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Jingbo Li

Publications and source records attributed to Jingbo Li.

5 recordsLinked to original sources

Enhancing SLMs for Sustainable Code Optimization in Radio-Astronomy

Recent Large Language Models (LLMs) can produce and optimize complex code. We investigate the use of LLMs to generate and optimize code for large-scale sciences, focusing on radio astronomy and sustainability. The LOFAR telescope is currently being upgraded, significantly increasing the sky area observed, while simultaneously processing more data faster. However, this is expected to increase the computational requirements 40-fold. This upgrade thus critically depends on rigorous performance optimization of existing software and widespread adoption of accelerators. The code base is very large, making this a daunting task. We therefore investigate and demonstrate an AI-driven approach meant to assist developers in evaluating and optimizing their code, including porting to hardware accelerators. The LOFAR community is committed to sustainable solutions, and needs to achieve these improvements without increasing the energy budget. We thus need to optimize existing codes or port them to accelerators, while making sure that the optimization process itself is also energy efficient. This poses a challenge, since LLMs are energy-intensive. We therefore propose to use Small Language Models (SLMs) instead to limit environmental impact. In this paper, we show how to enhance SLMs through the use of agentic AI. We extend the SLMs in two ways to improve code generation quality and performance: first with a multi-sampling generation strategy and second with incorporating compiler feedback. We demonstrate that multi-sampling SLMs can match or surpass larger single-generation models with fewer computational resources and that feeding compiler output back into the SLMs leads to consistent improvements across all tested models. Our approach is generic, and can also use Retrieval Augmented Generation (RAG) as well as static and dynamic analysis tools in the code generation pipeline.

cs.SE

Black Arsenic: A Layered Semiconductor with Extreme in-plane Anisotropy

Two-dimensional (2D) layered materials emerge in recent years as a new platform to host novel electronic, optical or excitonic physics and develop unprecedented nanoelectronic and energy applications. By definition, these materials are strongly anisotropic between within the basal plane and cross the plane. The structural and property anisotropies inside their basal plane, however, are much less investigated. Herein, we report a rare chemical form of arsenic, called black-arsenic (b-As), as an extremely anisotropic layered semiconductor. We have performed systematic characterization on the structural, electronic, thermal and electrical properties of b-As single crystals, with particular focus on its anisotropies along two in-plane principle axes, armchair (AC) and zigzag (ZZ). Our analysis shows that b-As exhibits higher or comparable electronic, thermal and electric transport anisotropies between the AC and ZZ directions than any other known 2D crystals. Such extreme in-plane anisotropies are able to potentially implement novel ideas for scientific research and device applications.

cond-mat.mtrl-sci

A curved line search algorithm for atomic structure relaxation

Ab initio atomic relaxations often take large numbers of steps and long times to converge. An atomic relaxation method based on on-the-flight force learning and a corresponding new curved line minimization algorithm is presented to dramatically accelerate this process. Results for metal clusters demonstrate the significant speedup of this method compared with conventional conjugate-gradient method.

cond-mat.mtrl-sci

Structural stability of lattice-matched heterovalent semiconductor superlattices

Lattice-matched heterovalent alloys and superlattices have some unique physical properties. For example, their band gap can change by a large amount without significant change in their lattice constants, thus they have great potential for optelectronic applications. Using first-principles total energy calculation and Monte Carlo simulation as well as lattice harmonic expansion, we systematically study the stability of the heterovalent superlattices. We show that the chemical trend of stability of lattice-matched heterovalent superlattices is significantly different from lattice-mismatched isovalent superlattices, because for lattice-mismatched isovalent superlattices the stability is mostly determined by strain, whereas for lattice-matched nonisovalent superlattices the interfacial energy depend not only on the bond energy but also on the Coulomb energy derived from donor- and acceptor-like wrong bonds. In the short-period heterovalent superlattices, the abrupt [111] interface has the lowest energy even though it is polar, whereas for the long-period heterovalent superlattices, the [110] interface has the lowest energy. On the contrary, [201] superlattices are usually the most stable for lattice-mismatched isovalent superlattices.

cond-mat.mtrl-sci

Tuning polarization and elasticity properties by uniaxial stress in BiFeO3

The changes of polarizational, elastic and structural properties of mutiferroic BiFeO3 under [111] direction uniaxial stress are calculated using density functional theory within the Perdew-Burke- Ernzerhof revised for solids (PBEsol) + U approach, and compared with available measurements or predictions. A large ferroelectric polarization of 87.5 ?C=cm2 is found, agreeing with other theoretical and experimental values, and the polarization changes near-linearly within the uniaxial stress range of 8 GPa to -8 GPa. This property can be used to indirectly control the radiative recombination of luminous organ and the electrical properties of transistor structure. In addition, we have also investigated the elastic stiffness coefficients and the elastic compliance coefficients in the same uniaxial stress range, which provide helpful guidance for the applications of BiFeO3.

cond-mat.mtrl-sci