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Computing the exact optimal experimental design has been a longstanding challenge in various scientific fields. This problem, when formulated using a specific information function, becomes a mixed-integer nonlinear programming (MINLP)…

Methodology · Statistics 2024-09-30 Ling Liang , Haizhao Yang

Protein inverse folding, the task of predicting amino acid sequences for desired structures, is pivotal for de novo protein design. However, existing GNN-based methods typically suffer from restricted receptive fields that miss long-range…

Machine Learning · Computer Science 2026-02-05 Sisi Yuan , Jiehuang Chen , Junchuang Cai , Dong Xu , Xueliang Li , Zexuan Zhu , Junkai Ji

We introduce a new code for cosmological simulations, PHoToNs, which has features on performing massive cosmological simulations on heterogeneous high performance Computer (HPC) and threads oriented programming. PHoToNs adopts a hybrid…

Cosmology and Nongalactic Astrophysics · Physics 2018-06-13 Qiao Wang , Zongyan Cao , Liang Gao , Xuebin Chi , Chen Meng , Jie Wang , Long Wang

We carry out a systematic exploration of the effect of pre-impact rotation on the outcomes of low-speed collisions between planetesimals modeled as gravitational aggregates. We use pkdgrav, a cosmology code adapted to collisional problems…

Earth and Planetary Astrophysics · Physics 2014-06-23 Ronald-Louis Ballouz , Derek C. Richardson , Patrick Michel , Stephen R. Schwartz

Modelling the interaction between ionizing photons emitted from massive stars and their environment is essential to further our understanding of galactic ecosystems. We present a hybrid Radiation-Hydrodynamics (RHD) scheme that couples an…

Instrumentation and Methods for Astrophysics · Physics 2024-04-29 Cheryl S. C. Lau , Maya A. Petkova , Ian A. Bonnell

We present a new code for astrophysical magneto-hydrodynamics specifically designed and optimized for high performance and scaling on modern and future supercomputers. We describe a novel hybrid OpenMP/MPI programming model that emerged…

Instrumentation and Methods for Astrophysics · Physics 2017-03-08 Peter Mendygral , Nick Radcliffe , Krishna Kandalla , David Porter , Brian J. O'Neill , Chris Nolting , Paul Edmon , Julius M. F. Donnert , Thomas W. Jones

A wide variety of outstanding problems in astrophysics involve the motion of a large number of particles ($N\gtrsim 10^{6}$) under the force of gravity. These include the global evolution of globular clusters, tidal disruptions of stars by…

Instrumentation and Methods for Astrophysics · Physics 2017-11-29 Cristián Maureira-Fredes , Pau Amaro-Seoane

Humanoid robots require diverse motor skills to integrate into complex environments, but bridging the kinematic and dynamic embodiment gap from human data remains a major bottleneck. We demonstrate through Hessian analysis that traditional…

Robotics · Computer Science 2026-05-01 Qingrui Zhao , Kaiyue Yang , Xiyu Wang , Shiqi Zhao , Yi Lu , Xinfang Zhang , Qiu Shen , Xiao-Xiao Long , Xun Cao

Robot manipulation in cluttered environments often requires complex and sequential rearrangement of multiple objects in order to achieve the desired reconfiguration of the target objects. Due to the sophisticated physical interactions…

Robotics · Computer Science 2022-08-05 Kejia Ren , Lydia E. Kavraki , Kaiyu Hang

In this work we propose a new numerical approach to distinguish between regular and chaotic orbits in Hamiltonian systems, based on the simultaneous integration of both the orbit and the deviation vectors using a symplectic scheme, hereby…

Chaotic Dynamics · Physics 2015-03-17 Anne-Sophie Libert , Charles Hubaux , Timoteo Carletti

In reversible data embedding, to avoid overflow and underflow problem, before data embedding, boundary pixels are recorded as side information, which may be losslessly compressed. The existing algorithms often assume that a natural image…

Multimedia · Computer Science 2021-10-08 Hanzhou Wu , Wei Wang , Jing Dong , Yanli Chen , Hongxia Wang

Serial robot arms have complicated kinematic equations which must be solved to write effective arm planning and control software (the Inverse Kinematics Problem). Existing software packages for inverse kinematics often rely on numerical…

Robotics · Computer Science 2017-12-08 Dianmu Zhang , Blake Hannaford

The paper presents a numerical implementation of the gravitational N-body problem with contact interactions between non-spherically shaped bodies. The work builds up on a previous implementation of the code and extends its capabilities. The…

Earth and Planetary Astrophysics · Physics 2019-12-11 F. Ferrari , M. Lavagna , E. Blazquez

Various many-body models are treated, which describe $N$ points confined to move on a plane circle. Their Newtonian equations of motion ("accelerations equal forces") are integrable, i. e. they allow the explicit exhibition of $N$ constants…

Mathematical Physics · Physics 2014-07-09 Oksana Bihun , Francesco Calogero

We present an open-source topology-aware hierarchical unstructured mesh partitioning and load-balancing tool TreePart. The framework provides powerful abstractions to automatically detect and build hierarchical MPI topology resembling the…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-08-04 Pavanakumar Mohanamuraly , Gabriel Staffelbach

We proposed the boundary-integral type neural networks (BINN) for the boundary value problems in computational mechanics. The boundary integral equations are employed to transfer all the unknowns to the boundary, then the unknowns are…

Machine Learning · Computer Science 2023-05-26 Jia Sun , Yinghua Liu , Yizheng Wang , Zhenhan Yao , Xiaoping Zheng

In this paper, we examine the problem of push recovery for bipedal robot locomotion and present a reactive decision-making and robust planning framework for locomotion resilient to external perturbations. Rejecting perturbations is an…

Robotics · Computer Science 2022-03-04 Zhaoyuan Gu , Nathan Boyd , Ye Zhao

We present the Seismic Laboratory for Imaging and Modeling/Monitoring (SLIM) open-source software framework for computational geophysics and, more generally, inverse problems involving the wave-equation (e.g., seismic and medical…

We present the multi-GPU realization of the StePS (Stereographically Projected Cosmological Simulations) algorithm with MPI-OpenMP-CUDA hybrid parallelization and nearly ideal scale-out to multiple compute nodes. Our new zoom-in…

Cosmology and Nongalactic Astrophysics · Physics 2019-03-22 Gábor Rácz , István Szapudi , László Dobos , István Csabai , Alexander S. Szalay

(Abridged) We describe a new iterative approach for the realization of equilibrium N-body systems for given density distributions. Our method uses elements of Schwarzschild's technique and of the made-to-measure method, but is based on a…

Cosmology and Nongalactic Astrophysics · Physics 2014-08-20 Denis Yurin , Volker Springel