arXiv:2603.12813v1 Announce Type: new Abstract: Agentic AI systems integrating large language models (LLMs) with reasoning and tooluse capabilities are transforming various domains - in particular, software development. In contrast, their application in chemical process flowsheet modelling remains largely unexplored. In this work, we present an agentic AI framework that delivers assistance in an industrial flowsheet simulation environment. To this end, we show the capabilities of GitHub Copilot (GitHub, Inc., 2026), when using state-of-the-art LLMs, such as Claude Opus 4.6 (Anthropic, PBC, 2026), to generate valid syntax for our in-house process modelling tool Chemasim using the technical documentation and a few commented examples as context. Based on this, we develop a multi-agent system that decomposes process development tasks with one agent solving the abstract problem using engineering knowledge and another agent implementing the solution as Chemasim code. We demonstrate the effectiveness of our framework for typical flowsheet modelling examples, including (i) a reaction/separation process, (ii) a pressure-swing distillation, and (iii) a heteroazeotropic distillation including entrainer selection. Along these lines, we discuss current limitations of the framework and outline future research directions to further enhance its capabilities.

arXiv:2603.13173v1 Announce Type: new Abstract: Large Language Models (LLMs) increasingly serve as autonomous reasoning agents in decision support, scientific problem-solving, and multi-agent coordination systems. However, deploying LLM agents in consequential applications requires assurance that their reasoning remains stable under semantically equivalent input variations, a property we term semantic invariance.Standard benchmark evaluations, which assess accuracy on fixed, canonical problem formulations, fail to capture this critical reliability dimension. To address this shortcoming, in this paper we present a metamorphic testing framework for systematically assessing the robustness of LLM reasoning agents, applying eight semantic-preserving transformations (identity, paraphrase, fact reordering, expansion, contraction, academic context, business context, and contrastive formulation) across seven foundation models spanning four distinct architectural families: Hermes (70B, 405B), Qwen3 (30B-A3B, 235B-A22B), DeepSeek-R1, and gpt-oss (20B, 120B). Our evaluation encompasses 19 multi-step reasoning problems across eight scientific domains. The results reveal that model scale does not predict robustness: the smaller Qwen3-30B-A3B achieves the highest stability (79.6% invariant responses, semantic similarity 0.91), while larger models exhibit greater fragility.

arXiv:2603.12288v1 Announce Type: cross Abstract: Tabular machine learning presents a paradox: modern models achieve state-of-the-art performance using high-dimensional (high-D), collinear, error-prone data, defying the "Garbage In, Garbage Out" mantra. To help resolve this, we synthesize principles from Information Theory, Latent Factor Models, and Psychometrics, clarifying that predictive robustness arises not solely from data cleanliness, but from the synergy between data architecture and model capacity. Partitioning predictor-space "noise" into "Predictor Error" and "Structural Uncertainty" (informational deficits from stochastic generative mappings), we prove that leveraging high-D sets of error-prone predictors asymptotically overcomes both types of noise, whereas cleaning a low-D set is fundamentally bounded by Structural Uncertainty. We demonstrate why "Informative Collinearity" (dependencies from shared latent causes) enhances reliability and convergence efficiency, and explain why increased dimensionality reduces the latent inference burden, enabling feasibility with finite samples. To address practical constraints, we propose "Proactive Data-Centric AI" to identify predictors that enable robustness efficiently. We also derive boundaries for Systematic Error Regimes and show why models that absorb "rogue" dependencies can mitigate assumption violations. Linking latent architecture to Benign Overfitting, we offer a first step towards a unified view of robustness to Outcome Error and predictor-space noise, while also delineating when traditional DCAI's focus on label cleaning remains powerful. By redefining data quality from item-level perfection to portfolio-level architecture, we provide a theoretical rationale for "Local Factories" -- learning from live, uncurated enterprise "data swamps" -- supporting a deployment paradigm shift from "Model Transfer" to "Methodology Transfer'' to overcome static generalizability limitations.

arXiv:2603.12340v1 Announce Type: cross Abstract: Managing announced task completion times is a fundamental control problem in project management. While extensive research exists on estimating task durations and task scheduling, the problem of when and how to update completion times communicated to stakeholders remains understudied. Organizations must balance announcement accuracy against the costs of frequent timeline updates, which can erode stakeholder trust and trigger costly replanning. Despite the prevalence of this problem, current approaches rely on static predictions or ad-hoc policies that fail to account for the sequential nature of announcement management. In this paper, we formulate the task announcement problem as a Partially Observable Markov Decision Process (POMDP) where the control policy must decide when to update announced completion times based on noisy observations of true task completion. Since most state variables (current time and previous announcements) are fully observable, we leverage the Mixed Observability MDP (MOMDP) framework to enable more efficient policy optimization. Our reward structure captures the dual costs of announcement errors and update frequency, enabling synthesis of optimal announcement control policies. Using off-the-shelf solvers, we generate policies that act as feedback controllers, adaptively managing announcements based on belief state evolution. Simulation results demonstrate significant improvements in both accuracy and announcement stability compared to baseline strategies, achieving up to 75\% reduction in unnecessary updates while maintaining or improving prediction accuracy.

arXiv:2603.12667v1 Announce Type: cross Abstract: Aggregates, serving as the main skeleton in assemblies of construction materials, are important functional components in various building and transportation infrastructures. They can be used in unbound layer applications, e.g. pavement base and railroad ballast, bound applications of cement concrete and asphalt concrete, and as riprap and large-sized primary crushed rocks. Information on the size and shape or morphology of aggregates can greatly facilitate the Quality Assurance/Quality Control (QA/QC) process by providing insights of aggregate behavior during composition and packing. A full 3D characterization of aggregate particle morphology is difficult both during production in a quarry and at a construction site. Many aggregate imaging approaches have been developed to quantify the particle morphology by computer vision, including 2D image-based approaches that analyze particle silhouettes and 3D scanning-based methods that require expensive devices such as 3D laser scanners or X-Ray Computed Tomography (CT) equipment. This paper presents a flexible and cost-effective photogrammetry-based approach for the 3D reconstruction of aggregate particles. The proposed approach follows a marker-based design that enables background suppression, point cloud stitching, and scale referencing to obtain high-quality aggregate models. The accuracy of the reconstruction results was validated against ground-truth for selected aggregate samples. Comparative analyses were conducted on 2D and 3D morphological properties of the selected samples. Significant differences were found between the 2D and 3D statistics. Based on the presented approach, 3D shape information of aggregates can be obtained easily and at a low cost, thus allowing convenient aggregate inspection, data collection, and 3D morphological analysis.

arXiv:2603.13189v1 Announce Type: cross Abstract: Large Language Models (LLMs) can generate persuasive influence strategies that shift cooperative behavior in multi-agent populations, but a critical question remains: does the resulting cooperation reflect genuine prosocial alignment, or does it mask erosion of agent autonomy, epistemic integrity, and distributional fairness? We introduce Constitutional Multi-Agent Governance (CMAG), a two-stage framework that interposes between an LLM policy compiler and a networked agent population, combining hard constraint filtering with soft penalized-utility optimization that balances cooperation potential against manipulation risk and autonomy pressure. We propose the Ethical Cooperation Score (ECS), a multiplicative composite of cooperation, autonomy, integrity, and fairness that penalizes cooperation achieved through manipulative means. In experiments on scale-free networks of 80 agents under adversarial conditions (70% violating candidates), we benchmark three regimes: full CMAG, naive filtering, and unconstrained optimization. While unconstrained optimization achieves the highest raw cooperation (0.873), it yields the lowest ECS (0.645) due to severe autonomy erosion (0.867) and fairness degradation (0.888). CMAG attains an ECS of 0.741, a 14.9% improvement, while preserving autonomy at 0.985 and integrity at 0.995, with only modest cooperation reduction to 0.770. The naive ablation (ECS = 0.733) confirms that hard constraints alone are insufficient. Pareto analysis shows CMAG dominates the cooperation-autonomy trade-off space, and governance reduces hub-periphery exposure disparities by over 60%. These findings establish that cooperation is not inherently desirable without governance: constitutional constraints are necessary to ensure that LLM-mediated influence produces ethically stable outcomes rather than manipulative equilibria.

arXiv:2410.20894v2 Announce Type: replace Abstract: Artificial General Intelligence (AGI) Agents and Robots must be able to cope with everchanging environments and tasks. They must be able to actively construct new internal causal models of their interactions with the environment when new structural changes take place in the environment. Thus, we claim that active causal structure learning with latent variables (ACSLWL) is a necessary component to build AGI agents and robots. This paper describes how a complex planning and expectation-based detour behavior can be learned by ACSLWL when, unexpectedly, and for the first time, the simulated robot encounters a sort of transparent barrier in its pathway towards its target. ACSWL consists of acting in the environment, discovering new causal relations, constructing new causal models, exploiting the causal models to maximize its expected utility, detecting possible latent variables when unexpected observations occur, and constructing new structures-internal causal models and optimal estimation of the associated parameters, to be able to cope efficiently with the new encountered situations. That is, the agent must be able to construct new causal internal models that transform a previously unexpected and inefficient (sub-optimal) situation, into a predictable situation with an optimal operating plan.

arXiv:2406.14815v5 Announce Type: replace-cross Abstract: Geological parameterization entails the representation of a geomodel using a small set of latent variables and a mapping from these variables to grid-block properties such as porosity and permeability. Parameterization is useful for data assimilation (history matching), as it maintains geological realism while reducing the number of variables to be determined. Diffusion models are a new class of generative deep-learning procedures that have been shown to outperform previous methods, such as generative adversarial networks, for image generation tasks. Diffusion models are trained to "denoise", which enables them to generate new geological realizations from input fields characterized by random noise. Latent diffusion models, which are the specific variant considered in this study, provide dimension reduction through use of a low-dimensional latent variable. The model developed in this work includes a variational autoencoder for dimension reduction and a U-net for the denoising process. Our application involves conditional 2D three-facies (channel-levee-mud) systems. The latent diffusion model is shown to provide realizations that are visually consistent with samples from geomodeling software. Quantitative metrics involving spatial and flow-response statistics are evaluated, and general agreement between the diffusion-generated models and reference realizations is observed. Stability tests are performed to assess the smoothness of the parameterization method. The latent diffusion model is then used for ensemble-based data assimilation. Two synthetic "true" models are considered. Significant uncertainty reduction, posterior P$_{10}$-P$_{90}$ forecasts that generally bracket observed data, and consistent posterior geomodels, are achieved in both cases. PLEASE CITE AS: 10.1016/j.cageo.2024.105755 https://www.sciencedirect.com/science/article/pii/S0098300424002383 NOT WITH THE ARXIV VERSION

arXiv:2411.10406v3 Announce Type: replace-cross Abstract: In the span of four decades, quantum computation has evolved from an intellectual curiosity to a potentially realizable technology. Today, small-scale demonstrations have become possible for quantum algorithmic primitives on hundreds of physical qubits. Nevertheless, there are significant outstanding challenges in quantum hardware, fabrication, software architecture, and algorithms on the path towards a full-stack scalable quantum computing technology. Here, we provide a comprehensive review of these scaling challenges. We show how to facilitate scaling by adopting existing semiconductor technology to build much higher-quality qubits, employing systems engineering approaches, and performing distributed heterogeneous quantum-classical computing. We provide a detailed resource and sensitivity analysis for quantum applications on surface-code error-corrected quantum computers given current, target, and desired hardware specifications based on superconducting qubits, accounting for a realistic distribution of errors. We provide comprehensive resource estimates for several utility-scale applications including quantum chemistry calculations, catalyst design, NMR spectroscopy, and Fermi-Hubbard simulation. We show that orders of magnitude enhancement in performance could be obtained by a combination of hardware improvements and tight quantum-HPC integration. Furthermore, we introduce high-performance architectures for quantum-probabilistic computing with custom-designed accelerators to tackle today's industry-scale classical optimization, machine learning, and quantum simulation tasks in a cost-effective manner.

arXiv:2506.00819v2 Announce Type: replace-cross Abstract: End-to-end autonomous driving systems map sensor data directly to control commands, but remain opaque, lack interpretability, and offer no formal safety guarantees. While recent vision-language-guided reinforcement learning (RL) methods introduce semantic feedback, they often rely on static prompts and fixed objectives, limiting adaptability to dynamic driving scenes. We present DriveMind, a unified semantic reward framework that integrates: (i) a contrastive Vision-Language Model (VLM) encoder for stepwise semantic anchoring; (ii) a novelty-triggered VLM encoder-decoder, fine-tuned via chain-of-thought (CoT) distillation, for dynamic prompt generation upon semantic drift; (iii) a hierarchical safety module enforcing kinematic constraints (e.g., speed, lane centering, stability); and (iv) a compact predictive world model to reward alignment with anticipated ideal states. DriveMind achieves 19.4 +/- 2.3 km/h average speed, 0.98 +/- 0.03 route completion, and near-zero collisions in CARLA Town 2, outperforming baselines by over 4% in success rate. Its semantic reward generalizes zero-shot to real dash-cam data with minimal distributional shift, demonstrating robust cross-domain alignment and potential for real-world deployment.

Nature Medicine, Published online: 16 March 2026; doi:10.1038/s41591-026-04306-9

In cohort 4 of the ILUSTRO trial, combination of anti-CLDN18.2 zolbetuximab plus mFOLFOX6 and nivolumab in patients with CLDN18.2-positive, HER2-negative metastatic gastric or gastroesophageal junction adenocarcinoma led to encouraging clinical efficacy, supporting the testing of this combination in a phase 3 trial.

Nature Medicine, Published online: 12 March 2026; doi:10.1038/s41591-026-04265-1

In this phase 1, open-label dose-escalation study in healthy adults found that the mRNA vaccine (mRNA-1215), encoding the Nipah virus Malaysian strain chimeric pre-fusion F protein linked to glycoprotein G, was safe and induced elevated immune responses at 1 year of follow-up, indicating that this is a promising vaccine candidate for further development.

Nature Medicine, Published online: 12 March 2026; doi:10.1038/s41591-026-04252-6

The authors propose a framework for clinical AI evaluation within simulated digital hospital environments that capture the evolving constraints, and cascading effects, of clinical decisions.

Nature, Published online: 11 March 2026; doi:10.1038/s41586-026-10228-w

Conventional and time-resolved cryo-electron microscopy reveal how NTSR1 dynamically engages and releases different G proteins, capturing over 20 intermediates and uncovering key mechanistic steps in GDP- and GTP-driven activation, subtype selectivity and distinct dissociation pathways.

Nature, Published online: 11 March 2026; doi:10.1038/s41586-026-10214-2

Individual supratentorial ependymoma tumour subgroups have two distinct progenitor-like cell states—neuroepithelial-like and embryonic-like—that are reminiscent of early human brain development and diverge in the extent of their neuronal or ependymal differentiation.

Nature, Published online: 11 March 2026; doi:10.1038/s41586-026-10151-0

Observations of a nearby type I superluminous supernova showing oscillating light-curve bumps provide evidence of a centrally located magnetar in the wake of the explosion, surrounded by an infalling accretion disk undergoing Lense–Thirring precession.

Nature, Published online: 11 March 2026; doi:10.1038/s41586-026-10120-7

Time-resolved cryo-electron microscopy during activation of Gαi1βγ and Gα11βγ heterotrimers bound to NTSR1 enables isolation of multiple transient complexes along the activation pathway and reveals structural motifs that stabilize these intermediates.

Nature, Published online: 11 March 2026; doi:10.1038/s41586-026-10191-6

Age-related microbiome changes increase medium-chain fatty acid-producing bacteria, driving GPR84-mediated myeloid inflammation, impaired vagal signalling and hippocampal dysfunction; targeting this gut–brain pathway restores memory in aged mice.

Nature, Published online: 11 March 2026; doi:10.1038/s41586-026-10229-9

A pangenome reference for the phenotypically diverse crop sorghum aims to help accelerate future efforts to breed crops that are better adapted to changing environments.

Nature, Published online: 11 March 2026; doi:10.1038/s41586-026-10248-6

Imprinting by influenza viruses can cause a deleterious shift of nearly the entire memory recall response against key, conserved epitopes.