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cs.DS updates on arXiv.org

PAC Learning with Bandit Feedback: Sharp Sample Complexity in the Realizable Setting Algorithms with Polynomially-Improved Approximation Factors for the $2 \rightarrow q$ Norm, and Applications A computational phase transition for learning-to-sample from Ising models Covering vertices by sequential stars Fermi-Dirac machines as quantizations of neurons A Comprehensive Evaluation of Vertex Elimination Algorithms for Algorithmic Differentiation A Tight Bound on Localization of Electrical Flows Optimal Dimension-Free Sampling for Regularized Classification Reducing the Randomness in Partition Oracles for Bounded Degree Minor-Free Graphs Beyond the Half-Approximation: Fair and Efficient Online Class Matching Efficient Uniform Sampling of Surjections via their Profiles Tractable Maximization of Budgeted Phylogenetic Diversity on Networks Utilizing Node Scanwidth Fairness in Aggregation: Optimal Top-$k$ and Improved Full Ranking Learning-Augmented Online Scheduling with Parsimonious Preemption Entropy Equivalence Testing Lumberjack: Better Differentially Private Random Forests through Heavy Hitter Detection in Trees The Secretary Problem with a Stochastic Precursor Polynomial-Time Robust Multiclass Linear Classification under Gaussian Marginals Efficient Banzhaf-Based Data Valuation for $k$-Nearest Neighbors Classification Block-Sphere Vector Quantization An Approximation Algorithm for Graph Label Selection Iterative Chow Filtering for Learning with Distribution Shift Complexity of Non-Log-Concave Sampling in Fisher Information Stochastic Matching via Local Sparsification Finite Sample Bounds for Learning with Score Matching What is Learnable in Valiant's Theory of the Learnable? Provable Quantization with Randomized Hadamard Transform Min-Max Optimization Requires Exponentially Many Queries Fast and Compact Graph Cuts for the Boykov-Kolmogorov Algorithm A proximal gradient algorithm for composite log-concave sampling
GPU-Native Compressed Neighbor Lists with a Space-Filling...
Felix Thaler, Sebastian Keller · 2026-02-23 · via cs.DS updates on arXiv.org

We have developed a compressed neighbor list for short-range particle-particle interaction based on a space- filling curve (SFC) memory layout and particle clusters. The neighbor list can be constructed efficiently on GPUs, supporting NVIDIA and AMD hardware, and has a memory footprint of only 4 bytes per particle to store approximately 200 neighbors. Compared to the highly-optimized domain-specific neighbor list implementation of GROMACS, a molecular dynamics code, it has a comparable cluster overhead and delivers similar performance in a neighborhood pass. Thanks to the SFC-based data layout and the support for varying interaction radii per particle, our neighbor list performs well for systems with high density contrasts, such as those encountered in many astrophysical and cosmological applications. Due to the close relation between SFCs and octrees, our neighbor list seamlessly integrates with octree-based domain decomposition and multipole-based methods for long-range gravitational or electrostatic interactions. To demonstrate the coupling between long- and short-range forces, we simulate an Evrard collapse, a standard test case for the coupling between hydrodynamical and gravitational forces, on up to 1024 GPUs, and compare our results to the analytical solution.