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Deep generative models for graph-structured data offer a new angle on the problem of chemical synthesis: by optimizing differentiable models that directly generate molecular graphs, it is possible to side-step expensive search procedures in…

机器学习 · 统计学 2022-09-28 Nicola De Cao , Thomas Kipf

Generic matrix multiplication (GEMM) and one-dimensional convolution/cross-correlation (CONV) kernels often constitute the bulk of the compute- and memory-intensive processing within image/audio recognition and matching systems. We propose…

多媒体 · 计算机科学 2014-11-12 Mohammad Ashraful Anam , Paul N. Whatmough , Yiannis Andreopoulos

Polygon meshes are an efficient representation of 3D geometry, and are of central importance in computer graphics, robotics and games development. Existing learning-based approaches have avoided the challenges of working with 3D meshes,…

图形学 · 计算机科学 2020-02-26 Charlie Nash , Yaroslav Ganin , S. M. Ali Eslami , Peter W. Battaglia

Masked Diffusion Models (MDMs) enable flexible decoding orders, yet existing samplers remain largely greedy, selecting locally certain tokens without accounting for their downstream effects. We show that this myopia can increase cumulative…

计算与语言 · 计算机科学 2026-05-25 Kaisen Yang , Jayden Teoh , Kaicheng Yang , Yitong Zhang , Alex Lamb

Attacking Neural Machine Translation models is an inherently combinatorial task on discrete sequences, solved with approximate heuristics. Most methods use the gradient to attack the model on each sample independently. Instead of…

计算与语言 · 计算机科学 2021-09-02 Badr Youbi Idrissi , Stéphane Clinchant

Matrix multiplication (GEMM) is a core operation to numerous scientific applications. Traditional implementations of Strassen-like fast matrix multiplication (FMM) algorithms often do not perform well except for very large matrix sizes, due…

数学软件 · 计算机科学 2016-11-04 Jianyu Huang , Leslie Rice , Devin A. Matthews , Robert A. van de Geijn

Modern generative models achieve excellent quality in a variety of tasks including image or text generation and chemical molecule modeling. However, existing methods often lack the essential ability to generate examples with requested…

Recent breakthroughs in Large-scale language models (LLMs) have demonstrated impressive performance on various tasks. The immense sizes of LLMs have led to very high resource demand and cost for running the models. Though the models are…

机器学习 · 计算机科学 2024-03-05 Juntao Zhao , Borui Wan , Yanghua Peng , Haibin Lin , Chuan Wu

Semantic segmentation of microscopy images is a critical task for high-throughput materials characterisation, yet its automation is severely constrained by the prohibitive cost, subjectivity, and scarcity of expert-annotated data. While…

计算机视觉与模式识别 · 计算机科学 2026-02-03 Salma Zahran , Zhou Ao , Zhengyang Zhang , Chen Chi , Chenchen Yuan , Yanming Wang

Segmenting an image into its parts is a frequent preprocess for high-level vision tasks such as image editing. However, annotating masks for supervised training is expensive. Weakly-supervised and unsupervised methods exist, but they depend…

计算机视觉与模式识别 · 计算机科学 2022-10-11 Xingzhe He , Bastian Wandt , Helge Rhodin

Prompt learning has achieved great success in efficiently exploiting large-scale pre-trained models in natural language processing (NLP). It reformulates the downstream tasks as the generative pre-training ones to achieve consistency, thus…

计算机视觉与模式识别 · 计算机科学 2023-12-18 Ning Liao , Bowen Shi , Xiaopeng Zhang , Min Cao , Junchi Yan , Qi Tian

The generic matrix multiply (GEMM) function is the core element of high-performance linear algebra libraries used in many computationally-demanding digital signal processing (DSP) systems. We propose an acceleration technique for GEMM based…

数学软件 · 计算机科学 2015-05-30 Davide Anastasia , Yiannis Andreopoulos

In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing molecular generation methods present significant limitations:…

机器学习 · 计算机科学 2025-03-12 Taojie Kuang , Qianli Ma , Athanasios V. Vasilakos , Yu Wang , Qiang , Cheng , Zhixiang Ren

We introduce factorize sum split product networks (FSPNs), a new class of probabilistic graphical models (PGMs). FSPNs are designed to overcome the drawbacks of existing PGMs in terms of estimation accuracy and inference efficiency.…

人工智能 · 计算机科学 2020-11-23 Ziniu Wu , Rong Zhu , Andreas Pfadler , Yuxing Han , Jiangneng Li , Zhengping Qian , Kai Zeng , Jingren Zhou

Masked image modeling (MIM) with transformer backbones has recently been exploited as a powerful self-supervised pre-training technique. The existing MIM methods adopt the strategy to mask random patches of the image and reconstruct the…

计算机视觉与模式识别 · 计算机科学 2024-02-05 Zhaohu Xing , Lei Zhu , Lequan Yu , Zhiheng Xing , Liang Wan

Distributed model fitting refers to the process of fitting a mathematical or statistical model to the data using distributed computing resources, such that computing tasks are divided among multiple interconnected computers or nodes, often…

统计计算 · 统计学 2024-06-04 Xiaofei Wu , Rongmei Liang , Fabio Roli , Marcello Pelillo , Jing Yuan

This paper presents a novel meta algorithm, Partition-Merge (PM), which takes existing centralized algorithms for graph computation and makes them distributed and faster. In a nutshell, PM divides the graph into small subgraphs using our…

数据结构与算法 · 计算机科学 2013-09-25 Vincent Blondel , Kyomin Jung , Pushmeet Kohli , Devavrat Shah

With the recent advances in machine learning for quantum chemistry, it is now possible to predict the chemical properties of compounds and to generate novel molecules. Existing generative models mostly use a string- or graph-based…

生物大分子 · 定量生物学 2020-10-14 Vitali Nesterov , Mario Wieser , Volker Roth

Understanding protein sequences is vital and urgent for biology, healthcare, and medicine. Labeling approaches are expensive yet time-consuming, while the amount of unlabeled data is increasing quite faster than that of the labeled data due…

计算与语言 · 计算机科学 2021-11-01 Liang He , Shizhuo Zhang , Lijun Wu , Huanhuan Xia , Fusong Ju , He Zhang , Siyuan Liu , Yingce Xia , Jianwei Zhu , Pan Deng , Bin Shao , Tao Qin , Tie-Yan Liu

In this study, we introduce Generative Manufacturing Systems (GMS) as a novel approach to effectively manage and coordinate autonomous manufacturing assets, thereby enhancing their responsiveness and flexibility to address a wide array of…

机器学习 · 计算机科学 2025-01-10 Xingyu Li , Fei Tao , Wei Ye , Aydin Nassehi , John W. Sutherland