arXiv subjects

Xiaobin Deng

Publications and source records attributed to Xiaobin Deng.

6 recordsLinked to original sources

arXiv2026

Generative Inverse Design of Cold Metals for Low-Power Electronics

Cold metals are a class of metals with an intrinsic energy gap located close to the Fermi level, which enables cold-carrier injection for steep-slope transistors and is therefore promising for low-power electronic applications. High-throughput screening has revealed 252 three-dimensional (3D) cold metals in the Materials Project database, but database searches are inherently limited to known compounds. Here we present an inverse-design workflow that generates 3D cold metals using MatterGPT, a conditional autoregressive Transformer trained on SLICES, an invertible and symmetry-invariant crystal string representation. We curate a training set of 26,309 metallic structures labeled with energy above hull and a unified band-edge distance descriptor that merges p-type and n-type cold-metal characteristics to address severe label imbalance. Property-conditioned generation targeting thermodynamic stability and 50-500 meV band-edge distances produces 148,506 unique candidates; 92.1% are successfully reconstructed to 3D structures and down-selected by symmetry, uniqueness and novelty filters, followed by high-throughput DFT validation. We identify 257 cold metals verified as novel with respect to the Materials Project database, with gaps around the Fermi level spanning 50-500 meV. First-principles phonon, electronic-structure, and work-function calculations for representative candidates confirm dynamical stability and contact-relevant work functions. Our results demonstrate that SLICES-enabled generative transformers can expand the chemical space of cold metals beyond high-throughput screening, providing a route to low-power electronic materials discovery.

cond-mat.mtrl-sci↗

arXiv2025

Gradient-Driven Natural Selection for Compact 3D Gaussian Splatting

3DGS employs a large number of Gaussian primitives to fit scenes, resulting in substantial storage and computational overhead. Existing pruning methods rely on manually designed criteria or introduce additional learnable parameters, yielding suboptimal results. To address this, we propose an natural selection inspired pruning framework that models survival pressure as a regularization gradient field applied to opacity, allowing the optimization gradients--driven by the goal of maximizing rendering quality--to autonomously determine which Gaussians to retain or prune. This process is fully learnable and requires no human intervention. We further introduce an opacity decay technique with a finite opacity prior, which accelerates the selection process without compromising pruning effectiveness. Compared to 3DGS, our method achieves over 0.6 dB PSNR gain under 15\% budgets, establishing state-of-the-art performance for compact 3DGS. Project page https://xiaobin2001.github.io/GNS-web.

cs.CV↗

arXiv2025

Improving Densification in 3D Gaussian Splatting for High-Fidelity Rendering

Although 3D Gaussian Splatting (3DGS) has achieved impressive performance in real-time rendering, its densification strategy often results in suboptimal reconstruction quality. In this work, we present a comprehensive improvement to the densification pipeline of 3DGS from three perspectives: when to densify, how to densify, and how to mitigate overfitting. Specifically, we propose an Edge-Aware Score to effectively select candidate Gaussians for splitting. We further introduce a Long-Axis Split strategy that reduces geometric distortions introduced by clone and split operations. To address overfitting, we design a set of techniques, including Recovery-Aware Pruning, Multi-step Update, and Growth Control. Our method enhances rendering fidelity without introducing additional training or inference overhead, achieving state-of-the-art performance with fewer Gaussians.

cs.CV↗

arXiv2024

Efficient Density Control for 3D Gaussian Splatting

3D Gaussian Splatting (3DGS) has demonstrated outstanding performance in novel view synthesis, achieving a balance between rendering quality and real-time performance. 3DGS employs Adaptive Density Control (ADC) to increase the number of Gaussians. However, the clone and split operations within ADC are not sufficiently efficient, impacting optimization speed and detail recovery. Additionally, overfitted Gaussians that affect rendering quality may exist, and the original ADC is unable to remove them. To address these issues, we propose two key innovations: (1) Long-Axis Split, which precisely controls the position, shape, and opacity of child Gaussians to minimize the difference before and after splitting. (2) Recovery-Aware Pruning, which leverages differences in recovery speed after resetting opacity to prune overfitted Gaussians, thereby improving generalization performance. Experimental results show that our method significantly enhances rendering quality. Due to resubmission reasons, this version has been abandoned. The improved version is available at https://xiaobin2001.github.io/improved-gs-web .

cs.CV↗

arXiv2024

MatterGPT: A Generative Transformer for Multi-Property Inverse Design of Solid-State Materials

Inverse design of solid-state materials with desired properties represents a formidable challenge in materials science. Although recent generative models have demonstrated potential, their adoption has been hindered by limitations such as inefficiency, architectural constraints and restricted open-source availability. The representation of crystal structures using the SLICES (Simplified Line-Input Crystal-Encoding System) notation as a string of characters enables the use of state-of-the-art natural language processing models, such as Transformers, for crystal design. Drawing inspiration from the success of GPT models in generating coherent text, we trained a generative Transformer on the next-token prediction task to generate solid-state materials with targeted properties. We demonstrate MatterGPT's capability to generate de novo crystal structures with targeted single properties, including both lattice-insensitive (formation energy) and lattice-sensitive (band gap) properties. Furthermore, we extend MatterGPT to simultaneously target multiple properties, addressing the complex challenge of multi-objective inverse design of crystals. Our approach showcases high validity, uniqueness, and novelty in generated structures, as well as the ability to generate materials with properties beyond the training data distribution. This work represents a significant step forward in computational materials discovery, offering a powerful and open tool for designing materials with tailored properties for various applications in energy, electronics, and beyond.

cond-mat.mtrl-sci↗

arXiv2017

Mechanical analysis of pimple growth and pain level characterization

Pimple is one of the most common skin diseases for humans. The mechanical modeling of pimple growth is very limited. A finite element model is developed to quantify the deformation field with the expansion of follicle, and then the mechanical stimulus is related to the sensation of pain during the development of pimple. Through these models, parametric studies show the dependence of mechanical stimulus and pain level on the pimple-surrounded structures, follicle depth and mechanical properties of the epidermis. The findings in this paper may provide useful insights on prevention or pain relief of pimples, as well as those related to cosmetics and other tissue growth.

physics.med-ph↗