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Although equivariant neural networks have become a cornerstone for learning electronic Hamiltonians, the intrinsic non-orthogonality of linear combinations of atomic orbitals (LCAO) basis sets poses a fundamental challenge. The…

材料科学 · 物理学 2026-01-21 Yunlong Wang , Zhixin Liang , Chi Ding , Junjie Wang , Zheyong Fan , Hui-Tian Wang , Dingyu Xing , Jian Sun

Simulating collisions of deformable objects is a fundamental yet challenging task due to the complexity of modeling solid mechanics and multi-body interactions. Existing data-driven methods often suffer from lack of equivariance to physical…

机器学习 · 计算机科学 2025-06-09 Qianyi Chen , Tianrun Gao , Chenbo Jiang , Tailin Wu

The combination of neural network potential (NNP) with molecular simulations plays an important role in an efficient and thorough understanding of a molecular system's potential energy surface (PES). However, grasping the interplay between…

计算物理 · 物理学 2021-10-28 Ji Woong Yu , Min Young Ha , Bumjoon Seo , Won Bo Lee

This paper studies the problem of StyleGAN inversion, which plays an essential role in enabling the pretrained StyleGAN to be used for real image editing tasks. The goal of StyleGAN inversion is to find the exact latent code of the given…

计算机视觉与模式识别 · 计算机科学 2022-05-11 Tianyi Wei , Dongdong Chen , Wenbo Zhou , Jing Liao , Weiming Zhang , Lu Yuan , Gang Hua , Nenghai Yu

Spiking neural networks are efficient computation models for low-power environments. Spike-based BP algorithms and ANN-to-SNN (ANN2SNN) conversions are successful techniques for SNN training. Nevertheless, the spike-base BP training is slow…

神经与进化计算 · 计算机科学 2023-08-31 Jianxiong Tang , Jianhuang Lai , Xiaohua Xie , Lingxiao Yang , Wei-Shi Zheng

Equivariance is a nice property to have as it produces much more parameter efficient neural architectures and preserves the structure of the input through the feature mapping. Even though some combinations of transformations might never…

计算机视觉与模式识别 · 计算机科学 2020-02-11 David W. Romero , Mark Hoogendoorn

The self-attention mechanism is the key to the success of transformers in recent Large Language Models (LLMs). However, the quadratic computational cost $O(n^2)$ in the input sequence length $n$ is a notorious obstacle for further…

机器学习 · 计算机科学 2024-10-17 Yingyu Liang , Heshan Liu , Zhenmei Shi , Zhao Song , Zhuoyan Xu , Junze Yin

The combinations of machine learning with ab initio methods have attracted much attention for their potential to resolve the accuracy-efficiency dilemma and facilitate calculations for large-scale systems. Recently, equivariant message…

计算物理 · 物理学 2025-09-08 Zhixin Liang , Yunlong Wang , Chi Ding , Junjie Wang , Hui-Tian Wang , Dingyu Xing , Jian Sun

Accurate and computationally efficient 3D medical image segmentation remains a critical challenge in clinical workflows. Transformer-based architectures often demonstrate superior global contextual modeling but at the expense of excessive…

图像与视频处理 · 电气工程与系统科学 2026-02-19 Kavyansh Tyagi , Vishwas Rathi , Puneet Goyal

Vision Transformers (ViTs) have emerged as a foundational model in computer vision, excelling in generalization and adaptation to downstream tasks. However, deploying ViTs to support diverse resource constraints typically requires…

计算机视觉与模式识别 · 计算机科学 2025-07-28 Chen Zhu , Wangbo Zhao , Huiwen Zhang , Samir Khaki , Yuhao Zhou , Weidong Tang , Shuo Wang , Zhihang Yuan , Yuzhang Shang , Xiaojiang Peng , Kai Wang , Dawei Yang

Spectral Graph Neural Networks have demonstrated superior performance in graph representation learning. However, many current methods focus on employing shared polynomial coefficients for all nodes, i.e., learning node-unified filters,…

机器学习 · 计算机科学 2024-07-22 Jiahong Ma , Mingguo He , Zhewei Wei

Graph neural networks (GNNs) have become a core paradigm for learning on relational data. In materials science, equivariant GNNs (EGNNs) have emerged as a compelling backbone for crystalline-structure prediction, owing to their ability to…

机器学习 · 计算机科学 2025-10-08 Yang Cao , Zhao Song , Jiahao Zhang , Jiale Zhao

We present a novel software feature for the BrainScaleS-2 accelerated neuromorphic platform that facilitates the partitioned emulation of large-scale spiking neural networks. This approach is well suited for deep spiking neural networks and…

神经与进化计算 · 计算机科学 2024-11-07 Elias Arnold , Philipp Spilger , Jan V. Straub , Eric Müller , Dominik Dold , Gabriele Meoni , Johannes Schemmel

Artificial intelligence (AI) has become a pivotal force in reshaping next generation mobile networks. Edge computing holds promise in enabling AI as a service (AIaaS) for prompt decision-making by offloading deep neural network (DNN)…

网络与互联网体系结构 · 计算机科学 2025-01-28 Vahid Pourakbar , Hamed Shah-Mansouri

Deployment of dynamic neural networks on edge accelerators requires careful consideration of hardware constraints beyond conventional complexity metrics such as Multiply-Accumulate operations. In Early-Exiting Neural Networks (EENN), exit…

计算复杂性 · 计算机科学 2026-04-01 Alaa Zniber , Arne Symons , Ouassim Karrakchou , Marian Verhelst , Mounir Ghogho

The deep neural network (DNN) based AI applications on the edge require both low-cost computing platforms and high-quality services. However, the limited memory, computing resources, and power budget of the edge devices constrain the…

机器学习 · 计算机科学 2021-05-14 Yao Chen , Cole Hawkins , Kaiqi Zhang , Zheng Zhang , Cong Hao

Transformers process tokens in parallel but are temporally shallow: at position $t$, each layer attends to key-value pairs computed based on the previous layer, yielding a depth capped by the number of layers. Recurrent models offer…

机器学习 · 计算机科学 2026-04-24 Costin-Andrei Oncescu , Depen Morwani , Samy Jelassi , Alexandru Meterez , Mujin Kwun , Sham Kakade

\emph{Integrated communication and computation} (IC$^2$) has emerged as a new paradigm for enabling efficient edge inference in sixth-generation (6G) networks. However, the design of IC$^2$ technologies is hindered by the lack of a…

信息论 · 计算机科学 2026-03-04 Jierui Zhang , Jianhao Huang , Kaibin Huang

Recurrent Neural Networks (RNNs) are becoming increasingly important for time series-related applications which require efficient and real-time implementations. The two major types are Long Short-Term Memory (LSTM) and Gated Recurrent Unit…

计算机视觉与模式识别 · 计算机科学 2018-12-19 Zhe Li , Caiwen Ding , Siyue Wang , Wujie Wen , Youwei Zhuo , Chang Liu , Qinru Qiu , Wenyao Xu , Xue Lin , Xuehai Qian , Yanzhi Wang

As the core building block of vision transformers, attention is a powerful tool to capture long-range dependency. However, such power comes at a cost: it incurs a huge computation burden and heavy memory footprint as pairwise token…

计算机视觉与模式识别 · 计算机科学 2023-03-16 Lei Zhu , Xinjiang Wang , Zhanghan Ke , Wayne Zhang , Rynson Lau