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Generating molecular graphs is crucial in drug design and discovery but remains challenging due to the complex interdependencies between nodes and edges. While diffusion models have demonstrated their potentiality in molecular graph design,…

Machine Learning · Computer Science 2024-11-11 Xiaoyang Hou , Tian Zhu , Milong Ren , Dongbo Bu , Xin Gao , Chunming Zhang , Shiwei Sun

We present GLOW, a transformer-based particle flow model that combines incidence matrix supervision from HGPflow with a MaskFormer architecture. Evaluated on CLIC detector simulations, GLOW achieves state-of-the-art performance and,…

High Energy Physics - Experiment · Physics 2025-08-28 Dmitrii Kobylianskii , Samuel Van Stroud , Kwok Yiu Wong , Max Hart , Etienne Dreyer , Eilam Gross , Gabriel Facini , Tim Scanlon

In this work, we present a domain flow generation(DLOW) model to bridge two different domains by generating a continuous sequence of intermediate domains flowing from one domain to the other. The benefits of our DLOW model are two-fold.…

Computer Vision and Pattern Recognition · Computer Science 2019-05-14 Rui Gong , Wen Li , Yuhua Chen , Luc Van Gool

Neural program embeddings have demonstrated considerable promise in a range of program analysis tasks, including clone identification, program repair, code completion, and program synthesis. However, most existing methods generate neural…

Software Engineering · Computer Science 2022-04-21 Zongjie Li , Pingchuan Ma , Huaijin Wang , Shuai Wang , Qiyi Tang , Sen Nie , Shi Wu

In GPU-accelerated data analytics, the overhead of data transfer from CPU to GPU becomes a performance bottleneck when the data scales beyond GPU memory capacity due to the limited PCIe bandwidth. Data compression has come to rescue for…

Databases · Computer Science 2026-02-10 Gwangoo Yeo , Zhiyang Shen , Wei Cui , Matteo Interlandi , Rathijit Sen , Bailu Ding , Qi Chen , Minsoo Rhu

Deep neural networks (DNNs) are of critical use in different domains. To accelerate DNN computation, tensor compilers are proposed to generate efficient code on different domain-specific accelerators. Existing tensor compilers mainly focus…

Machine Learning · Computer Science 2023-07-12 Zixuan Ma , Haojie Wang , Jingze Xing , Liyan Zheng , Chen Zhang , Huanqi Cao , Kezhao Huang , Shizhi Tang , Penghan Wang , Jidong Zhai

Generative Adversarial Networks (GANs) have achieved remarkable results in the task of generating realistic natural images. In most successful applications, GAN models share two common aspects: solving a challenging saddle point…

Machine Learning · Statistics 2019-05-21 Piotr Bojanowski , Armand Joulin , David Lopez-Paz , Arthur Szlam

The Deep Graph Library (DGL) was designed as a tool to enable structure learning from graphs, by supporting a core abstraction for graphs, including the popular Graph Neural Networks (GNN). DGL contains implementations of all core graph…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-07-14 Sasikanth Avancha , Vasimuddin Md , Sanchit Misra , Ramanarayan Mohanty

Generating molecular graphs with desired chemical properties driven by deep graph generative models provides a very promising way to accelerate drug discovery process. Such graph generative models usually consist of two steps: learning…

Machine Learning · Statistics 2020-06-19 Chengxi Zang , Fei Wang

Traditional compilers operate on a single generic intermediate representation (IR). These IRs are usually low-level and close to machine instructions. As a result, optimizations relying on domain-specific information are either not possible…

Compiler architects increasingly look to machine learning when building heuristics for compiler optimization. The promise of automatic heuristic design, freeing the compiler engineer from the complex interactions of program, architecture,…

Programming Languages · Computer Science 2020-12-04 Chris Cummins , Hugh Leather , Zacharias Fisches , Tal Ben-Nun , Torsten Hoefler , Michael O'Boyle

Although code generation for Convolution Neural Network (CNN) models has been extensively studied, performing efficient data slicing and parallelization for highly-constrai\-ned Multicore Neural Processor Units (NPUs) is still a challenging…

Performance · Computer Science 2023-04-07 Rafael Sousa , Marcio Pereira , Yongin Kwon , Taeho Kim , Namsoon Jung , Chang Soo Kim , Michael Frank , Guido Araujo

Multi-level intermediate representations (MLIR) show great promise for reducing the cost of building domain-specific compilers by providing a reusable and extensible compiler infrastructure. This work presents TPU-MLIR, an end-to-end…

Programming Languages · Computer Science 2023-02-10 Pengchao Hu , Man Lu , Lei Wang , Guoyue Jiang

Advancing research in the emerging field of deep graph learning requires new tools to support tensor computation over graphs. In this paper, we present the design principles and implementation of Deep Graph Library (DGL). DGL distills the…

The increasing complexity of computing systems places a tremendous burden on optimizing compilers, requiring ever more accurate and aggressive optimizations. Machine learning offers significant benefits for constructing optimization…

Machine Learning · Computer Science 2020-03-25 Chris Cummins , Zacharias V. Fisches , Tal Ben-Nun , Torsten Hoefler , Hugh Leather

In this paper we propose WaveGlow: a flow-based network capable of generating high quality speech from mel-spectrograms. WaveGlow combines insights from Glow and WaveNet in order to provide fast, efficient and high-quality audio synthesis,…

Sound · Computer Science 2018-11-02 Ryan Prenger , Rafael Valle , Bryan Catanzaro

Graph Neural Networks (GNNs) present a fundamental hardware challenge by fusing irregular, memory-bound graph traversals with regular, compute-intensive dense matrix operations. While frameworks such as PyTorch Geometric (PyG) and Deep…

Machine Learning · Computer Science 2026-05-27 Anubhab , Rupesh Nasre

We present a deep reinforcement learning approach to minimizing the execution cost of neural network computation graphs in an optimizing compiler. Unlike earlier learning-based works that require training the optimizer on the same graph to…

Machine Learning · Computer Science 2020-02-11 Aditya Paliwal , Felix Gimeno , Vinod Nair , Yujia Li , Miles Lubin , Pushmeet Kohli , Oriol Vinyals

Graph algorithms mainly belong to two categories, topology-driven and data-driven. Data-driven approach maintains a worklist of active nodes, the nodes on which work has to be done. Topology-driven approach sweeps over the entire graph to…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-12-04 Shanthanu S Rai , Rohit M P , Sreepathi Pai

This paper proposes an adaptive neural-compilation framework to address the problem of efficient program learning. Traditional code optimisation strategies used in compilers are based on applying pre-specified set of transformations that…

Artificial Intelligence · Computer Science 2016-05-27 Rudy Bunel , Alban Desmaison , Pushmeet Kohli , Philip H. S. Torr , M. Pawan Kumar