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In the mid-second decade of new millennium, the development of IT has reached unprecedented new heights. As one derivative of Moore's law, the operating system evolves from the initial 16 bits, 32 bits, to the ultimate 64 bits. Most modern…
The rapid growth in the size of deep learning models strains the capabilities of traditional dense computation paradigms. Leveraging sparse computation has become increasingly popular for training and deploying large-scale models, but…
Graph Transformer is a new architecture that surpasses GNNs in graph learning. While there emerge inspiring algorithm advancements, their practical adoption is still limited, particularly on real-world graphs involving up to millions of…
The identification of high-dimensional nonlinear dynamical systems via the Volterra series has significant potential, but has been severely hindered by the curse of dimensionality. Tensor Network (TN) methods such as the Modified…
Open3D is an open-source library that supports rapid development of software that deals with 3D data. The Open3D frontend exposes a set of carefully selected data structures and algorithms in both C++ and Python. The backend is highly…
We introduce the AbacusHOD model and present two applications of AbacusHOD and the AbacusSummit simulations to observations. AbacusHOD is an HOD framework written in Python that is particle-based, multi-tracer, highly generalized, and…
Predicting the structure of a protein from its sequence is a cornerstone task of molecular biology. Established methods in the field, such as homology modeling and fragment assembly, appeared to have reached their limit. However, this year…
High-level programming languages such as Python are increasingly used to provide intuitive interfaces to libraries written in lower-level languages and for assembling applications from various components. This migration towards…
Simulation is essential for developing quantum hardware and algorithms. However, simulating quantum circuits on classical hardware is challenging due to the exponential scaling of quantum state space. While factorized tensors can greatly…
We introduce gvnn, a neural network library in Torch aimed towards bridging the gap between classic geometric computer vision and deep learning. Inspired by the recent success of Spatial Transformer Networks, we propose several new layers…
Transformer-based language models display impressive reasoning-like behavior, yet remain brittle on tasks that require stable symbolic manipulation. This paper develops a unified perspective on these phenomena by interpreting self-attention…
Modern deep learning models capture the semantics of complex data by transforming them into high-dimensional embedding vectors. Emerging applications, such as retrieval-augmented generation, use approximate nearest neighbor (ANN) search in…
Visibility is a fundamental concept in computational geometry, with numerous applications in surveillance, robotics, and games. This software paper presents T\v{r}iVis, a C++ library developed by the authors for computing numerous…
Translating a program written in one programming language to another can be useful for software development tasks that need functionality implementations in different languages. Although past studies have considered this problem, they may…
Interactive time-varying volume visualization is challenging due to its complex spatiotemporal features and sheer size of the dataset. Recent works transform the original discrete time-varying volumetric data into continuous Implicit Neural…
The HANDE quantum Monte Carlo project offers accessible stochastic algorithms for general use for scientists in the field of quantum chemistry. HANDE is an ambitious and general high-performance code developed by a geographically-dispersed…
Xilinx's AI Engine is a recent industry example of energy-efficient vector processing that includes novel support for 2D SIMD datapaths and shuffle interconnection network. The current approach to programming the AI Engine relies on a C/C++…
We review the concept of support vector machines (SVMs) and discuss examples of their use. One of the benefits of SVM algorithms, compared with neural networks and decision trees is that they can be less susceptible to over fitting than…
The current bulk materials discovery cycle has several inefficiencies from initial computational predictions through fabrication and analyses. Materials are generally evaluated in a singular fashion, relying largely on human-driven…
Hypergraphs, or generalization of graphs such that edges can contain more than two nodes, have become increasingly prominent in understanding complex network analysis. Unlike graphs, hypergraphs have relatively few supporting platforms, and…