Related papers: LibSC: Library for Scaling Correction Methods in D…

Linear scaling methods for density-functional theory (DFT) simulations are formulated in terms of localised orbitals in real-space, rather than the delocalised eigenstates of conventional approaches. In local-orbital methods, relative to…

The Dice similarity coefficient (DSC) is both a widely used metric and loss function for biomedical image segmentation due to its robustness to class imbalance. However, it is well known that the DSC loss is poorly calibrated, resulting in…

We analyze the finite-length performance of spatially coupled low-density parity-check (SC-LDPC) codes under window decoding over the binary erasure channel. In particular, we propose a refinement of the scaling law by Olmos and Urbanke for…

SC-Flip (SCF) is a low-complexity polar code decoding algorithm with improved performance, and is an alternative to high-complexity (CRC)-aided SC-List (CA-SCL) decoding. However, the performance improvement of SCF is limited since it can…

Large language models (LLMs) have demonstrated strong capabilities in translating natural language questions about relational databases into SQL queries. In particular, test-time scaling techniques such as Self-Consistency and…

Density functional simulations of condensed phase water are typically inaccurate, due to the inaccuracies of approximate functionals. A recent breakthrough showed that the SCAN approximation can yield chemical accuracy for pure water in all…

A new type of spatially coupled low-density parity-check (SC-LDPC) codes motivated by practical storage applications is presented. SC-LDPCL codes (suffix 'L' stands for locality) can be decoded locally at the level of sub-blocks that are…

Transformer-based diffusion models offer superior scalability and performance but suffer from high computational overhead due to the iterative nature and quadratic complexity of self-attention at high resolutions. In this paper, we propose…

Stochastic Computing (SC) is an unconventional computing paradigm processing data in the form of random bit-streams. The accuracy and energy efficiency of SC systems highly depend on the stochastic number generator (SNG) unit that converts…

Quantum low-density parity-check (qLDPC) codes are promising for realizing scalable fault-tolerant quantum computation due to their potential for low-overhead protocols. A common approach to decoding qLDPC codes is to use the belief…

Pre-trained models have achieved success in Chinese Short Text Matching (STM) tasks, but they often rely on superficial clues, leading to a lack of robust predictions. To address this issue, it is crucial to analyze and mitigate the…

The central importance of large scale eigenvalue problems in scientific computation necessitates the development of massively parallel algorithms for their solution. Recent advances in dense numerical linear algebra have enabled the routine…

Computational chemistry is a powerful tool for the discovery of novel materials. In particular, it is used to simulate ionic liquids in search of electrolytes for electrochemical applications. Herein, the choice of the computational method…

In this paper, we propose a framework of the mutual information-maximizing (MIM) quantized decoding for low-density parity-check (LDPC) codes by using simple mappings and fixed-point additions. Our decoding method is generic in the sense…

Approximate functionals used in practical density functional theory (DFT) deviate from the piecewise linear behavior of the exact functional for fractional charges. This deviation causes excess charge delocalization, which leads to…

This chapter presents controlled approximations of Kohn-Sham density functional theory (DFT) that enable very large scale simulations. The work is motivated by the study of defects in crystalline solids, though the ideas can be used in…

Spatially-coupled (SC) codes are a class of low-density parity-check (LDPC) codes that have excellent performance thanks to the degrees of freedom they offer. An SC code is designed by partitioning a base matrix into components, the number…

We present libsharp, a code library for spherical harmonic transforms (SHTs), which evolved from the libpsht library, addressing several of its shortcomings, such as adding MPI support for distributed memory systems and SHTs of fields with…

The surface code is one of the leading quantum error correction codes for realizing large-scale fault-tolerant quantum computing (FTQC). One major challenge in realizing surface-code-based FTQC is the extremely large number of qubits…

Density functional theory (DFT) stands as a cornerstone method in computational quantum chemistry and materials science due to its remarkable versatility and scalability. Yet, it suffers from limitations in accuracy, particularly when…