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01.
arXiv (CS.AI) 2026-06-11

Human-Enhanced Loop Modeling (HELM): Agent-Based Finite Element Modeling of Concrete Bridge Barriers

作者:
Quankai Wang↗Yulin Xie↗Tongfei Yang↗Minghui Cheng↗Ran Cao↗

arXiv:2606.12025v1 Announce Type: new Abstract: Finite element (FE) modeling of safety-critical infrastructure such as bridge barriers requires high-fidelity nonlinear dynamic analysis, yet the current FE modeling process remains labor-intensive and lacks automation. This paper presents the Human-Enhanced Loop Modeling (HELM) framework, a collaborative human-agent protocol that decomposes long-sequence finite element modeling into discrete, visually verifiable checkpoints across geometry generation, boundary condition definition, and material assignment. The framework is demonstrated through a 20-case matrix of reinforced concrete bridge barriers under MASH TL-4 and TL-5 lateral loading conditions, interfacing specialized agents with two widely used commercial FE softwares, i.e., ANSYS and LS-PrePost. Experimental results show that HELM improves the baseline autonomous modeling success rate from 20% to 75%, with agent-level pass rates for geometry and boundary condition tasks approximately doubling. Error analysis reveals that spatial reasoning and algebraic logic limitations constitute the primary failure modes, underscoring the value of structured human-in-the-loop intervention for modeling automation. The complete agent design code and prompts are open-sourced and can be accessed at: https://github.com/SimAgentDev/Ansys-LSPP-AgentKit.

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02.
arXiv (CS.LG) 2026-06-18

Unsupervised Diffusion Solver for Combinatorial Optimization via Combinatorial Adjoint Matching

作者:
Shengyu Feng↗Tarun Suresh↗Yiming Yang↗

arXiv:2605.30920v2 Announce Type: replace Abstract: Diffusion-based neural solvers have shown strong promise for combinatorial optimization (CO), but existing methods typically rely on supervised training with large collections of near-optimal solutions. In this work, we extend adjoint-based trajectory optimization methods to discrete combinatorial domains. We formulate diffusion-based CO as a stochastic control problem over Continuous-Time Markov Chains and introduce discrete adjoint dynamics for propagating optimization signals through discrete generative trajectories. Building on this formulation, we propose Combinatorial Adjoint Matching (CAM), an unsupervised training framework for discrete diffusion solvers with structured and low-variance trajectory-level optimization signals. Empirically, CAM consistently outperforms existing unsupervised diffusion baselines and achieves performance competitive with strong supervised diffusion solvers and even traditional solvers across diverse combinatorial optimization problems. Our code is available at https://github.com/Shengyu-Feng/CAM.

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03.
arXiv (CS.CV) 2026-06-12

Cascade Classification of Dermoscopic Images of Skin Neoplasms with Controllable Sensitivity and External Clinical Validation

作者:
Elena S. Kozachok↗Sergey S. Seregin↗Aleksandr V. Kozachok↗Ilya P. Latyshev↗Oleg I. Samovarov↗

Purpose. To compare deep learning architectures and classification schemes for dermoscopic images of skin neoplasms and assess their generalization on transfer from open international datasets to independent clinical datasets of Russian practice. Methods. Four architectures (ViT-B/16, Swin-S, ConvNeXt-S, EfficientNetV2-S) were compared in three schemes: binary (malignant/benign), single-stage four-class (benign, MEL, SCC, BCC), and a two-stage cascade (binary triage, then three-class differentiation MEL/SCC/BCC). All models used ImageNet-pretrained weights and a single augmentation protocol on aggregated open ISIC Archive data, and were evaluated on an internal held-out sample and two clinical datasets (Melanoscope AI mobile system; Sechenov University). Results. Internally the binary stage attains ROC-AUC 0.952-0.966; on Sechenov University it drops to 0.797-0.893, sensitivity to 0.53-0.67, and ECE rises from 0.02 to 0.27-0.39 with underestimation of malignancy, quantifying a generalization gap in ranking and calibration. Paired tests confirm one inter-architecture result on clinical data: the deficit of ViT-B/16 at the binary stage (p

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

AI Sandboxes: A Threat Model, Taxonomy, and Measurement Framework

作者:
Inderjeet Singh↗Haitham Mahmoud↗Andr\'es Murillo↗

arXiv:2606.18532v1 Announce Type: cross Abstract: AI systems are increasingly evaluated in bounded environments that combine isolation, simulation, instrumentation, supervision, and evidence capture. For physical AI, AIoT, and cyber-physical systems, this shift is not a matter of terminology: the system under test may sense, decide, actuate, communicate, and fail through physical processes, networked devices, and human operators. This article develops an assurance-oriented account of AI sandboxes as controlled environments for testing, evaluation, verification, and validation across digital AI, embodied autonomy, and cyber-physical deployments. We formalize the sandbox boundary and a weakest-link rule for composing per-dimension evidence into a bounded deployment claim; separate major sandbox archetypes; define a cyber-physical threat model that includes attacks on the assurance apparatus itself; and introduce a measurement framework spanning fidelity, controllability, observability, containment, reproducibility, and governance artifacts, instantiated on three worked case studies of real sandboxes. The resulting threat model, taxonomy, and measurement framework clarify what a sandbox can validly test, which risks it can contain, and what forms of evidence it can support for safety, security, and regulatory assurance.

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05.
arXiv (CS.LG) 2026-06-17

Manifold GCN: Diffusion-based Convolutional Neural Network for Manifold-valued Graphs

作者:
Martin Hanik↗Gabriele Steidl↗Christoph von Tycowicz↗

arXiv:2401.14381v3 Announce Type: replace Abstract: We propose two graph neural network layers for graphs with features in a Riemannian manifold. First, based on a manifold-valued graph diffusion equation, we construct a diffusion layer that can be applied to an arbitrary number of nodes and graph connectivity patterns. Second, we model a tangent multilayer perceptron by transferring ideas from the vector neuron framework to our general setting. Both layers are equivariant under node permutations and the feature manifold's isometries. These properties have led to a beneficial inductive bias in many deep-learning tasks. Furthermore, they enable novel, more flexible feature designs. Numerical examples on synthetic data and an Alzheimer's classification application on triangle meshes of the right hippocampus demonstrate the usefulness of our new layers: While they apply to a much broader class of problems, they outperform task-specific state-of-the-art networks.

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

Landsat-Sentinel-2 Algal Bloom Mapping Using Vision Transformers: Model Description, Implementation, and Examples

作者:
Thainara Lima↗Vitor Martins↗

Coastal algal bloom monitoring requires frequent, spatially detailed, and globally consistent observations, provided by Landsat-8/9 and Sentinel-2 A/B/C. Together, these missions offer over a decade of medium-resolution multispectral imagery with near-global coverage every 2-3 days, enabling the detection of fragmented bloom structures not resolvable by coarse ocean-color sensors. However, their use in aquatic environments remains challenging due to limited spectral coverage and a lack of harmonized reflectance products. As an alternative to traditional bio-optical methods, deep learning-based image classification offers a data-driven approach that can overcome many of these limitations. This study presents the first successful implementation of vision transformer-based coastal algal bloom mapping using 30-m Landsat-Sentinel-2 images. A globally distributed bloom patch dataset was generated across bloom-prone coastal hotspots worldwide. Four transformer-based architectures were compared against a standard convolutional baseline for fine-scale bloom detection, and assessed under different optical water types and atmospheric and surface conditions. All deep learning models showed strong capabilities in detecting floating bloom areas, with omission and commission errors of 8-65%. Under cloud and glint stress in a time series, the Swin Transformer outperformed traditional spectral-index approaches, which produced widespread false positives, effectively avoiding cloud- and glint-affected pixels. Comparisons with MODIS-derived products further highlighted the benefits of higher spatial resolution in detecting fragmented and irregularly affected blooms. Our findings support deep learning as a reliable tool for medium-resolution, consistent monitoring of floating algal blooms in dynamic coastal environments.

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07.
arXiv (CS.AI) 2026-06-18

A Hybrid LSTM–Vision Transformer Architecture for Predicting HRRR Forecast Errors

作者:
David Aaron Evans↗Jay C. Rothenberger↗Kara J. Sulia↗Nick P. Bassill↗Chris D. Thorncroft↗

arXiv:2606.19026v1 Announce Type: cross Abstract: Forecast errors in high-resolution numerical weather prediction (NWP) systems are often linked to unresolved planetary boundary layer (PBL) processes, convection, terrain-induced circulations, and other vertically structured atmospheric phenomena. Previous work demonstrated that Long Short-Term Memory (LSTM) networks can successfully predict forecast errors in the High-Resolution Rapid Refresh (HRRR) model using mesonet observations, but we believe performance degradation is linked to periods of complex vertical atmospheric evolution. To address this limitation, we develop a hybrid LSTM-Vision Transformer (LSTM-ViT) framework that combines temporal sequence learning from surface observations with atmospheric profiles from the New York State Mesonet profiler network. The LSTM-ViT framework is trained to predict HRRR hourly precipitation, 10 m wind speed, and 2 m temperature forecast errors at individual mesonet stations. Across all three predictors, incorporation of profiler-derived atmospheric structure improves forecast error prediction skill relative to the baseline LSTM architecture, with the largest gains occurring at shorter forecast lead times and during periods of enhanced PBL activity. Improvements are particularly pronounced for precipitation forecast error, where the LSTM-ViT framework achieves approximately a twofold increase in predictive skill relative to the baseline LSTM while better capturing convectively driven error evolution and reducing degradation associated with PBL processes. These results demonstrate that combining temporal sequence learning with vertically informed attention mechanisms provides a physically meaningful pathway for improving forecast error prediction in operational NWP systems. Our research offers forecasters enhanced guidance regarding model bias and forecast confidence.

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

X-OPD: Cross-Modal On-Policy Distillation for Capability Alignment in Speech LLMs

作者:
Di Cao↗Dongjie Fu↗Hai Yu↗Siqi Zheng↗Xu Tan↗Tao Jin↗

While the shift from cascaded dialogue systems to end-to-end (E2E) speech Large Language Models (LLMs) improves latency and paralinguistic modeling, E2E models often exhibit a significant performance degradation compared to their text-based counterparts. The standard Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL) training methods fail to close this gap. To address this, we propose X-OPD, a novel Cross-Modal On-Policy Distillation framework designed to systematically align the capabilities of Speech LLMs to their text-based counterparts. X-OPD enables the Speech LLM to explore its own distribution via on-policy rollouts, where a text-based teacher model evaluates these trajectories and provides token-level feedback, effectively distilling teacher's capabilities into student's multi-modal representations. Extensive experiments across multiple benchmarks demonstrate that X-OPD significantly narrows the gap in complex tasks while preserving the model's inherent capabilities.

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

VENI: Variational Encoder for Natural Illumination

作者:
Paul Walker↗James A. D. Gardner↗Andreea Ardelean↗William A. P. Smith↗Bernhard Egger↗

Inverse rendering is an ill-posed problem, but priors such as illumination priors can help simplify it. Existing work either disregards the spherical and rotation-equivariant nature of illumination environments or does not provide a well-behaved latent space. We propose a rotation-equivariant variational autoencoder that models natural illumination on the sphere without relying on 2D projections. To preserve the SO(2)-equivariance of environment maps, we use a novel Vector Neuron Vision Transformer (VN-ViT) as encoder and a rotation-equivariant conditional neural field as decoder. In the encoder, we reduce the equivariance from SO(3) to SO(2) using a novel SO(2)-equivariant fully connected layer, an extension of Vector Neurons. We show that our SO(2)-equivariant fully connected layer outperforms standard Vector Neurons when used in our SO(2)-equivariant model. Compared to previous methods, our variational autoencoder enables smoother interpolation in latent space and offers a more well-behaved latent space.

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10.
arXiv (math.PR) 2026-06-19

Maximal rigidity of random measure and uniqueness pairs: stealthy processes, quasicrystals and periodicity

作者:
Rapha\"el Lachi\`eze-Rey↗

arXiv:2512.10686v2 Announce Type: replace Abstract: This article investigates the phenomenon of maximal rigidity in spatial processes, where perfect interpolation of the process is possible from partial information, specifically, from its restriction to a strict subdomain, often resulting in a trivial tail $\sigma$algebra. A classical example known since the 1930's is that a time series is fully determined by its values on the negative integers if its spectrum has a gap, or at least a sufficiently deep zero. We extend such results to higher dimensions and continuous settings by establishing a connection with the concept of uniqueness pairs, rooted in the uncertainty principle of harmonic analysis. We present several other manifestations of this principle, unify and strengthen seemingly unrelated results across different models: quasicrystals and stealthy processes are shown to be maximally rigid on cones, and discrete integer-valued processes are necessarily periodic when they have a simply connected spectrum. Finally, we identify a surprising class of continuous fields with seemingly standard behavior, such as linear variance and finite dependency range, that undergo a phase transition: they are perfectly interpolable on B(0, $\rho$) for $\rho$ ___ 2 $\pi$ but exhibit no rigidity for $\rho$ > 2.

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

CLAD: Constrained Latent Action Diffusion for Vision-Language Procedure Planning

作者:
Lei Shi↗Andreas Bulling↗

We propose CLAD, a Constrained Latent Action Diffusion model for vision-language procedure planning in instructional videos. Procedure planning is the challenging task of predicting intermediate actions given a visual observation of a start and a goal state. However, future interactive AI systems must also be able to plan procedures using multi-modal input, e.g., where visual observations are augmented with language descriptions. To tackle this vision-language procedure planning task, our method uses a Variational Autoencoder (VAE) to learn the latent representation of actions and observations as constraints and integrate them into the diffusion process. This approach exploits that the latent space of diffusion models already has semantics that can be used. We use the latent constraints to steer the diffusion model to better generate actions. We report extensive experiments on the popular CrossTask, Coin, and NIV datasets and show that our method outperforms state-of-the-art methods by a large margin. By evaluating ablated versions of our method, we further show that the proposed integration of the action and observation representations learnt in the VAE latent space is key to these performance improvements.

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12.
arXiv (CS.CV) 2026-06-25

Teach-to-Reason: Competition-Guided Reasoning with a Self-Improving Teacher

作者:
Xiao Han↗Hao Liu↗Zhimin Bao↗Jile Jiao↗Yue Wang↗Hui Guo↗Xiaofeng Mou↗Yi Xu↗

Chest X-ray visual question answering (CXR VQA) requires models not only to predict correct answers, but also to produce reliable medical reasoning. However, existing reinforcement-learning-based training typically relies on answer-level rewards, which are often too coarse to improve chain-of-thought (CoT) quality and can become ineffective when group-level advantages collapse to zero. We propose Teach-to-Reason (T2R), a framework that introduces comparison-based supervision into CoT optimization through a self-improving Teacher and a competition-guided Reasoner. As the Teacher is iteratively strengthened via self-competition, the Reasoner is optimized against progressively stronger Teacher-generated references. We further introduce a case-wise reward design that preserves the original reward-induced positive/negative partition when it is informative, and restores supervision from competition scores when the original reward signal degenerates. Experiments on multiple CXR open-ended VQA benchmarks show that T2R consistently outperforms strong baselines, indicating that comparison-based supervision, when integrated in a controlled and principled manner, provides a more effective training signal for reasoning optimization.

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

QuantKAN: A Unified Quantization Framework for Kolmogorov Arnold Networks

作者:
Kazi Ahmed Asif Fuad↗Lizhong Chen↗

arXiv:2511.18689v3 Announce Type: replace Abstract: Kolmogorov–Arnold Networks (KANs) replace linear weights with spline-based functions, offering strong expressivity but posing challenges for low-precision deployment due to heterogeneous parameter distributions. We introduce QuantKAN, the first unified framework for quantization-aware training (QAT) and post-training quantization (PTQ) of KANs. The framework employs branch-aware quantizers for base and spline parameters and extends modern QAT and PTQ methods to spline-based layers across EfficientKAN, FastKAN, PyKAN, and KAGN. Experiments on MNIST, CIFAR-10/100, TinyImageNet, and ImageNet provide the first unified QAT/PTQ KAN benchmarks and show that DSQ is the most robust QAT method at aggressive low-bit settings, while GPTQ is the strongest PTQ method at moderate precision. Sensitivity analyses reveal architecture-specific failure modes: spline/basis parameters dominate in FastKAN, while base or scaling parameters dominate in EfficientKAN, GRAM, and PyKAN. Vivado HLS estimates on a Xilinx UltraScale+ device further suggest up to 3.32$\times$ throughput and 7.7$\times$ lower estimated dynamic energy per inference under W4A4, exposing a residual basis-evaluation tax that motivates basis-aware microarchitecture. QuantKAN is available at https://github.com/OSU-STARLAB/QuantKAN/.

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

GLARE: A Natural Language Interface for Querying Global Explanations

作者:
Bhavan Vasu↗Rajesh Mangannavar↗

arXiv:2606.19735v1 Announce Type: new Abstract: While global explanations are crucial for understanding vision models across datasets, classes, and decision contexts, their complex and monolithic nature often hinders practical exploration. Because users typically seek targeted answers to specific questions rather than static artifacts, we present an LLM-based interactive interface that provides natural language access to global explanations for black-box image classifiers. The system's core LLM acts as a mediator, translating natural language questions into structured SQL queries over local explanation data. This enables flexible aggregation without exposing users to low-level representations. For each query, the interface outputs statistics-augmented natural language responses, supporting local explanations, and intent-aligned visualizations. We evaluate the system on intent interpretation, query mapping accuracy, generalization to novel queries and datasets, and robustness to linguistic errors. Our results demonstrate that LLM-mediated querying substantially improves the accessibility and usability of global explanations for human-centered XAI.

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

Execution-bound advisory automation for agentic AI: a reproducible AIBOM-driven CSAF-VEX framework

作者:
Petar Radanliev↗Omar Santos↗Carsten Maple↗Kay Atefi↗

arXiv:2606.19390v1 Announce Type: cross Abstract: A protocol driven framework is presented that binds SBOM and AIBOM artefacts to deterministic environment capture and structured runtime telemetry. Exploitability is computed from declared artefacts, observed activation conditions, and enforced execution policies. CSAF VEX advisories are generated from combined static and runtime evidence, cryptographically signed, and validated through deterministic replay. Evaluation uses approximately 10000 component entries across synthetic Agentic AI workloads 50 to 5000 components, incorporating OSV, GitHub Advisory, KEV, and EPSS datasets.

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

Pulling The REINS: Training-Free Safety Alignment of Video Diffusion Models via Representation Steering

作者:
Rohit Kundu↗Arindam Dutta↗Sarosij Bose↗Athula Balachandran↗Amit K. Roy-Chowdhury↗

Open-weight video diffusion models can generate photorealistic unsafe content, from violence to misinformation, yet existing defenses either require expensive safety fine-tuning that degrades general capability, or apply external filters that are trivially bypassed by adversarial prompts. We present REINS (REpresentation-space INference-time Safety steering), a training-free method that aligns video diffusion models at inference time by steering their internal representations toward safe generation. Our key finding is that safety-relevant structure is linearly encoded in the hidden-state activations of video diffusion transformers, and a single direction, discovered via Supervised PCA on binary safety labels, suffices to separate safe from unsafe generation trajectories. At inference, adding this direction to hidden states at an intermediate transformer layer redirects generation from harmful content to semantically related safe alternatives, with no weight updates, no concept enumeration, and negligible computational overhead. Through mechanistic analysis, we reveal that while safety information accumulates monotonically with transformer depth, steering effectiveness peaks at intermediate layers (~50% depth), exposing a fundamental tradeoff between information availability and downstream propagation capacity. We evaluate REINS across 9 video diffusion models, multiple parameter scales (1.3B-5B), and both text-to-video and image-to-video generation, to our knowledge, the broadest safety evaluation suite in the video generation literature.

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

Promise and challenges of heart chamber segmentation from non-contrast CT scans using contrastive unpaired image translation: a feasibility study

作者:
Jing Wang↗Tong Yu↗Hao-En Lu↗Zixue Zeng↗Joseph K. Leader↗Xin Meng↗Jianbing Zhu↗Jiantao Pu↗

arXiv:2606.23879v1 Announce Type: cross Abstract: Purpose: To evaluate the feasibility and challenges of heart chamber segmentation from non-contrast CT scans using contrastive unpaired image translation and deep learning-based segmentation. Approach: We developed ChameleonNet, a framework utilizing the Contrastive Unpaired Translation (CUT) network with decoupled contrastive learning (DCL) loss to synthesize non-contrast CT from contrast CT scans. Using annotations of four heart chambers (left atrium (LA), left ventricle (LV), right atrium (RA), and right ventricle (RV)) from contrast scans, we trained a Hausdorff distance loss-enhanced nnU-Net on synthesized non-contrast images. The translation model was trained with 35,538 contrast-enhanced and 37,197 non-contrast CT slices. The segmentation model was trained with 292 synthesized non-contrast scans. Performance was evaluated using Dice similarity coefficient (DSC) and 95th Hausdorff distance (HD95) on 36 synthesized non-contrast scans, and volume agreement on 36 real non-contrast CT scans was assessed using Pearson correlation, mean absolute percentage error (MAPE), and mean percentage error (MPE). Results: The segmentation model achieved DSC of 0.94 (0.01), 0.91 (0.04), 0.92 (0.03), 0.93 (0.02), and HD95 of 3.63 (1.49), 5.74 (4.08), 5.18 (1.77), 5.51 (3.21) mm on synthesized non-contrast images for LA, LV, RA, and RV, respectively. On real non-contrast CT scans, Pearson correlations were 0.93, 0.82, 0.87, and 0.89 (all p

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18.
Nature (Science) 2026-06-24

Optical cooling by interfacial charge transfer in 2D heterostructures

作者:
Jiamin Lin↗

Optical refrigeration, or laser cooling of solids1, offers a cryogen-free route to temperature control for quantum and electronic systems. Existing progress2–8 relies on a phonon-assisted up-conversion photoluminescence approach, which remains constrained by stringent material and excitation requirements. Here we demonstrate a distinct route, interfacial-charge-transfer-driven optical cooling, in two-dimensional semiconductor heterostructures. Photo-excited carriers in WSe2 cross a type-II junction into MoSe2 or WS2, extracting lattice energy nonradiatively—through a phonon-assisted interfacial charge transfer process. Raman and photoluminescence measurements show prominent low-temperature signatures in the WSe2 layer, with transient absorption spectroscopy identifying a phonon-assisted, barrier-activated interlayer charge transfer. Molecular dynamics simulations show a prominent interfacial thermal resistance sustaining the temperature gradient. This barrier-mediated phonon extraction bypasses the need for near-unity quantum efficiency or resonant excitation, offering a promising strategy for cryogen-free refrigeration and thermal management in quantum, optoelectronic and nanoscale systems. Optical cooling in two-dimensional semiconductor heterostructures is demonstrated through phonon-assisted interfacial charge transfer, enabling cryogen-free thermal management without stringent quantum-efficiency requirements.

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19.
arXiv (CS.AI) 2026-06-24

2.5-D Decomposition for LLM-Based Spatial Construction

作者:
Paul Whitten↗Li-Jen Chen↗Sharath Baddam↗

arXiv:2605.07066v3 Announce Type: replace Abstract: Autonomous systems that build structures from natural-language instructions need reliable spatial reasoning, yet large language models (LLMs) make systematic coordinate errors when generating three-dimensional block placements. We present a neuro-symbolic pipeline based on 2.5-D decomposition: the LLM plans in the two-dimensional horizontal plane while a deterministic executor computes all vertical placement from column occupancy, eliminating an entire class of errors. On the Build What I Mean benchmark (160 rounds), GPT-4o-mini with this pipeline achieves 94.6\% mean structural accuracy across 12 independent runs, within 3.0 percentage points of the 97.6\% ceiling imposed by architect-agent errors that no builder-side improvement can address. This outperforms both GPT-4o at 90.3\% and the best competing system at 76.3\%. A controlled ablation confirms that 2.5-D decomposition is the dominant contributor, accounting for 50.7 percentage points of accuracy. The pipeline transfers directly to edge hardware: Nemotron-3 120B running locally on an NVIDIA Jetson Thor AGX matches the cloud result at 94.5\% with no prompt modifications. The underlying principle, removing deterministic dimensions from the LLM's output space, applies to any autonomous construction or assembly task where gravity or other physical constraints fix one or more degrees of freedom. A transfer experiment on 500 IGLU collaborative building tasks confirm the effect generalizes beyond the primary benchmark.

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

Phase controlled spectral topology, dynamic stability and sensitivity in Non-Hermitian Cavity Magnonics

作者:
Sachin Singh Bargahi↗Rajeev Singh↗Biswanath Bhoi↗

arXiv:2606.16522v1 Announce Type: new Abstract: We theoretically investigate a non-Hermitian cavity-magnon platform in which coherent photonmagnon interactions and reservoir-mediated dissipative coupling interfere through a single externally tunable phase. We show that this interference phase provides a universal control parameter that continuously rotates the effective coupling between Hermitian and anti-Hermitian regimes, enabling dynamic transitions between level repulsion and level attraction without modifying intrinsic system parameters. The resulting phase-controlled non-Hermitian topology gives rise to exceptional points, linewidth engineering, and zero-damping conditions. Owing to the propagation-direction dependence of the dissipative interaction, the system further exhibits strong nonreciprocal transport and phase-tunable isolation arising from asymmetric hybridization of the cavity and magnon modes. Beyond its spectral and transport properties, we establish a direct connection between nonHermitian spectral topology and nonequilibrium population dynamics. The interference phase governs the stability of the hybrid modes, driving transitions between stable relaxation, critical slowing down near exceptional points, oscillatory energy exchange, and exponentially amplified dynamics. We further demonstrate that the same phase-controlled exceptional topology can be exploited for enhanced sensing, where the eigenvalue response exhibits the characteristic square-root scaling associated with exceptional-point physics. Our results provide a unified framework linking spectral topology, directional transport, dynamical stability, and sensing functionality through reservoirengineered interference in cavity magnonic systems.

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21.
bioRxiv (Bioinfo) 2026-06-22

HTS-Oracle X: AI-Guided Prospective Discovery of Small Molecule Immune Checkpoint Binders

作者:
Abdel-Rahman↗Gabr↗

Targeting immune checkpoint protein-protein interactions (PPIs) using small molecules remains limited by the shallow, featureless binding surfaces of co-stimulatory and co-inhibitory receptors and the characteristically low hit rates of conventional high-throughput screening against these interfaces. Here we report HTS-Oracle X, a multimodal deep learning platform that integrates bidirectional cross-attention fusion of ChemBERTa SMILES embeddings with extended RDKit descriptors, trains on continuous biophysical binding signals rather than binary labels, and employs Monte Carlo Dropout uncertainty quantification for uncertainty-adjusted compound selection. Trained on 45,760 Dianthus TRIC-screened compounds per target under scaffold-aware cross-validation, HTS-Oracle X was applied prospectively to a 100,160-compound Enamine library against CD28, TIM-3, and VISTA. From 150 model-selected compounds, 45 dose-response confirmed binders were identified (30.0% overall hit rate), yielding enrichment factors of 234-408x over experimentally established random prospective baselines and 16 sub-micromolar hits. The top hits, HX-CD28-1 (KD = 233 nM), HX-TIM3-1 (KD = 249 nM), and HX-VISTA-1 (KD = 345 nM), demonstrated on-target functional activity in immune cell and tumor co-culture assays. HTS-Oracle X represents a scalable AI-guided framework for small molecule discovery against non-enzymatic immune checkpoint targets.

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

My Chemical Harness: Evolutionary Molecular Design over Synthetic Pathways with Large Language Model Agents

作者:
C\'esar Ojeda↗Darius A. Faroughy↗Maryam Karimi↗Payam Zarrintaj↗Mir Mehdi Seyedebrahimi↗Mart\'in Carballo-Pacheco↗

arXiv:2606.11256v1 Announce Type: cross Abstract: Designing molecules with target properties is most useful when candidate structures are accompanied by feasible synthetic routes. We introduce My Chemical Harness, a route-native evolutionary framework for goal-directed molecular design in which the search population consists of executable synthetic pathways rather than isolated molecular graphs. Each route is built from purchasable building blocks and reaction templates, executed by deterministic chemistry tools, and scored through task-specific molecular oracles. Large language models (LLMs) are used only as strategy controllers that select high-level preferences over route length, move type, reaction families, motifs, and exploration pressure, while local code performs route construction, validation, deduplication, scoring, selection, and memory updates. This separation lets the LLM guide exploration without allowing it to introduce hallucinated products or unsupported reaction steps. On a soluble epoxide hydrolase proxy task, our LLM agent improves over single pass LLM and deterministic controllers, reaching state-of-the-art performance across the sEH score, synthetic accessibility score, and AiZynthFinder success rate metrics. These results suggest that constrained LLM agents can play a significant role in molecular discovery without requiring training, fine-tuning, or dedicated generative models.

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23.
arXiv (CS.CL) 2026-06-24

Towards Version-aware Operations and Transaction Memories for Multi-layer MeMo

作者:
Peiran Li↗

MeMo proposes language models with explicit multi-layer correlation matrix memories (CMMs), where memorization, retrieval, and forgetting are architectural operations. This paper asks how such memories can reduce the need for retraining when knowledge changes. For changes expressible as MeMo memory associations, the model's accessible knowledge can be updated by editing explicit memories rather than retraining the whole model. We propose a version-aware operation layer in which high-level operations such as replace, obsolete, keep-history, rollback, and trace are compiled into MeMo-native primitive calls over sequences and tokens. The key observation is that a version-aware operation is rarely a single MeMo association. It is an ordered transaction of primitive edits, for example forgetting one sequence-token chain, memorizing another, preserving a historical chain, and recording an inverse program. The framework introduces two auxiliary CMMs: a Version CMM (V-CMM) for mapping version transitions to transaction handles, and a Transaction CMM (T-CMM) for storing reusable change contents and inverse programs. It supports both direct sequence-level edits and structured diff-level inputs, and outlines an evaluation route for update success, rollback, traceability, locality, and transaction reuse.

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

Scale Buys Interpolation, Structure Buys a Horizon: Certified Predictability for Equivariant World Models

作者:
Hongbo Wang↗

arXiv:2606.13092v1 Announce Type: new Abstract: Scale buys interpolation; structure buys a certified horizon. A world model's average error says nothing about whether a particular prediction can be trusted, or for how long. For equivariant latent world models we give a computable, multi-step certificate of the predictable horizon: $T$-step rollout error is provably constant over each symmetry orbit (Theorem A) and stratified channel-by-channel by the predictor's Lyapunov spectrum, $T_j(\epsilon)\sim\log(1/\epsilon)/\lambda_j$. The horizon is two-sided – a matching lower bound makes approximate equivariance provably horizon-limited – and the certificate is exclusive to structure: orbit-constant error characterizes equivariance, so no non-equivariant model has it at any scale. Empirically, on 40-D Lorenz-96 only a $\mathbb{Z}_N$-equivariant network recovers the full Lyapunov spectrum ($R^2{=}0.98$); dense and recurrent baselines fail. Because the spectrum is faithful, the certificate acts, a priori: under a fixed sensing budget a $c\times$-inflated certificate provably needs $c\times$ the budget, and the equivariant certificate meets a budget its inflated dense counterpart cannot – with zero calibration data. The same read-out, unchanged, audits public pretrained world models training-free: TD-MPC2 checkpoints land on the certificate's own scope taxonomy – calibrated where strongly expansive (ratio 0.94-1.02), optimistic where weakly expansive, correctly abstaining where contracting – a map a deployed monitor replicates cell-by-cell, out-of-sample. Across the official 1M-317M multitask ladder, calibration does not improve with parameters. On V-JEPA 2-AC (1B, real robot data) the measured cross-check correctly overrides an over-promising tangent spectrum – the cross-validated audit, not the raw number, is the deployable object. Scale buys interpolation, not a calibrated horizon.

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