Nikhil Jain

Joshua H. Davis, Klaudiusz Rydzy, Srinivasan Ramesh et al.

Performance profiles of GPU kernels generated by tools such as Nsight Compute are rich in detail but are often challenging to interpret. To achieve the best performance possible on a given GPU architecture, kernel developers need to spend significant time analyzing and comparing profiles in the tool's graphical interface to identify and understand kernel performance bottlenecks. Large Language Models (LLMs) have shown promise in understanding complex data and generating natural language explanations. In this paper, we propose the Kernel Execution Explanation Toolkit (KEET), an LLM-based agentic framework for interpreting Nsight Compute profiles to generate useful and data-grounded natural language explanations of performance issues in GPU kernels, and suggestions for optimizations. We evaluate \toolname using several CUDA kernels of varying complexity on NVIDIA H100 GPUs. We find that the generated explanations, when provided as context, improve the quality of LLM code optimization and multiple-choice question answering in downstream tasks. We further demonstrate that the tool can be used to interpret performance data from large sets of profiles to improve the quality of optimization suggestions.

Reese Levine, Rithik Sharma, Nikhil Jain et al.

Running language models in the browser presents a unique opportunity to build efficient, private, and portable AI applications, but requires contending with constrained memory availability and heterogeneous hardware targets. To realize this opportunity, we present Llamas on the Web (LlamaWeb), a WebGPU backend for llama.cpp that enables memory-efficient and performance-portable LLM inference across a wide range of model weight formats in the browser. Our design significantly reduces memory overhead through static memory planning and efficient model loading, addresses cross-device variability through a tunable kernel library, and introduces templated GPU kernels that support performant implementations of numerous quantization formats, enabling broad model support and extensibility to new formats. We evaluate LlamaWeb on 16 devices from 8 vendors, collecting data from 10 language models and four model weight formats. We compare LlamaWeb against existing browser-based LLM frameworks and find that LlamaWeb requires 29-33% less memory across several combinations of device, browser, and operating system. We also evaluate LlamaWeb's performance against these frameworks and find that it increases decode throughput by 45-69% across four GPUs from separate vendors. In addition, we compare LlamaWeb's performance against other llama.cpp backends, where it is competitive with and even beats vendor-specific backend performance on some devices.

Benson Chen, Tomasz Danel, Gabriel H. S. Dreiman et al.

DNA-Encoded Libraries (DELs) represent a transformative technology in drug discovery, facilitating the high-throughput exploration of vast chemical spaces. Despite their potential, the scarcity of publicly available DEL datasets presents a bottleneck for the advancement of machine learning methodologies in this domain. To address this gap, we introduce KinDEL, one of the largest publicly accessible DEL datasets and the first one that includes binding poses from molecular docking experiments. Focused on two kinases, Mitogen-Activated Protein Kinase 14 (MAPK14) and Discoidin Domain Receptor Tyrosine Kinase 1 (DDR1), KinDEL includes 81 million compounds, offering a rich resource for computational exploration. Additionally, we provide comprehensive biophysical assay validation data, encompassing both on-DNA and off-DNA measurements, which we use to evaluate a suite of machine learning techniques, including novel structure-based probabilistic models. We hope that our benchmark, encompassing both 2D and 3D structures, will help advance the development of machine learning models for data-driven hit identification using DELs.

Taig Singh, Shreshth Rajan, Nikhil Jain

As modern neural networks become increasingly memory-bound, inference throughput is limited by DRAM bandwidth rather than compute. We present Arithmetic-Intensity-Aware Quantization (AIQ), a mixed precision quantization framework that chooses per-layer bit-widths to maximize arithmetic intensity (AI) while minimizing accuracy loss. AIQ is a post-training quantization method that uses search algorithms over per-layer quantization schemes to minimize a weighted loss over AI and accuracy. On ResNet-20/CIFAR-10, AIQ increases AI by ~50% over an FP32 baseline while keeping test accuracy within ~1 percentage point, and outperforming global uniform quantization schemes. On a memory-bound MobileNetV2 architecture, AIQ configurations give a 1.66x higher throughput than the FP32 baseline while keeping test accuracy within 1 percentage point. We also find that AIQ naturally quantizes larger layers more aggressively.