Lewis structures constitute a foundational language in chemical education, mechanistic reasoning, synthesis, and modern cheminformatics. With the accelerating shift toward data-driven and AI-assisted molecular science, the ability to rapidly generate Lewis-like representations, including RDKit-parsable SMILES, has beco...
Farshad Shiri, Jing-Yuan Zhu, Sin-Hang Tong et al.· Journal of Chemical Informat...· 0 citations
CROSS-FOUNDRY QUANTUM NANO PROCESS PORTABILITY AND STANDARDS AT THE LIMIT Research positioning This monograph proposes a falsifiable research architecture for transferring quantum-nanofabrication capability across different foundries without confusing the numerical replication of a proprietary recipe with the reconstru...
Enhanced rock weathering (ERW) has the potential for gigatonne-scale CO2 removal (CDR) annually by introducing finely crushed alkaline minerals into global agricultural soils. However, questions remain about how soil inorganic carbon forms across complex conditions in cropland soils. Here we present COUSINE (COUpled So...
Feng Tao, Benjamin Z. Houlton· Zenodo (CERN European Organi...· 0 citations
Exercise induces heterogeneous changes in KYN metabolism, characterized by reduced TRP and increased KYN/TRP ratio and downstream metabolites, which are transient and context-dependent, reflecting acute changes in metabolic flux rather than sustained pathway remodeling.
M. V. dos Santos Rangel, G. Paz, Maria das Graças C Souza et al.· The FASEB Journal· 0 citations
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A striking geometric disparity has long persisted in the practice of deep learning. While modern neural network architectures naturally exhibit rich symmetry and equivariance properties, popular optimizers such as Adam and its variants operate inherently coordinate-wise, rendering them unable to respect the equivarianc...
The results are extended to cases where (1) $\pi$ is non-log-concave but satisfies a Poincar\'e or log-Sobolev inequality, and (2) $f$ is non-smooth but Lipschitz.
We investigate the problem of matching networks where both edge weights and node features are correlated following a specific node correspondence. While prior work has established sharp thresholds for matching either graphs or features individually, the joint setting has been significantly less explored. In this study,...
Mohammad Hassan Ahmad Yarandi, Luca Ganassali· 0 citations
This work derives the optimal velocity field targeted by the empirical FM objective on sequential data and shows that the resulting sampler is an ODE whose dynamics describe a nonparametric, memory-augmented continuous-time dynamical system.
Soon Hoe Lim, Shi-Zhen Lin, Michael W. Mahoney et al.· arXiv.org· 4 citations
Governments and development partners often seek Sustainable Development Goal (SDG) "accelerators" whose progress can propagate gains across human well-being, institutions, resources, and environmental priorities. Such claims require evidence on direction, timing, robustness, and trade-offs, not only network connectivit...
Md Muhtasim Munif Fahim, Md Jahid Hasan Imran, Md. Naim Molla et al.· 0 citations
Differential privacy (DP) provides robust privacy guarantees for statistical inference, but this can lead to unreliable results and biases in downstream applications. While several noise-aware approaches have been proposed which integrate DP perturbation into the inference, they are limited to specific types of simple...
Talal Alrawajfeh, Joonas J\"alk\"o, Antti Honkela· 0 citations
Joint Energy-Based Models (JEM) unify classification and generation within a single network and support out-of-distribution (OOD) detection. Canonical JEM training relies on stochastic gradient Langevin dynamics (SGLD); a theoretically motivated alternative, the Predictor-Corrector (PC) sampler, has not previously unde...
Recovering a latent potential from observed flow on a directed graph (a discrete Poisson problem with Dirichlet boundaries) is ill-posed, and the standard fix backfires: ridge regularization shrinks toward a gauge-meaningless origin, collapsing and reversing the recovered ordering ($+0.81\to-0.42$ rank correlation agai...
Is your company’s AI sovereign? A practical guide for CIOs on AI vendor lock-in, EU Data Act switching, cloud sovereignty, and testing your exit plan before you need it. The post Sovereignty Is the Option to Leave appeared first on GPT-Lab.
