high performance computing on graphics processing units: hgpu.org

Large language models (LLMs) have shown remarkable capabilities in code translation, yet their performance deteriorates in low-resource programming domains such as Fortran and emerging frameworks like CUDA, where high-quality parallel data are scarce. We present an automated dataset generation pipeline featuring a dual-LLM Questioner-Solver design that incorporates external knowledge from compilers and runtime feedback. Beyond […]

We introduce BoltzGen, an all-atom generative model for designing proteins and peptides across all modalities to bind a wide range of biomolecular targets. BoltzGen builds strong structural reasoning capabilities about target-binder interactions into its generative design process. This is achieved by unifying design and structure prediction, resulting in a single model that also reaches state-of-the-art […]

In this paper, we propose CUDA-L2, a system that combines large language models (LLMs) and reinforcement learning (RL) to automatically optimize Half-precision General Matrix Multiply (HGEMM) CUDA kernels. Using CUDA execution speed as the RL reward, CUDA-L2 automatically optimizes HGEMM kernels across 1,000 configurations. CUDA-L2 systematically outperforms major matmul baselines to date, from the widely-used […]

Optimizing CUDA kernels is a challenging and labor-intensive task, given the need for hardware-software co-design expertise and the proprietary nature of high-performance kernel libraries. While recent large language models (LLMs) combined with evolutionary algorithms show promise in automatic kernel optimization, existing approaches often fall short in performance due to their suboptimal agent designs and mismatched […]

Machine learning (ML) inference serving systems can schedule requests to improve GPU utilization and to meet service level objectives (SLOs) or deadlines. However, improving GPU utilization may compromise latency-sensitive scheduling, as concurrent tasks contend for GPU resources and thereby introduce interference. Given that interference effects introduce unpredictability in scheduling, neglecting them may compromise SLO or […]

The AI hardware boom has led modern data centers to adopt HPC-style architectures centered on distributed, GPU-centric computation. Large GPU clusters interconnected by fast RDMA networks and backed by high-bandwidth NVMe storage enable scalable computation and rapid access to storage-resident data. Tensor computation runtimes (TCRs), such as PyTorch, originally designed for AI workloads, have recently […]

Matrix multiplication is a fundamental operation in for both training of neural networks and inference. To accelerate matrix multiplication, Graphical Processing Units (GPUs) provide it implemented in hardware. Due to the increased throughput over the software-based matrix multiplication, the multipliers are increasingly used outside of AI, to accelerate various applications in scientific computing. However, matrix […]

Molecular dynamics (MD) simulations are essential for understanding molecular behavior in biology and chemistry, but remain computationally expensive at the scales required for drug discovery and materials design. Machine learning force fields (MLFFs), particularly TensorNet-based architectures, have shown promise in accelerating simulations while maintaining physical accuracy. However, these models still face significant performance bottlenecks in […]

High-performance GPU kernel optimization remains a critical yet labor-intensive task in modern machine learning workloads. Although Triton, a domain-specific language for GPU programming, enables developers to write efficient kernels with concise code, achieving expert-level performance still requires deep understanding of GPU architectures and low-level performance trade-offs. We present TritonForge, a profiling-guided framework for automated Triton […]

Modern cloud platforms increasingly host large-scale deep learning (DL) workloads, demanding high-throughput, low-latency GPU scheduling. However, the growing heterogeneity of GPU clusters and limited visibility into application characteristics pose major challenges for existing schedulers, which often rely on offline profiling or application-specific assumptions. We present RLTune, an application-agnostic reinforcement learning (RL)-based scheduling framework that dynamically […]

Training large language models (LLMs) efficiently requires a deep understanding of how modern GPU systems behave under real-world distributed training workloads. While prior work has focused primarily on kernel-level performance or single-GPU microbenchmarks, the complex interaction between communication, computation, memory behavior, and power management in multi-GPU LLM training remains poorly characterized. In this work, we […]

Ensuring the correctness of compiler optimizations is critical, but existing fuzzers struggle to test optimizations effectively. First, most fuzzers use optimization pipelines (heuristics-based, fixed sequences of passes) as their harness. The phase-ordering problem can enable or preempt transformations, so pipelines inevitably miss optimization interactions; moreover, many optimizations are not scheduled, even at aggressive levels. Second, […]