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

Time-Series Foundation Model Embeddings for Remaining Useful Life Estimation

arXiv:2606.11990v1 Announce Type: cross Abstract: Remaining Useful Life (RUL) prediction is essential for industrial predictive maintenance, yet many learning-based approaches rely on extensive feature engineering or large labeled datasets to train task-specific sequence models. In this work, we introduce a lightweight learning approach, in which we leverage a frozen pretrained time-series foundation model (TSFM) and combine it with a small regression head for RUL estimation from multivariate sensor streams. More specifically, we use Chronos-2 as a frozen backbone to extract context window features and train a lightweight regression neural network for RUL prediction. Experiments on real-world industrial sensor data from two device types show that Chronos-2 features consistently improve over recurrent, convolutional, Transformer-based, and gradient-boosting baselines under the same preprocessing and evaluation protocol. We further analyze the impact of context length and find that performance improves significantly with longer histories, indicating that TSFM representation offer a practical and data-efficient alternative for RUL estimation in industrial settings.

02.
arXiv (quant-ph) 2026-06-25

Layer codes as partially self-correcting quantum memories

arXiv:2510.06659v2 Announce Type: replace Abstract: We investigate layer codes, a family of three-dimensional stabilizer codes that can achieve optimal scaling of code parameters and a polynomial energy barrier, as candidates for self-correcting quantum memories. First, we introduce two decoding algorithms for layer codes with provable guarantees for local stochastic and adversarial noise, respectively. We then prove that layer codes constitute partially self-correcting quantum memories which outperform previously analyzed models such as the cubic code and the welded solid code. Notably, we argue that partial self-correction without the requirement of efficient decoding is more common than expected, as it arises solely from a diverging energy barrier. This draws a sharp distinction between partially self-correcting systems and partially self-correcting memories. Another novel aspect of our work is an analysis of layer codes constructed from random Calderbank-Shor-Steane codes. We show that these random layer codes have optimal scaling (up to logarithmic corrections) of code parameters and a polynomial energy barrier. Finally, we present numerical studies of their memory times and report behavior consistent with partial self-correction.

04.
arXiv (CS.AI) 2026-06-17

EvolveNav: Proactive Preflection and Self-Evolving Memory for Zero-Shot Object Goal Navigation

arXiv:2606.18235v1 Announce Type: new Abstract: Zero-Shot Object-Goal Navigation (ZS-OGN) requires embodied agents to explore and locate target objects without any prior training. To this end, recent methods leverage foundation models. But they typically rely on static priors and lack adaptation, which leads to repeated errors and costly trial and error. In this paper, we propose a self-evolving ZS-OGN framework that enables continuous test-time improvement. Specifically, we build an agentic rule memory by extracting actionable knowledge from past trajectories. Then, we propose a retrieval strategy based on upper confidence bound, selecting effective rules by balancing semantic relevance and historical success. In addition, we introduce a memory-guided preflection module that forecasts potential outcomes before action, reducing inefficient exploration. Extensive experiments show that our method outperforms existing zero-shot baselines, achieving a 10.1\% improvement in success rate with fewer unnecessary steps.

05.
arXiv (CS.LG) 2026-06-24

The Cost Geometry of Belief: finite-resource inference under noisy observation

arXiv:2606.21585v2 Announce Type: replace Abstract: A finite machine's digital twin of a system observes the territory through finite, noisy sensors; we model its coherent output as a belief, a probability density over states, the Bayes posterior, never a point. Certainty, the perfect twin, is denied twice, by observation and by physics, both read off the Fisher information. To make this finiteness geometric, we model what it costs to change a belief: a belief-cost geometry, optimal transport in Wasserstein space reweighted conformally by Fisher information. The framework rests on two posed commitments: that revision cost is a scalar price on transport (the arena), and that the price is honest: one nat costs the same length everywhere. Honesty selects the Fisher reweighting because transport demotes the Fisher information from the metric ruler of distinguishability to the slope of entropy, the move that sets transport apart from Fisher-Rao. From these two postulates, three results follow on the conformal class (essentially location-scale), all invariants of one change of cost unit. A wall: a well-posed inference rejects certainty to infinite distance as soon as the cost dominates the Fisher information (necessity conjectured beyond power laws). An honest family: the eikonal price where each nat the same length everywhere, is equivalent to proportionality U=cJ, the Fisher family. A rigidity: these geometries are hyperbolic, and the Stam bound crowns the Gaussian, the most hyperbolic location-scale belief; -1/4 is one image of a relativity of cost. The cost of reaching a given precision then has a geometric cost floor diverging at certainty. Thermodynamics fixes the cost unit and motivates the framework; the results are geometric, in nats.

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

A Reproducible Log-Driven AutoML Framework for Interpretable Pipeline Optimization in Healthcare Risk Prediction

arXiv:2605.21528v2 Announce Type: replace-cross Abstract: Accurate disease risk prediction is challenged by heterogeneous features, limited data, and class imbalance. This study presents yvsoucom-iterkit, a deterministic AutoML framework that models pipeline optimization as a configuration-level system with full reproducibility and traceable execution logs, enabling systematic analysis of component attribution, interactions, similarity, and cross-seed robustness. Experiments on the Pima Indians Diabetes and Stroke datasets across more than 18,000 pipeline configurations reveal a structured yet partially redundant search space, where performance is dominated by a small subset of interacting components. Ensemble models achieve stable performance, reaching a Weighted-F1 of 0.89 on Pima and 0.94 on Stroke. Macro-F1 reaches approximately 0.88 on Pima but drops to 0.6560 on Stroke due to severe imbalance. Cross-seed experiments show that ensembles reduce variance compared to single models. Friedman testing ($p < 0.05$) confirms significant ranking differences across configurations. Based on analysis of component attribution, interaction, and similarity, optimal configuration design reveals dataset-dependent behavior. For the Pima dataset, computational efficiency benefits from simplified search spaces where redundant components can be removed, with split ratio playing a key role. In contrast, the Stroke dataset requires enhanced imbalance-aware strategies, where RandomOverSampler improves Macro-F1 from 0.6560 to 0.6766. These findings demonstrate that effective AutoML optimization is achieved through optimal configuration design, where carefully constraining the search space to high-impact components can improve performance, stability, and interpretability while reducing unnecessary search complexity.

07.
arXiv (CS.CL) 2026-06-24

Are We Ready For An Agent-Native Memory System?

Memory for large language model (LLM) agents has rapidly evolved from simple retrieval-augmented mechanisms into a data management system that supports persistent information storage, retrieval, update, consolidation, and dynamic lifecycle governance throughout agent execution. Despite this evolution, existing evaluations still benchmark agent memory mainly through end-to-end task success metrics (e.g., F1, BLEU), while treating the underlying system as a monolithic black box. As a result, critical system-level concerns, including operational costs, architectural trade-offs across memory modules, and robustness under dynamic knowledge updates, remain insufficiently explored. In this paper, we present a systematic experimental study of agent memory from a data management perspective. We propose an analytical framework that decomposes agent memory into four core modules: memory representation and storage, extraction, retrieval and routing, and maintenance. Under this framework, we evaluate 12 representative memory systems and two reference baselines across five benchmark workloads spanning 11 datasets. Our extensive end-to-end evaluation shows that no single architecture dominates across all scenarios; instead, effectiveness depends heavily on how well the memory structure aligns with the workload bottleneck. Furthermore, through fine-grained ablation studies, we quantify their individual effects on representation fidelity, retrieval precision, update correctness, and long-horizon stability. Finally, we reveal cost-performance trade-offs under realistic workloads, showing localized maintenance is more cost-efficient than global reorganization. Based on these findings, we identify promising directions towards building truly agent-native memory systems. The code is publicly available at https://github.com/OpenDataBox/MemoryData.

08.
arXiv (quant-ph) 2026-06-17

Response kinetic uncertainty relation for Markovian open quantum systems

arXiv:2501.04895v2 Announce Type: replace Abstract: Response uncertainty relations in stochastic thermodynamics extend precision bounds to the sensitivity of observables under external perturbations. Here we derive a quantum response kinetic uncertainty relation for continuously monitored Markovian open quantum systems in the steady state of the Lindblad master equation. The response precision of a measured trajectory observable is bounded by two contributions: the conventional quantum dynamical activity and a perturbation-induced intersubspace transition term. The latter is absent in the classical limit and captures a genuinely quantum part of the response cost. We identify simple conditions under which either contribution vanishes, and we further clarify the structure of the intersubspace term through a symmetry-resolved decomposition and exact sector-selection rules. The bound and its structure are illustrated in a driven two-level atom.

09.
arXiv (quant-ph) 2026-06-16

Conditions for Unitarity in Timeless Quantum Theory

arXiv:2504.01579v3 Announce Type: replace Abstract: Quantum timeless approaches solve the problem of time by recovering the usual unitary evolution of quantum theory relative to a clock in a stationary quantum Universe. For some Hamiltonians of the Universe, such as those including an interaction term with the clock, the dynamics is substantially altered and can be non-unitary. This work derives necessary and sufficient conditions for the relative dynamics to be unitary and finds the general form of the unitary evolution operator. A physical interpretation of these conditions is given in terms of the clock's rate. Unitary dynamics is associated with rates that are constant in time and independent of the clock's internal structure.

10.
arXiv (CS.AI) 2026-06-25

Stable-Shift: Biologically Structured Prediction of Transcriptional Responses to Unseen Gene Perturbations

arXiv:2606.24940v1 Announce Type: cross Abstract: Predicting transcriptional responses to genetic perturbations could reduce the experimental burden of functional genomics, but extrapolation to genes that were never perturbed during training remains difficult. We present Stable-Shift, a structured method for estimating unseen-gene responses. Stable-Shift aggregates single-cell measurements into perturbation-level expression shifts, fits a low-rank response basis using training perturbations only, and predicts an unseen gene's coordinates in that basis from biological context. The context combines STRING interactions, network structure, control-cell expression statistics, and Gene Ontology annotations; the evaluated implementation uses graph convolution to integrate these inputs. On the supplied K562 Perturb-seq benchmark, Stable-Shift obtained 0.592 cosine similarity, compared with 0.569 for GEARS, together with higher Spearman correlation and top-gene precision among the evaluated methods. Its mean cosine similarity over five unseen-gene splits was 0.589 +/- 0.008. The same ordering was observed in the supplied graph-aware, residualized, gene-space, and Norman-dataset comparisons. These results support further study of biologically structured latent-response prediction, while the lower gene-space accuracy and sensitivity to sparse graph neighborhoods limit the scope of the present conclusions.

11.
Nature (Science) 2026-06-16

Mathematicians are developing rules for AI use — other fields should follow

Authors: Unknown Author

The mathematics community is right to call for transparency, integrity and fairness to be protected when AI tools are used. Researchers in other disciplines could learn from this approach. The mathematics community is right to call for transparency, integrity and fairness to be protected when AI tools are used. Researchers in other disciplines could learn from this approach.

12.
arXiv (CS.CL) 2026-06-16

CODA-BENCH: Can Code Agents Handle Data-Intensive Tasks?

Advanced agents are increasingly demonstrating the potential to operate as autonomous engineers, creating a growing demand for evaluation benchmarks that capture the complexity of real-world development. Such environments typically involve both complex code and large-scale data (i.e., file system). However, existing benchmarks usually evaluate code-centric or data-centric capabilities in isolation, leaving a clear gap with real development scenarios. In this paper, we bridge this gap by introducing CODA-BENCH, the first benchmark to jointly evaluate code and data intelligence in a data-intensive environment. We construct a data-intensive Linux sandbox based on the Kaggle ecosystem (containing hundreds of datasets), where agents must actively explore complex file hierarchies to identify relevant resources and generate code for data-driven analytical tasks. CODA-BENCH comprises 1,009 tasks spanning 31 communities, with each task environment containing an average of 980 files, simulating realistic data scale and noise. Evaluations of advanced agents reveal that even top-performing systems struggle to effectively integrate data discovery with code execution, achieving a success rate of only 61.1%. These results highlight a substantial gap in current agentic capabilities for data-intensive tasks and point to promising directions for future research.

13.
bioRxiv (Bioinfo) 2026-06-11

STITCH links cellular morphology and gene expression in spatial transcriptomics

In situ spatial (ISS) sequencing can uncover co-variation between cellular morphology and gene expression in vivo. However, a principled and interpretable mathematical representation of morphology has not yet been applied in this context. In particular, current deep learning-based representations of cell images confound a cell's shape with its size. We present an interpretable representation of cellular boundary contours, based on tangent principal component analysis (TPCA) in a Kendall shape manifold, that captures size-independent contour shape features. This approach successfully recovers shape-perturbing genes in an RNAi screen than a previous metric geometry-based approach. We build on TPCA to develop STITCH (Shape-TranscriptomIc Correlation and Harmonization), an approach to reveal covariation between cell morphology with gene expression in ISS datasets. In a Xenium dataset, STITCH outperforms a deep learning-based approach in both recovering the layered organization of keratinocytes and a spatial gradient in nuclear eccentricity. Across samples in a melanoma CosMx dataset, STITCH reproducibly associates elongated and triangular fibroblasts with proximity to malignant cells and myofibroblast-like transcriptional program. Finally, STITCH independently recovers a known link between mesenchymal-like malignant cell states and increased cell area in two melanoma cohorts. STITCH can thus yield interpretable morphology-transcriptome relationships across cell types, patients, and spatial transcriptomics platforms.

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

A global log for medical AI

arXiv:2510.04033v2 Announce Type: replace Abstract: Modern computer systems rely on syslog, a universal protocol that records critical events across heterogeneous infrastructure. Medicine's rapidly growing AI stack has no equivalent. As medicine deploys AI tools at scale, there is no standard way to record how, when, by whom, and for whom these models are used. Without such records, it is difficult to measure real-world performance and outcomes, detect adverse events, or identify bias and dataset drift. Here we introduce MedLog, a protocol for event-level logging of medical AI. Each time an AI model interacts with a human, another algorithm, or an automated workflow, MedLog creates a record. Each record contains nine core fields: header, model, user, target, inputs, artifacts, outputs, outcomes, and feedback. We apply MedLog across four deployments in the US, Switzerland, and Vietnam: ICU deterioration prediction, tetanus progression monitoring from wearable signals, automated sepsis quality reporting, and patient attendance prediction. MedLog records capture model behavior, workflow interactions, and downstream outcomes, including AI performance degradation during severe weather events in patient attendance prediction and increased laboratory testing after ICU deterioration alerts. MedLog limits the data footprint through risk-based sampling, lifecycle-aware retention policies, and write-behind caching, enabling deployment in low-resource settings. It also supports detailed traces for complex, agentic, or multi-stage workflows, creating a foundation for continuous monitoring, auditing, and improvement of medical AI.

15.
arXiv (quant-ph) 2026-06-19

$K$-Theoretic Obstructions to Linearizing QCA Representations

arXiv:2606.19657v1 Announce Type: cross Abstract: Projective representations arise naturally in physics and representation theory, and determining whether they can be linearized has been a fundamental problem. In this work, we study the analogous problem for quantum cellular automata (QCA) representations, which incorporate locality constraints imposed by a metric space $X$. Over an arbitrary field $\mathbb{F}$, we develop an obstruction theory for the linearization of QCA representations, using the algebraic $K$-theory spectrum of QCA constructed in previous work of the authors. The resulting obstructions are governed by the homotopy type of the QCA spaces, from which we extract universal obstruction classes to linearization. In the complex algebraic and unitary case, we also fully compute the homotopy types of the QCA spaces over a point, a line, and a plane.

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

Understanding Cross-Modal Contributions in Continual Vision-Language Models: A Theoretical Perspective

Continual vision-language models are commonly addressed through sequential fine-tuning; however, although this paradigm enables adaptation to new environments (tasks), it inherently emphasizes the contribution of previously learned environments (tasks) at the expense of the stability required to preserve previously acquired knowledge. While existing approaches have adequately studied continual learning and catastrophic forgetting in vision-language models (VLMs), the theoretical understanding of modality-specific contributions across a sequence of environments remains largely unexplored. In this paper, we present a new theoretical perspective to understand the cross-modal (vision-language) contributions to consecutive environments. We empirically evaluate our theoretical findings on large VLMs and demonstrate their effectiveness in capturing environment-level cross-modal contributions. Our analysis provides deeper insights into continual VLMs, highlighting their contribution robustness to varying task orders and inter-task similarities, and their improved generalization performance.

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

Contaminated Collaboration: Measuring Gender Bias Transfer in LLM-Assisted Student Writing

Gender bias in LLMs has been studied extensively in model outputs, with biased prompts shown to amplify stereotyped generations. Whether such bias propagates into text produced by humans who use these systems, however, remains underexplored. We investigate whether gender bias in an LLM writing assistant transfers into career plan essays written by students. We first verify that a gender-biased prompt induces gender-differentiated language in LLM-generated essays, while a neutral prompt does not. We then recruited participants (N = 123) in a controlled environment to write career plan essays for paired biographical profiles differing only in gender under three conditions: no AI assistance, neutral LLM assistance, or gender-biased LLM assistance. Students in the biased condition produced essays with a significantly larger agentic gap and more gender-stereotypic occupation suggestions than those in the control and neutral conditions. Our results also reveal that this bias transfer is asymmetric: agency is suppressed in female-target essays while male-target writing remains largely unaffected. Our findings highlight the risk of bias propagation in AI-assisted writing, calling for fairness-aware design in educational AI tools.

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

BadWorld: Adversarial Attacks on World Models

Visual world models (VWMs) synthesize interactive, action-conditioned rollouts from a single context image. However, it remains an open question how robust these models are to adversarial perturbations. Standard adversarial attacks fail to assess this vulnerability because attackers lack ground-truth future videos and cannot predict subsequent user controls. We introduce BadWorld, a label-free adversarial framework tailored for autoregressive VWMs that systematically overcomes both constraints. First, to bypass the need for future supervision, we propose a self-supervised velocity attack that directly disrupts the early denoising dynamics of the model. Second, to ensure the attack generalizes across unpredictable user actions, we formulate a trajectory-adaptive bi-level optimization that actively mines hard control sequences to forge control-agnostic perturbations. Evaluated on representative VWMs with continuous and discrete controls, BadWorld exposes severe structural fragility. Visually indistinguishable adversarial images reliably trigger catastrophic degradation in future rollouts, leading to incomplete denoising, structural collapse, and control inconsistency. These findings reveal critical risks for deploying VWMs in safety-critical systems while highlighting a practical mechanism for privacy protection.

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

Causal-rCM: A Unified Teacher-Forcing and Self-Forcing Open Recipe for Autoregressive Diffusion Distillation in Streaming Video Generation and Interactive World Models

Autoregressive video diffusion with causal diffusion transformers has emerged as a major paradigm for real-time streaming video generation and action-conditioned interactive world models. In this work, we extend rCM, an advanced diffusion distillation framework, to autoregressive video diffusion. The core philosophy of rCM lies in the complementarity between forward and reverse divergences, represented by consistency models (CMs) and distribution matching distillation (DMD), respectively, in diffusion distillation. This philosophy naturally carries over to the autoregressive setting, where teacher-forcing (TF) provides an offline, forward-divergence causal training paradigm, while self-forcing (SF) corresponds to an on-policy, reverse-divergence refinement. Our contributions are: (1) through extensive experiments, we show that teacher-forcing CM is currently the best complement to self-forcing DMD as an initialization strategy (2) we present the first implementation of teacher-forcing-based continuous-time CMs (e.g., sCM/MeanFlow) for autoregressive video diffusion, enabled by our custom-mask FlashAttention-2 JVP kernel, achieving 10$\times$ faster convergence compared to discrete-time CMs (dCMs) (3) we introduce Causal-rCM, a leading, unified, and scalable algorithm-infrastructure open recipe for diffusion distillation and causal training (4) we achieve state-of-the-art streaming video generation performance in both frame-wise and chunk-wise settings, using only synthetic data for training. Notably, our distilled 2-step causal Wan2.1-1.3B model achieves a VBench-T2V score of 84.63 with only 1 or 2 sampling steps. We further apply Causal-rCM to Cosmos 3, an advanced omnimodal world foundation model for physical AI with action-conditioned generation capability, enabling an interactive world model.

20.
arXiv (CS.CV) 2026-06-25

EchoStyle: Unlocking High-Fidelity Video Stylization with Reverse Data Synthesis

While image stylization has been studied extensively, video stylization remains a critical and largely unsolved challenge in the field of intelligent content creation. Existing methods, usually utilizing a reference image as the style prior, suffer from content leakage, data scarcity and limited adaptability to long videos, leading to suboptimal results with severe style drift and motion distortion. For these issues, we present EchoStyle, a scalable text-driven framework to achieve high-quality stylization of videos with arbitrary lengths. To start with, we construct a video-to-video architecture to appropriately re-fuse the video content and the text style. To address data scarcity, we pioneer an automatic reverse-synthesis pipeline to establish V-Style20k, a large-scale stylization dataset of 20k high-quality video pairs. To facilitate long video stylization, we devise an init-follow-mode mechanism along with a sliding-window inference strategy. Extensive experiments demonstrate EchoStyle's excellent performance across a wide range of artistic styles, even comparable to leading closed-source solutions.

21.
medRxiv (Medicine) 2026-06-22

Why drinking episodes escalate differently: Event-level pathways linking hazardous alcohol consumption and sexual risk

Background: Alcohol-involved drinking episodes vary in whether they involve hazardous alcohol consumption alone, near-miss sexual risk, or sexual risk behavior, but the within-event mechanisms underlying this variability remain unclear. Methods: Guided by syndemic theory, we conducted a qualitative event-level analysis using modified grounded theory among adults in the San Francisco Bay Area who reported hazardous alcohol consumption, defined as an Alcohol Use Disorder Identification Test score [&ge;]16. In-depth interviews elicited narratives of recent heavy drinking episodes and yielded 64 discrete drinking events across 22 participants. We focused on 35 events with evidence of within-event interaction between biopsychosocial and contextual factors. Using constant comparison, we identified escalation pathways, characterized interruption, and examined how events diverge into three outcomes: hazardous alcohol consumption only, hazardous alcohol consumption with near-miss sexual risk (when risk was plausible but not enacted), and hazardous alcohol consumption with sexual risk behavior. Results: Two primary escalation pathways emerged. Dose-driven escalation involved cumulative alcohol or substance exposure that progressively impaired awareness and self-regulation. Meaning-driven escalation involved prioritizing connection, intimacy, or belonging despite awareness of risk. Time-driven continuation extended exposure across contexts and amplified both pathways. Hazardous alcohol consumption-only events more often followed dose-driven pathways, whereas events involving sexual risk behavior more often followed meaning-driven pathways. Near-miss events occurred across both pathways and illustrated how interruption before the escalation constraint point, when the capacity to modify behavior became reduced, could redirect escalation before sexual risk behavior occurred. Across events with similar levels of intoxication narratives, outcomes diverged according to when the interruption occurred and whether it altered escalation. Conclusion: Hazardous drinking episodes diverge into different outcomes based on escalation pathways and the timing and effectiveness of interruption. Early and effective interruption before the escalation constraint point may represent a key target for harm-reduction strategies to prevent progression to sexual risk behavior.

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

Learning-Augmented Approximation for Unrelated-Machines Makespan Scheduling

arXiv:2606.13133v1 Announce Type: cross Abstract: Recently, Antoniadis et al. (ICLR 2025) proposed a framework for incorporating predictions to approximate NP-hard selection problems. Despite its simplicity, this approach tightly matches theoretical lower bounds, making its generalization highly compelling. We address an open question raised in the work of Antoniadis et al., concerning the extension of this approach to other important problems outside the class of selection problems, such as scheduling. We develop a learning-augmented algorithm for the makespan minimization problem on unrelated machines, denoted by $R\|C_{\max}$. By using predictions of heavy job assignments, we achieve a polynomial-time $(1+\varepsilon)$-approximation for accurate predictions that smoothly degrades to a worst-case 2-approximation as the error increases. We conclude our work with an empirical analysis of our method.

23.
arXiv (CS.LG) 2026-06-12

Physics-Aware Auxiliary Losses Improve Out-of-Distribution Generalization of a GNN Synthesizability Filter

arXiv:2606.12651v1 Announce Type: new Abstract: Machine-learning drug-discovery pipelines increasingly rely on generative models that propose molecules far from the data used to train downstream synthesizability filters. Existing filters (SAScore, SCScore, RAscore, DeepSA) are purely statistical and degrade in exactly this out-of-distribution (OOD) regime. We ask whether cheap, closed-form physical priors, used as auxiliary supervision on a graph neural network (GNN), improve OOD generalization. We add two auxiliary losses to a GINE backbone: a topological complexity regression supervised by the Bertz index, and a strain-energy soft penalty supervised by MMFF94 force-field energy. On a 65,177-molecule corpus (HIV, Tox21, COCONUT) labeled by SAScore thresholds we reproduce a strong in-distribution baseline, then evaluate a 4-way ablation (baseline / +complexity / +strain / +both) on a single-source OOD split (train on drug-like HIV+Tox21, test on COCONUT natural products), repeated over 5 seeds with paired bootstrap confidence intervals. All three physics-aware variants give a small but statistically significant OOD improvement over the baseline (mean OOD AUC 0.9774): +complexity Delta = +0.0060 (95% CI [+0.0023, +0.0102]), +strain Delta = +0.0032 ([+0.0008, +0.0052]), +both Delta = +0.0066 ([+0.0038, +0.0093]); every interval excludes zero, and the combination is best. The variants are indistinguishable in-distribution, so the effect is visible only under OOD evaluation. We are explicit that the effects are modest, and we report a cautionary methodological finding: a single-seed version of this experiment produced a qualitatively different (non-monotone) story that did not survive multi-seed evaluation.

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

Kolmogorov Regression for Robust Diffusion Policies

Authors:

arXiv:2606.18186v1 Announce Type: cross Abstract: Finite-dimensional (FD) diffusion policies exhibit temporal drift owing to discretization artifacts that degrade long-horizon performance (when deployed on physical systems). We introduce a backward Kolmogorov equation that lifts diffusion policies to a Cameron-Martin space – a subset of the Hilbert space. Essentially, replacing stochastic score matching with a deterministic boundary-value PDE problem. Our core innovation thrives on Gaussian measure theory whereupon the diffusion noise covariance operator is realized from a colored noise distribution which prescribes a notion of regularity on samples from the model at inference time. We train the diffusion model with a derived precision-weighted Cameron- Martin loss and a Kolmogorov residual is introduced as a PDE diagnostic during inference. These substitutions yield (i) convergence guarantees where the bound's constants depend on the effective rank of the kernel rather than action dimension, (ii) improved trajectory regularity via spectral weighting, and (iii) a deterministic failure detector without reward signals. Validation across two application domains demonstrates substantial improvements: on the PushT manipulation benchmark, the Cameron-Martin loss achieves a 17% improvement in maximum episode reward (0.95 vs. 0.78 for MSE) and 67.6% reduction in inter-step drifts during inference via the introduced residual magnitude. Similarly, on a 6-station manufacturing line with constant work-in-process (CONWIP) flow control, we achieve 28.4% lower RMSE than classical LSTM baselines; a high starvation-event recall (1.0 in test cycles), and effective bottleneck identification (Precision@1 = 1.0 in test set, 13x signal-to-noise ratio). We then certify the dispatch policies with Hamilton-Jacobi reachability theory which reduces deadlock events by 96% compared to uncontrolled dispatch over 100 simulated runs (351 events prevented).

25.
arXiv (quant-ph) 2026-06-19

General circuit mapping algorithm for neutral atom quantum computers

arXiv:2606.20503v1 Announce Type: new Abstract: Neutral atom quantum computers (NAQC) are emerging as a promising, scalable quantum computing platform because of their long qubit coherence, flexible qubit arrangement, and multiqubit gate capabilities. However, circuit execution often requires physically moving qubits, making compilation a critical optimization challenge. We propose a circuit independent mathematical framework built on graph-theoretic combinatorial optimization that determines the minimal number of required qubit transfers. This model captures spatial constraints specific to NAQC platforms with zone-limited gate operations and multi-qubit gates. From this framework, we encode the qubit mapping problem as a nonlinear integer program and solve it using a genetic algorithm, enabling trade-offs between minimizing the total traveled distance and the number of parallel transfer operations. Compared to the state-of-the-art scalable compiler for zoned architectures, our approach consistently finds fewer transfers. Depending on the optimization focus, our method produces shorter traveled distances or fewer parallel transfer operations. This work provides both theoretical guaranties and a practical tool for efficient, architecture-aware quantum circuit compilation. As a result, practitioners can generate hardware-aware mappings that reduce movement-induced errors and better exploit atom transfer parallelism, directly improving execution efficiency on NAQC devices.