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01.
arXiv (CS.CV) 2026-06-24

MapReason-OSM: Can Vision-Language Models Make Graph-Verifiable Mobility Decisions from Street Maps ?

Vision-language models (VLMs) are increasingly used to read maps for logistics, delivery, and accessible navigation, where the output is an actionable decision (a route, a pin, a parking choice) that must respect the road network. Yet most map benchmarks grade free text or multiple-choice answers that cannot be verified against the underlying graph. We present MapReason-OSM, a benchmark and evaluation harness for graph-verifiable mobility decisions on self-rendered OpenStreetMap panels. We render fixed-style maps for ten U.S. downtowns at two aligned zoom scales, overlay a consistent marker grammar, and pair each panel with a hidden street graph and exact oracles, yielding 6,000 instances (12,000 panels across the two zooms) over 12 routing, facility-location, and visual disambiguation tasks. Models return structured decisions that we snap back to the graph and score for validity, legality, optimality, and constraint satisfaction, plus cross-zoom consistency. Across seven VLMs, models read maps and route simply but fail at graph cost reasoning (single-facility pin placement is near chance even for frontier reasoning models), and are frequently scale-inconsistent. We release the benchmark, harness, and deterministic generator. Code and data: https://github.com/Vi-Sri/mapreason-osm

02.
arXiv (quant-ph) 2026-06-16

Spectrally Corrected Polynomial Approximation for Quantum Singular Value Transformation

arXiv:2603.03998v2 Announce Type: replace Abstract: Quantum Singular Value Transformation (QSVT) provides a unified framework for applying polynomial functions to the singular values of a block-encoded matrix. QSVT prepares a state proportional to $\bA^{-1}\bb$ with circuit depth $O(d\cdot\mathrm{polylog}(N))$, where $d$ is the polynomial degree of the $1/x$ approximation and $N$ is the size of $\bA$. Current polynomial approximation methods are over the continuous interval $[a,1]$, giving $d = O(\sqrt{\kap}\log(1/\varepsilon))$, and make no use of any properties of $\bA$. We observe here that QSVT solution accuracy depends only on the polynomial accuracy at the eigenvalues of $\bA$. When all $N$ eigenvalues are known exactly, a pure spectral polynomial $p_{S}$ can interpolate $1/x$ at these eigenvalues and achieve unit fidelity at reduced degree. But its practical applicability is limited. To address this, we propose a spectral correction that exploits prior knowledge of $K$ eigenvalues of $\bA$. Given any base polynomial $p_0$, such as Remez, of degree $d_0$, a $K\times K$ linear system enforces exact interpolation of $1/x$ only at these $K$ eigenvalues without increasing $d_0$. The spectrally corrected polynomial $p_{SC}$ preserves the continuous error profile between eigenvalues and inherits the parity of $p_0$. QSVT experiments on the 1D Poisson equation demonstrate up to a $5\times$ reduction in circuit depth relative to the base polynomial, at unit fidelity and improved compliance error. The correction is agnostic to the choice of base polynomial and robust to eigenvalue perturbations up to $10\%$ relative error. Extension to the 2D Poisson equation suggests that correcting a small fraction of the spectrum may suffice to achieve fidelity above $0.999$.

03.
arXiv (CS.CV) 2026-06-17

DRIVESPATIAL: A Benchmark for Spatiotemporal Intelligence in VLMs for Autonomous Driving

Spatiotemporal intelligence in autonomous driving (AD) requires an agent to integrate multi-view observations into a coherent scene representation, maintain object continuity across viewpoints and time, and reason about spatial relations, interactions, and future dynamics. However, existing AD vision-language benchmarks largely focus on single-view, static, ego-centric, or single-source question answering, leaving it unclear whether current Vision-Language Models (VLMs) can truly construct and reason over dynamic driving scenes. We introduce DriveSpatial, a benchmark of 15.6K human-verified QA pairs across 20 tasks from five large-scale AD datasets. DriveSpatial evaluates four abilities: Cognitive Scene Construction, Multi-view Relational Understanding, Temporal Reasoning, and Generalization. Unlike prior benchmarks, DriveSpatial is generated from a dynamic multi-relational scene graph that encodes object states, spatial relations, interactions, camera visibility, and temporal correspondences, enabling QA pairs that enforce genuine cross-view and spatiotemporal reasoning. Evaluating 15 representative VLMs reveals a substantial human-model gap: the strongest model trails humans by 28.4 points, with Cognitive Scene Construction emerging as the key bottleneck. Further diagnostics show that language-only prompting is insufficient, while explicit BEV grounding consistently improves performance. These results suggest that current VLMs lack the scene-construction ability needed for reliable spatiotemporal driving intelligence. DriveSpatial and its construction pipeline will be released to support future research.

04.
arXiv (CS.AI) 2026-06-11

From Uniform to Learned Graph Priors: Diffusion for Structure Discovery

arXiv:2606.11831v1 Announce Type: cross Abstract: Neural relational inference (NRI) methods discover interaction graphs from trajectories through variational reasoning on discrete potential edges. However, these methods typically rely on oversimplified, factorized graph priors. Such priors, typically nearing uniform distributions, treat edges as independent entities. This systemic misalignment does not match the real-world systems and yields diffuse and indecisive edge posteriors limiting the reliability of structural discovery. To address this, we propose Diff-prior, a diffusion-parameterized adaptive prior used to calibrate latent graph distribution rather than generate graphs. Our core insight is to reframe prior integration as a learnable denoising-style calibration that organizes scattered, uncertain edge posteriors into a more reliable overall structure which can be trained by the diffusion model. Diff-prior learns an adaptive structure prior that performs structured calibration on the edge posteriors during inference, guiding it towards a distribution closer to the underlying structure. The diff-prior operates before structural sampling and acts as a denoising calibrator directly on the encoder edge distribution, which provides a generic training paradigm over structured variables. Experiments on standard benchmarks validated our framework, and the results indicate that Diff-prior improves the performance of structure inference and generates more decisive edge posteriors across multiple NRI-family architectures. The code is available on https://github.com/Hardy158118/Diffprior.

05.
arXiv (quant-ph) 2026-06-11

Fundamental Limitations of QAOA on Constrained Problems and a Route to Exponential Enhancement

arXiv:2511.17259v4 Announce Type: replace Abstract: We study fundamental limitations of the generic Quantum Approximate Optimization Algorithm (QAOA) on constrained problems where valid solutions form a low dimensional manifold inside the Boolean hypercube, and we present a provable route to exponential improvements via constraint embedding. Focusing on permutation constrained objectives, we show that the standard generic QAOA ansatz, with a transverse field mixer and diagonal r local cost, faces an intrinsic feasibility bottleneck: even after angle optimization, circuits whose depth grows at most sublinearly with n cannot raise the total probability mass on the feasible manifold much above the uniform baseline suppressed by the size of the full Hilber space. Against this envelope we introduce a minimal constraint enhanced kernel (CE QAOA) that operates directly inside a product one hot subspace and mixes with a block local XY Hamiltonian. For permutation constrained problems, we prove an angle robust, depth matched exponential enhancement where the ratio between the feasible mass from CE QAOA and generic QAOA grows exponentially in $n^2$ for all depths up to a linear fraction of n, under a mild polynomial growth condition on the interaction hypergraph. Thanks to the problem algorithm co design in the kernel construction, the techniques and guarantees extend beyond permutations to a broad class of NP-Hard constrained optimization problems.

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

Self-Distillation Zero: Self-Revision Turns Binary Rewards into Dense Supervision

Current post-training methods in verifiable settings fall into two categories. Reinforcement learning (RLVR) relies on binary rewards, which are broadly applicable and powerful, but provide only sparse supervision during training. Distillation provides dense token-level supervision, typically obtained from an external teacher or using high-quality demonstrations. Collecting such supervision can be costly or unavailable. We propose Self-Distillation Zero (SD-Zero), a method that is substantially more training sample-efficient than RL and does not require an external teacher or high-quality demonstrations. SD-Zero trains a single model to play two roles: a Generator, which produces an initial response, and a Reviser, which conditions on that response and its binary reward to produce an improved response. We then perform on-policy self-distillation to distill the reviser into the generator, using the reviser's token distributions conditioned on the generator's response and its reward as supervision. In effect, SD-Zero trains the model to transform binary rewards into dense token-level self-supervision. On math and code reasoning benchmarks with Qwen3-4B-Instruct and Olmo-3-7B-Instruct, SD-Zero improves performance by at least 10% over the base models and outperforms strong baselines, including Rejection Fine-Tuning (RFT), GRPO, and Self-Distillation Fine-Tuning (SDFT), under the same question set and training sample budget. Extensive ablation studies show two novel characteristics of our proposed algorithm: (a) token-level self-localization, where the reviser can identify the key tokens that need to be revised in the generator's response based on reward, and (b) iterative self-evolution, where the improving ability to revise answers can be distilled back into generation performance with regular teacher synchronization. Code: https://github.com/princeton-pli/Self-Distillation-Zero.

07.
arXiv (math.PR) 2026-06-16

The Backward Stochastic Partial Differential Integral Equations: Solvability and Comparison Principle

arXiv:2606.16237v1 Announce Type: new Abstract: The paper is concerned with the well-posedness of backward stochastic partial differential equations with jumps, also called backward stochastic partial differential integral equations. We start from the proof for the existence and uniqueness of solution to backward stochastic evolution equation with jump in the Gelfand triple framework. Then the well-posedness of both weak solution and strong solution to backward stochastic partial differential integral equation is obtained with the Gelfand triple replaced by specific Sobolev spaces. Finally, the comparison principle for backward stochastic partial differential integral equation is proved, which has potential applications in financial mathematics.

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

Precision-Aware Illumination-Disentangled Vision Transformer for Spacecraft 6D Pose Estimation

Vision sensors provide a lightweight solution for spacecraft proximity operations, but monocular spacecraft 6D pose estimation remains difficult under illumination variation, specular reflection, shadowing, weak texture, and background interference. These factors make local visual evidence spatially unreliable and can destabilize pose regression. This article proposes a Precision-Aware Illumination-Disentangled Vision Transformer (PAID-ViT) for robust spacecraft pose estimation.The proposed model separates pose-relevant structure tokens from illumination-sensitive appearance tokens, estimates patch reliability before pose aggregation, and uses foreground mask supervision to preserve silhouette cues. A parameter-free geometric recovery module converts normalized crop coordinates, log-depth, and a continuous 6D rotation representation into camera-frame rotation and translation. Experiments on SPEED+ V2, the SPEED+ validation/lightbox/sunlamp evaluation configuration used in this study, suggest that PAID-ViT reduces translation error and improves robustness in the challenging sunlamp domain, while ablation studies support the complementary roles of illumination disentanglement, reliability-aware token aggregation, mask supervision, and training-side regularization.

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

Face versus Body Tracking for Human-Robot Interaction: An Egocentric Dataset

Meaningful human-robot interaction (HRI) requires a robot to continuously assess user engagement through persistent user tracking. However, state-of-the-art Multi-Object Tracking models are heavily optimized for surveillance or autonomous driving. A social robot faces distinct egocentric challenges, such as humans moving in unpredictable nonlinear patterns, obstructing each other, or leaving and reentering the scene. These dynamics trigger frequent identity switches (IDSW), causing the robot to lose its footing mid-conversation. To address this, we introduce a focused, custom-annotated egocentric dataset collected via the Furhat robot. We present a systematic evaluation isolating detection errors from tracking logic, comparing face versus body tracking, and assessing the impact of extended memory and appearance re-identification (ReID). Results indicate that increasing temporal memory mitigates prolonged occlusions but fails on complex dynamic events. Integrating ReID resolves complex switches but exhibits opposing effects: it substantially improves body tracking stability, yet causes facial IDSW to spike due to profile angle sensitivity. Ultimately, our optimized pipeline reduces IDSW by 49% compared to a standard tracking-by-detection baseline, effectively mitigating interaction breakdowns. As standard benchmarks lack dense, close-quarter occlusions, this work highlights the critical need for natively captured social dynamics to truly validate HRI perception models.

10.
medRxiv (Medicine) 2026-06-24

TCIA Radiology Image Processing for AI and Radiomics

We developed a standardized, reproducible preprocessing framework for computed tomography (CT) imaging data from multi-institutional repositories such The Cancer Imaging Archive (TCIA), enabling consistent radiomics and artificial intelligence (AI) analyses. Imaging data from TCGA-KIRC patients available on TCIA were used as a representative heterogeneous dataset characterized by variation in acquisition protocols, inconsistent metadata, and differing image quality. The proposed modular pipeline includes series filtering, DICOM-to-NIfTI conversion, orientation harmonization to a canonical coordinate system, voxel spacing normalization, intensity clipping and normalization, segmentation integration, and metadata validation, and is implemented in a reproducible, notebook-based framework compatible with common radiomics and deep learning workflows. This pipeline standardizes imaging data into analysis-ready volumes with consistent geometry, intensity distributions, and spatial alignment, reducing non-biological variability that can adversely affect radiomic feature stability and model performance. The modular design enables task-specific adaptation of individual preprocessing steps while maintaining overall consistency. Although demonstrated on TCIA, this framework is generalizable to other heterogeneous imaging datasets and provides a foundation for robust, large-scale computational imaging studies.

11.
arXiv (CS.LG) 2026-06-12

Enhanced Low-Density Region Exploration in Classifier-Guided Diffusion Models Through Modified Reverse Diffusion Sampling

arXiv:2606.13347v1 Announce Type: new Abstract: Diffusion models have emerged as state-of-the-art generative models for high-fidelity image synthesis, particularly in their classifier-free guided and classifier-guided forms. However, standard classifier guidance concentrates probability mass around high-density class mean, leading to poor coverage of rare samples in the tails of the class-conditional distributions. Recent work on diffusion-based tail sampling mitigates this by training an additional low-density-seeking classifier with a synthetic-vs-real discriminator, at the cost of additional networks and training. In parallel, a number of samplers and distillation techniques accelerate or refine diffusion sampling, but do not explicitly address long-tail coverage. We propose a purely sampling-time, density-aware extension of classifier-guided conditional diffusion model that targets low-density regions without any additional training. We have applied guidance at noisy images not on predicted noise like most diffusion models. Starting from a pretrained conditional diffusion model and classifier on ImageNet, we modify the guided reverse dynamics by steering trajectories toward low-confidence regions via the modified classifier gradient, and at each time step, we also guide the sampling process toward the predicted real image. 1st guidance helps explore low-probability samples, and 2nd guidance helps to generate samples to be close to the real data manifold. The proposed sampler consistently improves ADM model recall at 64x64 resolution while maintaining a comparable FID, and with a 256x256 ADM model, we showed the results visually with different combinations of both guidance. We also showed that standard ADM classifier guidance, combined with predicted real image guidance, helps generate high perceptual quality samples with a 256x256 ADM model on ImageNet.

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

Why Sampling Is Not Choosing: Intentionality, Agency, and Moral Responsibility in Large Language Models

Recent advances in large language models (LLMs) have prompted claims that such systems exhibit agency or qualify as moral agents. This paper argues that these attributions are misguided. We maintain that moral responsibility requires commitment-bearing agency grounded in intrinsic intentionality and self-attributed action, and that such agency constitutes the form of free will relevant to responsibility. Although LLMs generate coherent and normatively evaluable outputs, their operation is fully characterized by probabilistic input-output mappings learned from data. Their apparent intentionality is derived rather than intrinsic, and their outputs are neither owned as commitments nor guided by reasons. Variability introduced by stochastic sampling does not amount to choice or authorship. We address objections from the intentional stance, functionalism, compatibilism, and the presence of moral reasoning in model outputs, arguing that none suffice to establish genuine agency.

13.
arXiv (quant-ph) 2026-06-16

Charging Quantum Batteries with Chiral Squeezing

arXiv:2606.16764v1 Announce Type: new Abstract: We propose a quantum-battery charger based on a driven bosonic Kitaev chain (BKC), where chiral squeezing converts passive input fluctuations into ordered, non-passive battery states. While a coherent input pulse exhibits phase-sensitive chiral transport, the charging dynamics is dominated by bidirectionally propagating fluctuations that are amplified and squeezed into orthogonal quadratures at opposite chain ends. In contrast to conventional phase-preserving amplifiers, our scheme stores largely extractable energy and achieves a work-like signal-to-noise ratio (SNR) near unity, even in the presence of thermal noise and moderate symmetry-preserving disorder.

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

Learning to Emulate Chaos: Adversarial Optimal Transport Regularization

arXiv:2604.21097v2 Announce Type: replace-cross Abstract: Chaos arises in many complex dynamical systems, from weather to power grids, but is difficult to accurately model with data-driven methods such as machine learning emulators. While emulators are promising tools for accelerating simulations and solving inverse problems, they still struggle to learn chaotic dynamics, where sensitivity to initial conditions renders exact long-term forecasts infeasible, especially given noisy data. Recent work instead trains emulators to match the statistical properties of chaotic attractors, but these approaches often rely on handcrafted summary statistics or large, diverse multi-environment datasets. In this work, we propose a family of adversarial optimal transport objectives that can jointly learn high-quality summary statistics and a physically consistent emulator from a single noisy trajectory. We theoretically analyze and experimentally validate a Sinkhorn divergence formulation (2-Wasserstein) and a WGAN-style dual formulation (1-Wasserstein) of our approach. Numerical experiments across a variety of chaotic systems, including ones with high-dimensional spatiotemporal chaos, show that emulators trained using our proposed objectives have significantly improved long-term statistical fidelity.

15.
arXiv (CS.CV) 2026-06-11

VLGA: Vision-Language-Geometry-Action Models for Autonomous Driving

Vision-language-action (VLA) models can describe scenes and reason about them in language, yet still struggle to ground their actions in the dense 3D world around them. Existing approaches either inject features from a frozen 3D foundation model without an objective that ensures the policy uses them, or constrain geometry with sparse box and map losses that provide no dense spatial signal. We introduce VLGA, the first vision-language-action model supervised to reconstruct the dense 3D world it drives through. VLGA introduces geometry as a fourth modality alongside vision, language, and action through a dedicated expert supervised by a per-pixel pointmap regression loss against LiDAR. Extensive experiments conducted on challenging nuScenes and Bench2Drive datasets for open-loop and closed-loop evaluations, respectively, show the superiority of VLGA over counterpart VLA methods. In particular, on open-loop nuScenes, VLGA sets a new state of the art among VLA methods without ego status, with the lowest L2 (0.50\,m average) and 3-second collision rate (0.18\%). On closed-loop Bench2Drive, VLGA attains the state-of-the-art driving score of 79.08, +0.71 over the strongest prior VLA, at comparable efficiency and comfort.

16.
Science (Express) 2026-05-07

TranscriptFormer: A generative cell atlas across 1.5 billion years of evolution | Science

作者: 未知作者

Single-cell transcriptomics is revolutionizing our understanding of cellular diversity, yet comparing transcriptional programs across the tree of life remains challenging. We developed TranscriptFormer, a family of generative foundation models trained on up to 112 million cells spanning 1.53 billion years of evolution across 12 species. We demonstrate state-of-the-art performance on cell type classification, even for species separated over 685 million years of evolution, and zero-shot disease state identification in human cells. Developmental trajectories, phylogenetic relationships and cellular hierarchies emerge naturally in TranscriptFormer’s representations without any explicit training on these annotations. This work establishes a powerful framework for quantitative single-cell analysis and comparative cellular biology, thus demonstrating that universal principles of cellular organization can be learned and predicted across the tree of life.

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

A Conservation Law for Equilibrium Propagation and Coupled Learning

arXiv:2606.15444v1 Announce Type: cross Abstract: In this paper we show that the physical learning methods known as coupled learning (CL) and equilibrium propagation (EP) conserve a mass-like quantity in the trainable parameters in the continuous-time, small-nudging limit. We prove that this conservation holds in a broad range of physically relevant settings. We then show that the conservation law constrains the training dynamics in a way that makes convergence reliable in important settings for linear circuits. We conclude by discussing some practical implications of this conservation law.

18.
arXiv (quant-ph) 2026-06-15

New Identity for Cayley's First Hyperdeterminant with Applications to Symmetric Tensors and Entanglement

作者:

arXiv:2512.03093v3 Announce Type: replace Abstract: In this article, a new formula for computing Cayley's first hyperdeterminant in terms of the Levi-Civita symbol is given. It is then shown that this formula can be used to compute the hyperdeterminant of symmetric tensors in polynomial time with respect to their order (assuming fixed side length). Applications to quantifying the entanglement of states of bosonic quantum systems are then discussed. Additionally, in order to obtain the fast calculation of the hyperdeterminant on symmetric tensors, generalized elimination and duplication matrices are defined and their explicit formulas are derived.

19.
arXiv (quant-ph) 2026-06-24

A no-go theorem for privacy in distributed sensing using Gaussian states

arXiv:2606.23796v1 Announce Type: new Abstract: In the discrete variable setting, entangled resource states allow a set of parties to learn a global function of a set of spatially separated systems, whilst keeping the local parameters of those systems completely private. In the continuous variable setting, distributed sensing has been carried out using Gaussian resource states, but without the same guarantees about privacy. Here, we show that perfect privacy is impossible to achieve for any distributed sensing protocol that uses Gaussian states as a resource. We also introduce a measure of relative privacy, bounding the degree to which any Gaussian distributed sensing protocol can keep local parameters hidden.

20.
arXiv (CS.AI) 2026-06-24

A Benchmark for Hallucination Detection in VLMs for Gastrointestinal Endoscopy

arXiv:2606.24115v1 Announce Type: cross Abstract: Vision-language models (VLMs) are prone to hallucination, which remains a major barrier to their safe deployment in clinical practice. To date, most hallucination detection methods have been evaluated on radiology benchmarks such as MIMIC-CXR and VQA-RAD, while gastrointestinal (GI) endoscopy remains largely underexplored. In this paper, we benchmark nine hallucination detection methods on the Gut-VLM dataset, a GI diagnostic Visual Question Answering (VQA) dataset with 4,392 test VQA pairs, across five VLMs (MedGemma-4B, MedGemma-27B, LLaVA-Med-7B, LLaVA-v1.6-7B, and Lingshu-32B). The methods span three categories: black-box methods (RadFlag, SelfCheckGPT-NLI), gray-box methods (AvgProb, AvgEnt, MaxProb, MaxEnt, Semantic Entropy, and VASE), and a white-box method (ReXTrust). Our results show that ReXTrust, a white-box method, achieves the highest AUC across all five models, outperforming the strongest alternative method on each VLM by a statistically significant margin (paired permutation test, p < 0.001 in all cases), reaching a peak AUC of 93.0 on MedGemma-4B. White-box hidden-state access provides a consistent advantage of 19.5 AUC points on average (range: 9.5–33.5), with ReXTrust maintaining strong performance even on LLaVA-v1.6-7B (AUC 79.9), where black-box methods and clustering-based gray-box methods collapse to near-chance performance. Among non-white-box methods, token-level gray-box statistics (MaxEnt, MaxProb) are the strongest alternatives, outperforming both clustering-based gray-box methods (Semantic Entropy, VASE) and black-box approaches on average. We further identify confident confabulation, a failure mode in which models hallucinate with high inter-sample consistency or high token-level probability, as a systemic failure for both consistency and uncertainty-based methods.

21.
arXiv (CS.AI) 2026-06-12

Agentic Large Language Models for Automated Structural Analysis of 3D Frame Systems

arXiv:2606.06525v2 Announce Type: replace-cross Abstract: Large language models (LLMs) have emerged as powerful foundation models with strong reasoning capabilities across domains. Beyond reactive text generation, agentic LLMs enable autonomous workflow execution through modular task decomposition and coordinated tool use. In structural engineering, recent efforts have developed agentic LLMs for automated analysis of plane frames. However, their extension to 3D frames remains underexplored due to challenges in irregular geometric representation, topological consistency, and long-horizon reasoning. This paper proposes an agentic LLM framework for automated structural analysis of 3D frames from natural language inputs. Irregular 3D frames are represented by projection onto a 2D plan, where orthogonal gridlines define spatial coordinates and a matrix of number of stories encodes vertical extrusion of each grid cell. Building on this representation, the framework establishes a multi-agent pipeline: a problem analysis agent parses input into structured JSON; a floor decomposition agent derives the spatial layout of each floor; the 3D geometry is assembled by node, girder, slab, and column agents; support and load agents assign boundary and loading conditions, and code translation agents generate executable SAP2000 script. Evaluated on ten representative 3D frames, the proposed framework achieves an average accuracy of 90% across repeated trials, demonstrating consistent and reliable performance.

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

AdsMind: A Physics-Grounded Multi-Agent System for Self-Correcting Discovery of Adsorption Configurations on Heterogeneous Catalyst Surfaces

arXiv:2606.19152v1 Announce Type: cross Abstract: Identifying the lowest-energy surface-adsorbate configuration is critical for modeling heterogeneous catalysis, yet exhaustive exploration with ab initio calculations is computationally prohibitive. Machine-learning force fields (MLFFs) accelerate structural relaxation but leave the search over the vast configurational space a major bottleneck, and open-loop large language model (LLM) agents lack a physics-grounded feedback mechanism to correct erroneous initial guesses. We propose AdsMind (Adsorption configuration discovery with Machine intelligence and relaxation feedback), a closed-loop multi-agent framework that enables autonomous error correction through MLFF relaxation feedback. Across four LLM backends, AdsMind achieves consistently high search reliability, with success rates of 100% and 98.8% on the benchmarks AA20 and OCD-GMAE62. Relative to its single-pass (1-Shot) ablation it reduces cross-backend energy dispersion, and it uses only 4.11 and 4.67 MLFF relaxations per case, respectively – an approximately 14-fold reduction over heuristic enumeration baselines. Density functional theory (DFT) validation using VASP/PBE on six representative AA20 systems shows that the reported open-loop Adsorb-Agent outputs exhibit qualitative adsorption-energy sign errors for molecular adsorbates, whereas AdsMind preserves the correct sign in all tested cases with closer quantitative agreement. AdsMind thus delivers reliability, self-reflection, and interpretability simultaneously, supporting more DFT-informed autonomous chemistry workflows.

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

Latent Space Reinforcement Learning for Inverse Material Estimation in Food Fracture Simulation

Realistic visual simulation of food manipulation requires accurate material parameters, yet these are difficult to measure directly and vary across the heterogeneous regions of a single food item. We address the inverse problem of estimating material parameters from a target description of fracture behavior in a non-differentiable continuum damage mechanics simulator. Using orange peeling as a test case, we train a neural surrogate on 2,000 forward simulations and compare Covariance Matrix Adaptation Evolution Strategy (CMA-ES, a gradient-free evolutionary optimizer) with Proximal Policy Optimization (PPO, a reinforcement learning algorithm) across the original 9-dimensional parameter space and two learned 4-dimensional latent representations. Since different oranges have different material properties, a practical inverse system must handle arbitrary targets without retraining. We train a goal-conditioned PPO policy that learns a general inverse mapping: given any target description of peeling behavior, the policy produces a material parameter estimate in a single forward pass (8 surrogate evaluations, approximately 10ms). Operating in a normalizing flow latent space with a shared surrogate evaluator, the goal-conditioned policy achieves 0.642 actual recovery when validated through the simulator, outperforming the original parameter space by 23%. A warm-start extension that initializes CMA-ES refinement from the policy's output further improves recovery to 0.828 with 540 evaluations. These findings provide a practical framework for inverse food physics and lay groundwork for vision-driven material identification from video observations of food manipulation.

24.
arXiv (quant-ph) 2026-06-15

Note on the local calculation of decoherence of quantum superposition in the static black holes

arXiv:2606.14178v1 Announce Type: cross Abstract: We investigate the decoherence of a quantum spatial superposition of a static particle in Schwarzschild and Reissner-Nordstr\"{o}m black holes. By treating the particle as a localized classical source coupled to a quantum scalar field, we reformulate the decoherence process in the Danielson-Satishchandran-Wald (DSW) gedankenexperiment through coherent state generation and derive the local expression for the decoherence functional in terms of the Wightman function. In the long-time limit, the decoherence rate is shown to be characterized by the low-frequency behavior of the Wightman function. We then employ the asymptotic matching method to calculate the analytical expressions of the Wightman functions in the Boulware, Unruh, and Hartle-Hawking vacua. We show that the decoherence behavior depends on the quantum state of the environmental field. While the Boulware vacuum gives vanishing decoherence for a static superposition, the thermal effects associated with Hawking radiation in the Unruh and Hartle-Hawking vacua can induce nonvanishing decoherence.

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

Supervised Reinforcement Learning for the Coordination of Distributed Energy Resources

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.