Jiong Yang

Yanxiao Hu, Ye Sheng, Jing Huang et al.

Using machine learning (ML) to construct interatomic interactions and thus potential energy surface (PES) has become a common strategy for materials design and simulations. However, those current models of machine learning interatomic potential (MLIP) provide no relevant physical constrains, and thus may owe intrinsic out-of-domain difficulty which underlies the challenges of model generalizability and physical scalability. Here, by incorporating physics-informed Universal-Scaling law and nonlinearity-embedded interaction function, we develop a Super-linear MLIP with both Ultra-Small parameterization and greatly expanded expressive capability, named SUS2-MLIP. Due to the global scaling rooting in universal equation of state (UEOS), SUS2-MLIP not only has significantly-reduced parameters by decoupling the element space from coordinate space, but also naturally outcomes the out-of-domain difficulty and endows the potentials with inherent generalizability and scalability even with relatively small training dataset. The nonlinearity-enbeding transformation for interaction function expands the expressive capability and make the potentials super-linear. The SUS2-MLIP outperforms the state-of-the-art MLIP models with its exceptional computational efficiency especially for multiple-element materials and physical scalability in property prediction. This work not only presents a highly-efficient universal MLIP model but also sheds light on incorporating physical constraints into artificial-intelligence-aided materials simulation.

Jiong Yang, Supratik Chakraborty, Kuldeep S. Meel

The past decade has witnessed a surge of interest in practical techniques for projected model counting. Despite significant advancements, however, performance scaling remains the Achilles' heel of this field. A key idea used in modern counters is to count models projected on an \emph{independent support} that is often a small subset of the projection set, i.e. original set of variables on which we wanted to project. While this idea has been effective in scaling performance, the question of whether it can benefit to count models projected on variables beyond the projection set, has not been explored. In this paper, we study this question and show that contrary to intuition, it can be beneficial to project on variables beyond the projection set. In applications such as verification of binarized neural networks, quantification of information flow, reliability of power grids etc., a good upper bound of the projected model count often suffices. We show that in several such cases, we can identify a set of variables, called upper bound support (UBS), that is not necessarily a subset of the projection set, and yet counting models projected on UBS guarantees an upper bound of the true projected model count. Theoretically, a UBS can be exponentially smaller than the smallest independent support. Our experiments show that even otherwise, UBS-based projected counting can be more efficient than independent support-based projected counting, while yielding bounds of very high quality. Based on extensive experiments, we find that UBS-based projected counting can solve many problem instances that are beyond the reach of a state-of-the-art independent support-based projected model counter.

Alex H. Lang, Sourabh Vora, Holger Caesar et al.

Object detection in point clouds is an important aspect of many robotics applications such as autonomous driving. In this paper we consider the problem of encoding a point cloud into a format appropriate for a downstream detection pipeline. Recent literature suggests two types of encoders; fixed encoders tend to be fast but sacrifice accuracy, while encoders that are learned from data are more accurate, but slower. In this work we propose PointPillars, a novel encoder which utilizes PointNets to learn a representation of point clouds organized in vertical columns (pillars). While the encoded features can be used with any standard 2D convolutional detection architecture, we further propose a lean downstream network. Extensive experimentation shows that PointPillars outperforms previous encoders with respect to both speed and accuracy by a large margin. Despite only using lidar, our full detection pipeline significantly outperforms the state of the art, even among fusion methods, with respect to both the 3D and bird's eye view KITTI benchmarks. This detection performance is achieved while running at 62 Hz: a 2 - 4 fold runtime improvement. A faster version of our method matches the state of the art at 105 Hz. These benchmarks suggest that PointPillars is an appropriate encoding for object detection in point clouds.