraging this insight, we propose a structure-aware framework built upon Layer-wise Accumulated Structural Attention (LASA), which aggregates multi-layer attention to guide hierarchical semantic alignment under weak supervision and refine predictions during inference. Experiments on FS-COCO, SFSD, and FrISS show that LASA improves mIoU by $+3.43$, $+8.01$, and $+15.74$ over the prior weakly supervised baselines, demonstrating consistent gains in both segmentation accuracy and spatial coherence. Our source code will be made publicly available.

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

Supervised Reinforcement Learning for the Coordination of Distributed Energy Resources

作者:
Haoyuan Deng↗Yihong Zhou↗Thomas Morstyn↗Yi Wang↗

arXiv:2606.24947v1 Announce Type: new Abstract: The increasing integration of distributed energy resources (DERs) is crucial for power system decarbonization, yet unlocking DERs' flexibility is challenged by their inherent uncertainties and modelling complexity. As traditional optimization methods struggle with such uncertainty and complexity of DERs, reinforcement learning (RL) has emerged as a promising alternative for DER management. However, standard RL methods suffer from sample inefficiency and sub-optimality when trained from scratch. Inspired by the training paradigms in large language models, this paper proposes a Supervised Reinforcement Learning (SRL) framework for learning DER coordination policies. This framework first pre-trains a policy on demonstration data in a supervised-learning fashion, which is then further fine-tuned using RL. Furthermore, we propose a two-step fine-tuning process: offline fine-tuning for enhancing policy performance and online fine-tuning for adapting it to the real-world dynamics. Experiments demonstrate that RL implementations based on the proposed framework significantly outperform all benchmarks, achieving high cost efficiency even under low-quality demonstration data.

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18.
arXiv (CS.AI) 2026-06-24

JEDEL: Zero-Shot DNA-Encoded Library Design for Early-Stage Drug Discovery

作者:
Zygimantas Jocys↗Zhanxing Zhu↗Henriette M. G. Willems↗Katayoun Farrahi↗

arXiv:2606.23745v1 Announce Type: cross Abstract: We present JEDEL, a framework for generating synthesis-ready DNA-encoded libraries (DELs) directly from three-dimensional pharmacophore representations of active ligands. JEDEL is the first model to map pharmacophore interaction patterns to actionable, scalable synthesis instructions, enabling the design of targeted libraries comprising potentially millions of molecules. Unlike existing generative approaches that produce virtual compounds requiring downstream synthesis planning, JEDEL operates within the space of purchasable building blocks and validated reactions, ensuring that every output is experimentally realizable by construction. JEDEL learns a predictive alignment between pharmacophore geometry and molecular structure and decodes this into combinatorial synthesis routes at scale. Across 18 protein targets, it generates focused libraries that outperform random and diversity-based baselines in predicted binding affinity, pharmacophore recovery, and sample efficiency, without target-specific retraining. JEDEL enables a shift from virtual molecule generation to experimentally deployable library design.

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

Inverse Reinforcement Learning for Interpretable Keystroke Biomarkers in Parkinson's Disease

作者:
Navin Bondade↗

arXiv:2606.25270v1 Announce Type: new Abstract: Keystroke dynamics have been explored extensively as a passive digital biomarker for Parkinson's disease (PD), typically by extracting summary statistics from typing timing and training a classifier to discriminate PD from healthy controls. We instead apply inverse reinforcement learning (IRL) to keystroke data, modeling each keystroke as a discrete choice over typing speed and recovering, per subject, an interpretable reward function that explains their observed timing behavior. To our knowledge this is the first application of IRL to keystroke dynamics. On the public neuroQWERTY MIT-CSXPD dataset (85 subjects, 42 with PD), an initial four-parameter reward decomposition (speed, effort, smoothness, hand-alternation cost) was found to suffer severe feature collinearity between two terms ($r=1.000$ in typical contexts); we diagnose and correct this, yielding an identifiable three-parameter model. The recovered speed-preference weight correlates with UPDRS-III severity at $r=-0.607$ ($p

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20.
arXiv (CS.CV) 2026-06-16

GOOSE-M2F: Adapting Mask2Former for High-Fidelity, Long-Tailed Fine-Grained Semantic Segmentation in Unstructured Outdoor Terrain

作者:
Jyothiraditya Lingam↗Nikhileswara Rao Sulake↗Sai Manikanta Eswar Machara↗

We present GOOSE-M2F, a task-specific adaptation of Mask2Former for the GOOSE 2D Fine-Grained Semantic Segmentation (FGSS) Challenge at ICRA~2026. The GOOSE benchmark spans 64 fine-grained classes across unstructured outdoor terrain with a severely long-tailed distribution, where rare classes occupy fewer than 50 pixels per image. We extend the Swin-Large Mask2Former baseline with three targeted contributions: (1)200 Object Queries to eliminate representational saturation; (2)a Feature Refinement Module (FRM) combining ASPP-lite and CBAM dual-attention; and (3)an Auxiliary Supervision Head that delivers direct per-pixel gradients for rare classes. A multi-stage training strategy pairs Distribution-Balanced loss, Rare-Class Copy-Paste augmentation, dynamic IoU-aware re-weighting, and EMA. At inference, a dense sliding-window engine with 2D Gaussian kernel blending and 4-scale TTA adds +10.57\%. GOOSE-M2F achieves 70.08\% Official Composite mIoU (63.55\% fine, 76.61\% coarse), placing 3rd on the GOOSE 2D FGSS leaderboard. Code and trained models are publicly available at: \href{https://github.com/Aditya-Lingam-9000/GOOSE-M2F}{Github GOOSE-M2F Code} and \href{https://huggingface.co/XYZ9843/GOOSE-M2F}{Hugging Face GOOSE-M2F}.

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21.
arXiv (CS.LG) 2026-06-24

Density-Informed Pseudo-Counts for Calibrated Evidential Deep Learning

作者:
Pietro Carlotti↗Nevena Gligi\'c↗Arya Farahi↗

arXiv:2602.01477v2 Announce Type: replace-cross Abstract: Evidential Deep Learning (EDL) is a popular framework for uncertainty-aware classification that models predictive uncertainty via Dirichlet distributions parameterized by neural networks. Despite its popularity, its theoretical foundations and behavior under distributional shift remain poorly understood. In this work, we provide a principled statistical interpretation by proving that EDL training corresponds to amortized variational inference in a hierarchical Bayesian model with a tempered pseudo-likelihood. This perspective reveals a major drawback: standard EDL conflates epistemic and aleatoric uncertainty, leading to systematic overconfidence on out-of-distribution (OOD) inputs. To address this, we introduce Density-Informed Pseudo-count EDL (DIP-EDL), a new parametrization that decouples class prediction from the magnitude of uncertainty by separately estimating the conditional label distribution and the marginal covariate density. This separation preserves evidence in high-density regions while shrinking predictions toward a uniform prior for OOD data. Theoretically, we prove that DIP-EDL achieves asymptotic concentration. Empirically, we show that our method enhances interpretability and improves robustness and uncertainty calibration under distributional shift.

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22.
bioRxiv (Bioinfo) 2026-06-16

Infectious Disease Forecasting via Physics-Informed Machine Learning

作者:
Hart↗J. C↗Smith↗McMahan↗Rennert↗

Infectious disease transmission evolves as a dynamic process shaped by biological mechanisms, population behavior, and intervention policies, yet public health responses are often driven by lagging indicators. Accurate short- and long-term disease forecasting is essential for the timely deployment of intervention strategies, healthcare capacity planning, and uncertainty-aware, risk-informed decision-making. To address this challenge, three broad classes of forecasting models have traditionally been used: statistical, machine learning, and mechanistic approaches. However, each of these modeling paradigms faces fundamental limitations. In particular, traditional statistical models often lack the flexibility needed to capture complex disease dynamics, machine learning approaches require large, high-quality data streams, and mechanistic models are notoriously difficult to calibrate. To overcome these challenges, we propose a novel physics-informed machine learning (PIML) framework for forecasting infectious disease dynamics. Our approach simultaneously forecasts new case and hospitalization counts, along with other key epidemiological quantities such as the time-varying reproduction number. This is achieved through the design of a machine learning model and estimation strategy regularized by a system of differential equations that encode disease dynamics of the SIHR model, thereby bridging the gap between purely data-driven and mechanistic models. We demonstrate the proposed methodology through in-depth numerical studies and an application to COVID-19 data collected in the state of South Carolina.

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23.
arXiv (CS.CV) 2026-06-16

MMDiff: Extending Diffusion Transformers for Multi-Modal Generation

作者:
Yagmur Akarken↗Orest Kupyn↗Christian Rupprecht↗

Diffusion transformers have demonstrated remarkable generative capabilities, yet the rich perceptual representations computed across their denoising trajectory are discarded once the content is rendered. We present MMDiff, a framework that transforms a frozen diffusion transformer into a multi-modal generative system that jointly produces images alongside any combination of dense perceptual modalities using lightweight decoder heads. Our central finding is that perceptual information is temporally distributed along the denoising trajectory, and that multi-timestep feature fusion with spatially varying aggregation weights is essential, improving semantic segmentation results by up to 28.7% mIoU over single-timestep extraction. We further adopt concept-driven attention extraction for interpretable spatial guidance, and show that frozen diffusion features are competitive with and complementary to state-of-the-art encoders such as DINOv3. By training only lightweight decoder heads on a frozen backbone, we achieve strong performance in semantic segmentation, salient object detection, and depth estimation, and demonstrate that this framework enables effective synthetic data generation at scale.

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

The Environmental Cost of LLMs in AIED: Reporting and Practices

作者:
Sabrina C. Eimler↗Lukas Erle↗Daniel Flood↗Aditi Haiman↗Luca H\"ackert↗Andr\'e Helgert↗Lachlan McGinness↗B\"usra Yapici↗

arXiv:2606.11215v1 Announce Type: cross Abstract: Large Language Model (LLM) usage in recent years has become increasingly widespread in the Artificial Intelligence in Education (AIED) community. While LLMs offer unique avenues for learners and educators, using LLMs comes with computational and environmental costs. These costs are mostly hidden due to a lack of standardised procedures to measure and report these impacts. To address this gap, we first conducted a literature review of all papers published as part of the AIED 2025 conference proceedings, determining if and how computational or environmental costs of LLMs are reported. Most projects use LLMs, but few report computational resources used and almost none discuss environmental impacts of LLMs as an ethical concern. To address this lack of standardised reporting practices, we propose an open-source method for systematically measuring and reporting the computational expense of LLMs and environmental impact of running Machine Learning (ML) AIED systems. We provide software solutions to measure the carbon footprint for both local and cloud based hardware. We also provide an easy-to-use formula to calculate the computational expense of frontier LLMs even when the exact number of parameters is not known. Overall, we hope to motivate colleagues to use our method to strive for more transparent reporting of hidden costs of using LLMs in the AIED community.

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

OmniDrive: An LLM-Choreographed Multi-Agent World Model with Unified Latent Co-Compression for Multi-View Driving Video Generation

作者:
Zijie Meng↗Yufei Liu↗Chengqian Ma↗Zhiyu Li↗Jiyuan Liu↗Wenhua Nie↗Bingcai Wei↗Shuqin Chen↗Weichen Xu↗Jiquan Yuan↗Miao Zhang↗

Generative world models for autonomous driving face two unresolved tensions: heterogeneous control injection, where free-form language, HD-maps, trajectories, and camera poses reside in incompatible representational spaces, and post-hoc cross-view fusion, where per-camera latents fail to encode global 3-D geometry. We trace both to a single root cause: the absence of a shared symbolic interlingua aligning language, geometry, and pixels at the latent-token level. We present DRIVE-CHOREO, an LLM-choreographed multi-agent world model that recasts controllable multi-view video generation as latent choreography. Three Qwen2.5-VL agents - a Director parsing user intent into a structured WorldScript, a Cartographer grounding it into spatially-anchored layout tokens, and an Auditor feeding cross-view critiques back as auxiliary supervision - jointly author a single position-aware token sequence. This sequence is co-compressed with the multi-view video via a view-time permutation that enforces inter-camera geometry within the convolutional receptive field of a 3-D VAE. On nuScenes, DRIVE-CHOREO sets new state-of-the-art multi-view consistency and BEV mAP (21.6) with competitive FVD (45.7); a detector trained purely on our synthetic data gains +2.4 NDS on the real validation split, validating downstream utility.

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