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Neural network wavefunctions optimized using the variational Monte Carlo method have been shown to produce highly accurate results for the electronic structure of atoms and small molecules, but the high cost of optimizing such wavefunctions…

计算物理 · 物理学 2024-08-27 Gil Goldshlager , Nilin Abrahamsen , Lin Lin

Research into optimisation for deep learning is characterised by a tension between the computational efficiency of first-order, gradient-based methods (such as SGD and Adam) and the theoretical efficiency of second-order, curvature-based…

机器学习 · 计算机科学 2024-06-17 Ross M. Clarke , José Miguel Hernández-Lobato

This paper introduces a new stochastic optimization method based on the regularized Fisher information matrix (FIM), named SOFIM, which can efficiently utilize the FIM to approximate the Hessian matrix for finding Newton's gradient update…

机器学习 · 计算机科学 2024-05-02 Mrinmay Sen , A. K. Qin , Gayathri C , Raghu Kishore N , Yen-Wei Chen , Balasubramanian Raman

Existing methods of pruning deep neural networks focus on removing unnecessary parameters of the trained network and fine tuning the model afterwards to find a good solution that recovers the initial performance of the trained model. Unlike…

机器学习 · 计算机科学 2021-11-17 Abdolghani Ebrahimi , Diego Klabjan

Sharpness-aware minimization (SAM) has received increasing attention in computer vision since it can effectively eliminate the sharp local minima from the training trajectory and mitigate generalization degradation. However, SAM requires…

机器学习 · 计算机科学 2024-06-21 Yili Wang , Kaixiong Zhou , Ninghao Liu , Ying Wang , Xin Wang

K-FAC (arXiv:1503.05671, arXiv:1602.01407) is a tractable implementation of Natural Gradient (NG) for Deep Learning (DL), whose bottleneck is computing the inverses of the so-called ``Kronecker-Factors'' (K-factors). RS-KFAC…

机器学习 · 计算机科学 2023-09-13 Constantin Octavian Puiu

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 Quantum Fisher Information matrix (QFIM) is a central metric in promising algorithms, such as Quantum Natural Gradient Descent and Variational Quantum Imaginary Time Evolution. Computing the full QFIM for a model with $d$ parameters,…

量子物理 · 物理学 2021-10-20 Julien Gacon , Christa Zoufal , Giuseppe Carleo , Stefan Woerner

Natural gradients have long been studied in deep reinforcement learning due to their fast convergence properties and covariant weight updates. However, computing natural gradients requires inversion of the Fisher Information Matrix (FIM) at…

机器学习 · 计算机科学 2026-02-12 Yingxiao Huo , Satya Prakash Dash , Radu Stoican , Samuel Kaski , Mingfei Sun

Geometry-aware optimizers such as Newton and natural gradient can improve conditioning in deep learning, but scalable variants such as K-FAC, Shampoo, and related preconditioners usually impose structural approximations early, often…

机器学习 · 计算机科学 2026-05-07 Simon Dufort-Labbé , Pierre-Luc Bacon , Razvan Pascanu , Simon Lacoste-Julien , Aristide Baratin

Feed-forward neural networks can be understood as a combination of an intermediate representation and a linear hypothesis. While most previous works aim to diversify the representations, we explore the complementary direction by performing…

机器学习 · 计算机科学 2019-10-24 Han Zhao , Yao-Hung Hubert Tsai , Ruslan Salakhutdinov , Geoffrey J. Gordon

Adaptive gradient methods, such as Adam and LAMB, have demonstrated excellent performance in the training of large language models. Nevertheless, the need for adaptivity requires maintaining second-moment estimates of the per-parameter…

计算与语言 · 计算机科学 2023-08-08 Yang Luo , Xiaozhe Ren , Zangwei Zheng , Zhuo Jiang , Xin Jiang , Yang You

Class Activation Mapping (CAM) is a powerful technique used to understand the decision making of Convolutional Neural Network (CNN) in computer vision. Recently, there have been attempts not only to generate better visual explanations, but…

机器学习 · 计算机科学 2021-05-04 Kwang Hee Lee , Chaewon Park , Junghyun Oh , Nojun Kwak

LLMs encounter significant challenges in resource consumption nowadays, especially with long contexts. Despite extensive efforts dedicate to enhancing inference efficiency, these methods primarily exploit internal sparsity within the…

计算与语言 · 计算机科学 2025-07-17 Yi Zhao , Zuchao Li , Hai Zhao

Motivated by the growing interest in quantum machine learning, in particular quantum neural networks (QNNs), we study how recently introduced evaluation metrics based on the Fisher information matrix (FIM) are effective for predicting their…

机器学习 · 计算机科学 2025-10-09 Lorenzo Pastori , Veronika Eyring , Mierk Schwabe

Targeting solutions over `flat' regions of the loss landscape, sharpness-aware minimization (SAM) has emerged as a powerful tool to improve generalizability of deep neural network based learning. While several SAM variants have been…

机器学习 · 计算机科学 2025-01-14 Yilang Zhang , Bingcong Li , Georgios B. Giannakis

In this paper we propose and study a technique to reduce the number of parameters and computation time in fully-connected layers of neural networks using Kronecker product, at a mild cost of the prediction quality. The technique proceeds by…

神经与进化计算 · 计算机科学 2015-07-23 Shuchang Zhou , Jia-Nan Wu

Reducing parameter redundancies in neural network architectures is crucial for achieving feasible computational and memory requirements during training and inference phases. Given its easy implementation and flexibility, one promising…

机器学习 · 计算机科学 2025-08-22 Emanuele Zangrando , Steffen Schotthöfer , Gianluca Ceruti , Jonas Kusch , Francesco Tudisco

In this work, we propose to apply trust region optimization to deep reinforcement learning using a recently proposed Kronecker-factored approximation to the curvature. We extend the framework of natural policy gradient and propose to…

机器学习 · 计算机科学 2017-08-21 Yuhuai Wu , Elman Mansimov , Shun Liao , Roger Grosse , Jimmy Ba

The natural gradient is central in neural quantum states optimizations but it is limited by the cost of computing and inverting the quantum geometric tensor, the quantum analogue of the Fisher information matrix. We introduce a…

量子物理 · 物理学 2025-11-05 Ahmedeo Shokry , Alessandro Santini , Filippo Vicentini