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A Unified Heterogeneous Implementation of Numerical Atomic Orbitals-Based Real-Time TDDFT within the ABACUS Package

Announce Type: replace-cross Abstract: We present a unified heterogeneous computing framework for real-time time-dependent density functional theory (RT-TDDFT) based on numerical atomic orbitals (NAOs), implemented in the ABACUS package. We introduce three co-designed abstraction layers, including unified data containers, unified linear algebra operators, and unified grid integration interfaces. These layers collectively accelerate the two most demanding parts of NAO-based RT-TDDFT: explicit...

arXiv Physics 6d ago

The emergent mental operation of the learning brain

How does the learning brain give rise to emergent mental operations that enable skill internalization and generalization? Using five-year longitudinal tracking of children acquiring abacus-based mental calculation, we reveal how sustained practice progressively reconfigures whole-brain states. Learning induces nonlinear transitions from stable baseline configurations through a transient exploratory phase toward restabilized associative brain networks.

bioRxiv 6d ago

CVE-Factory: Scaling Expert-Level Agentic Tasks for Code Security Vulnerability

Announce Type: replace Abstract: Evaluating and improving the security capabilities of code agents requires high-quality, executable vulnerability tasks. However, existing works rely on costly, unscalable manual reproduction and suffer from outdated data distributions. To address these, we present CVE-Factory, the first multi-agent framework to achieve expert-level quality in automatically transforming sparse CVE metadata into fully executable agentic tasks.

arXiv CS 9d ago

Crystal Nights by Greg Egan

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Hacker News 8d ago