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Large scale graph optimization problems arise in many fields. This paper presents an extensible, high performance framework (named OpenGraphGym-MG) that uses deep reinforcement learning and graph embedding to solve large graph optimization…

We present an open source Python 3 library aimed at practitioners of molecular simulation, especially Monte Carlo simulation. The aims of the library are to facilitate the generation of simulation data for a wide range of problems; and to…

In recent years, spiking neural networks (SNNs) have been used in reinforcement learning (RL) due to their low power consumption and event-driven features. However, spiking reinforcement learning (SRL), which suffers from fixed coding…

Efficiently serving Large Language Models (LLMs) requires selecting an optimal parallel execution plan, balancing computation, memory, and communication overhead. However, determining the best strategy is challenging due to varying…

The Spinsim python package simulates spin-half and spin-one quantum mechanical systems following a time dependent Shroedinger equation. It makes use of numba.cuda, which is an LLVM (Low Level Virtual Machine) compiler for Nvidia Cuda…

The molecular dynamics simulation code ls1 mardyn is presented. It is a highly scalable code, optimized for massively parallel execution on supercomputing architectures, and currently holds the world record for the largest molecular…

We propose a prompt-conditioned framework built on MedSigLIP that injects textual priors via Feature-wise Linear Modulation (FiLM) and multi-scale pooling. Text prompts condition patch-token features on clinical intent, enabling…

Synchronous Reinforcement Learning (RL) post-training has emerged as a crucial step for enhancing Large Language Models (LLMs) with diverse capabilities. However, many systems designed to accelerate RL post-training still suffer from low…

A promising research direction in enabling LLMs to generate consistently correct code involves addressing their inability to properly estimate program execution, particularly for code they generate. In this work, we demonstrate that Code…

The unknown parameters of simulation models often need to be calibrated using observed data. When simulation models are expensive, calibration is usually carried out with an emulator. The effectiveness of the calibration process can be…

We introduce turboMagnon, an implementation of the Liouville-Lanczos approach to linearized time-dependent density-functional theory, designed to simulate spin-wave spectra in solid-state materials. The code is based on the noncollinear…

We present a versatile GPU-based parallel version of Logistic Regression (LR), aiming to address the increasing demand for faster algorithms in binary classification due to large data sets. Our implementation is a direct translation of the…

Large Language Models (LLMs) are increasingly adopted for complex scientific text generation tasks, yet they often suffer from limitations in accuracy, consistency, and hallucination control. This thesis introduces a Parameter-Efficient…

Rapid advancements in GPU computational power has outpaced memory capacity and bandwidth growth, creating bottlenecks in Large Language Model (LLM) inference. Post-training quantization is the leading method for addressing memory-related…

Achieving optimal program performance requires deep insight into the interaction between hardware and software. For software developers without an in-depth background in computer architecture, understanding and fully utilizing modern…

Spatial transcriptomics (ST) is an emerging technology that enables researchers to investigate the molecular relationships underlying tissue morphology. However, acquiring ST data remains prohibitively expensive, and traditional fixed-grid…

In this article we introduce a novel coupled algorithm for massively parallel direct numerical simulations of electrophoresis in microfluidic flows. This multiphysics algorithm employs an Eulerian description of fluid and ions, combined…

ESBMC implements many state-of-the-art techniques for model checking. We report on new and improved features that allow us to obtain verification results for previously unsupported programs and properties. ESBMC employs a new static…

Multiphase turbulent flow phenomena are observed not only in industrial devices but also in environmental flows, and direct numerical simulation (DNS) plays a key role in their investigation. Many numerical models have been developed;…

Speculative decoding (SD) has emerged as a widely used paradigm to accelerate LLM inference without compromising quality. It works by first employing a compact model to draft multiple tokens efficiently and then using the target LLM to…