arXiv subjects

Jiaxuan Ma

Publications and source records attributed to Jiaxuan Ma.

5 recordsLinked to original sources

arXiv2026

Bgolearn: a Unified Bayesian Optimization Framework for Accelerating Materials Discovery

Efficient exploration of vast compositional and processing spaces remains a major challenge in accelerated materials discovery. Bayesian optimization (BO) provides a principled approach to identify optimal materials with minimal experimentation, but its adoption has been limited by implementation complexity and a lack of domain-specific tools. Here, we present Bgolearn, a versatile Python framework that brings BO to materials research through intuitive interfaces, robust algorithms, and materials-focused workflows. Bgolearn supports single- and multi-objective optimization, multiple acquisition strategies, diverse surrogate models, and uncertainty quantification, enabling effective navigation of complex design spaces. Benchmark studies show that Bgolearn reduces experimental effort by 40-60\% compared with random search, grid search, and genetic algorithms, while achieving comparable or superior solution quality. Its effectiveness is demonstrated across case studies, including the discovery of maximum-elastic-modulus triply periodic minimal surface structures, ultra-high-hardness high-entropy alloys, and high-strength, high-ductility medium-Mn steels, and is further supported by numerous publications. With a modular architecture that integrates seamlessly into existing materials workflows and a graphical interface (BgoFace) that removes programming barriers, Bgolearn establishes a practical, reliable platform for Bayesian optimization in materials science. The software is openly available at https://github.com/Bin-Cao/Bgolearn.

cond-mat.mtrl-sci↗

arXiv2026

Mass-preserving spatio-temporal adaptive PINN for Cahn-Hilliard equations with strong nonlinearity and singularity

As one kind of important phase field equations, Cahn-Hilliard equations involve high-order spatial derivatives, strong nonlinearities, and even solution singularities when certain bulk potentials are used. When using the physics informed neural network (PINN) to simulate the long time evolution of the solution, it is necessary to decompose the time domain to capture the transition of solutions in different time. Moreover, the standard PINN cannot maintain the mass conservation property for the equations exactly. We propose a novel mass-preserving spatiotemporal adaptive PINN, which adaptively divides the time domain according to the rate of energy decrease, and solves the Cahn-Hilliard equation within each subinterval. To improve the prediction accuracy, spatial adaptive sampling is employed in the subdomain to select points with large residual value which are added to the training samples. Notably, a mass constraint is added to the loss function to compensate the mass degradation problem of the PINN method when solving Cahn-Hilliard equations. Numerical experiments are presented to illustrate the effectiveness of the proposed method in solving complex phase field models, including the Cahn-Hilliard equations with different bulk potentials, the three-dimensional Cahn-Hilliard equation with singularities, and the system of Cahn-Hilliard equations.

math.NA↗

arXiv2026

Covering vertices by sequential stars

We study the problem of covering the maximum number of vertices in a graph by a collection of vertex-disjoint stars, each with a number of satellites in a given interval $[k, \ell]$, where $1 \le k < \ell$ and $\ell$ can be infinity. This is referred to as sequential {\sc $[k, \ell]$-Star Packing} problem. It is solvable in polynomial time when $k = 1$, but becomes strongly NP-hard when $k \ge 2$. In this paper, we propose either the first or an improved approximation algorithm for the following four sequential settings: 1) a $\frac {k+1}2$-approximation algorithm when $k \ge 3$ and $\ell = \infty$, improving the previous best ratio of $\frac {(k+1)^2}{2k+1}$; 2) a $\frac 43$-approximation algorithm when $k = 2$ and $\ell = \infty$, improving the previous best ratio of $\frac 32$; 3) the first $(1 + \frac \ell{\ell+1})$-approximation algorithm when $2 = k < \ell$; and 4) the first $(1 + \max\left\{\frac {k-1}2, \frac {(k+1) \ell}{3 (\ell+1)}\right\})$-approximation algorithm when $3 \le k < \ell$. Besides the main algorithmic techniques being local search coupled with amortized analysis, we observe augmenting configurations to bridge two distant neighborhoods for a local improvement operation. Additionally, the problem has been shown APX-hard when $k \ge 3$; we prove its APX-hardness for the last remaining case where $k = 2$.

cs.DS↗

arXiv2025

Maximizing social welfare among EF1 allocations at the presence of two types of agents

We study the fair allocation of indivisible items to $n$ agents to maximize the utilitarian social welfare, where the fairness criterion is envy-free up to one item and there are only two different utility functions shared by the agents. We present a $2$-approximation algorithm when the two utility functions are normalized, improving the previous best ratio of $16 \sqrt{n}$ shown for general normalized utility functions; thus this constant ratio approximation algorithm confirms the APX-completeness in this special case previously shown APX-hard. When there are only three agents, i.e., $n = 3$, the previous best ratio is $3$ shown for general utility functions, and we present an improved and tight $\frac 53$-approximation algorithm when the two utility functions are normalized, and a best possible and tight $2$-approximation algorithm when the two utility functions are unnormalized.

cs.GT↗

arXiv2024

Collecting Larg-Scale Robotic Datasets on a High-Speed Mobile Platform

Mobile robotics datasets are essential for research on robotics, for example for research on Simultaneous Localization and Mapping (SLAM). Therefore the ShanghaiTech Mapping Robot was constructed, that features a multitude high-performance sensors and a 16-node cluster to collect all this data. That robot is based on a Clearpath Husky mobile base with a maximum speed of 1 meter per second. This is fine for indoor datasets, but to collect large-scale outdoor datasets a faster platform is needed. This system paper introduces our high-speed mobile platform for data collection. The mapping robot is secured on the rear-steered flatbed car with maximum field of view. Additionally two encoders collect odometry data from two of the car wheels and an external sensor plate houses a downlooking RGB and event camera. With this setup a dataset of more than 10km in the underground parking garage and the outside of our campus was collected and is published with this paper.

cs.RO↗