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Diffusion Large Language Models (dLLMs) have demonstrated significant potential for high-speed inference. However, current confidence-driven decoding strategies are constrained by limited parallelism, typically achieving only 1--3 tokens…

A range of computational biology software (GROMACS, AMBER, NAMD, LAMMPS, OpenMM, Psi4 and RELION) was benchmarked on a representative selection of HPC hardware, including AMD EPYC 7742 CPU nodes, NVIDIA V100 and AMD MI250X GPU nodes, and an…

Speculative decoding is a widely adopted technique for accelerating inference in large language models (LLMs), yet its application to vision-language models (VLMs) remains underexplored, with existing methods achieving only modest speedups…

Power density constraints are limiting the performance improvements of modern CPUs. To address this we have seen the introduction of lower-power, multi-core processors such as GPGPU, ARM and Intel MIC. To stay within the power density…

Molecular docking is a central method in the computer-based screening of compound libraries as a part of the rational approach to drug design. Although the method has proved its competence in predicting binding modes correctly, its inherent…

The development of vision-language models (VLMs) for histo-pathology has shown promising new usages and zero-shot performances. However, current approaches, which decompose large slides into smaller patches, focus solely on inductive…

The scaling of large language models (LLMs) is currently bottlenecked by the rigidity of distributed programming. While high-performance libraries like CuBLAS and NCCL provide optimized primitives, they lack the flexibility required for…

Large language models (LLMs) are changing the way researchers interact with code and data in scientific computing. While their ability to generate general-purpose code is well established, their effectiveness in producing scientifically…

Directory-based protocols have been the de facto solution for maintaining cache coherence in shared-memory parallel systems comprising multi/many cores, where each store instruction is eagerly made globally visible by invalidating the…

In recent years, there has been a surging demand for edge computing of image processing and machine learning workloads. This has reignited interest in the development of custom hardware accelerators that can deliver enhanced performance and…

Deploying deep learning (DL) models across multiple compute devices to train large and complex models continues to grow in importance because of the demand for faster and more frequent training. Data parallelism (DP) is the most widely used…

Medical vision--language models (MVLMs) are increasingly used as perceptual backbones in radiology pipelines and as the visual front end of multimodal assistants, yet their reliability under real clinical workflows remains underexplored.…

Diffusion language models (DLMs) have emerged as a promising alternative to autoregressive language generation due to their potential for parallel decoding and global refinement of the entire sequence. To unlock this potential, DLM…

The integration of Large Language Models (LLMs) into software engineering education has driven the emergence of ``Vibe Coding,'' a paradigm where developers articulate high-level intent through natural language and delegate implementation…

Diffusion Large Language Models (DLLMs) have emerged as a new paradigm of language modeling beyond autoregressive next-token prediction. Taking advantage of their inherent modeling foundations, DLLMs have the great potential of efficient…

Pre-training large neural networks at scale imposes heavy memory demands on accelerators and often requires costly communication. We introduce Subnetwork Data Parallelism (SDP), a distributed training framework that partitions a model into…

This paper discusses our proposal and implementation of Distill, a domain-specific compilation tool based on LLVM to accelerate cognitive models. Cognitive models explain the process of cognitive function and offer a path to human-like…

With the emergence of various molecular tasks and massive datasets, how to perform efficient training has become an urgent yet under-explored issue in the area. Data pruning (DP), as an oft-stated approach to saving training burdens,…

In this paper, we introduce a scanner package enhanced by deep learning (DL) techniques. The proposed package addresses two significant challenges associated with previously developed DL-based methods: slow convergence in high-dimensional…

We devise an approach for targeted molecular design, a problem of interest in computational drug discovery: given a target protein site, we wish to generate a chemical with both high binding affinity to the target and satisfactory…