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Graph generation aims to sample discrete node and edge attributes while satisfying coupled structural constraints. Diffusion models for graphs often adopt largely factorized forward-noising, and many flow-matching methods start from…

Machine Learning · Computer Science 2026-02-02 Yida Xiong , Jiameng Chen , Xiuwen Gong , Jia Wu , Shirui Pan , Wenbin Hu

The Forward-Forward (FF) Algorithm has been recently proposed to alleviate the issues of backpropagation (BP) commonly used to train deep neural networks. However, its current formulation exhibits limitations such as the generation of…

Machine Learning · Computer Science 2024-03-29 Andreas Papachristodoulou , Christos Kyrkou , Stelios Timotheou , Theocharis Theocharides

Gaussian processes (GPs) are nonparametric priors over functions. Fitting a GP implies computing a posterior distribution of functions consistent with the observed data. Similarly, deep Gaussian processes (DGPs) should allow us to compute a…

Recent works have revealed that infinitely-wide feed-forward or recurrent neural networks of any architecture correspond to Gaussian processes referred to as Neural Network Gaussian Processes (NNGPs). While these works have extended the…

Machine Learning · Statistics 2022-03-08 Hyungi Lee , Eunggu Yun , Hongseok Yang , Juho Lee

Deep Neural Networks demonstrate exceptional performance but remain vulnerable to adversarial perturbations, necessitating formal verification for safety-critical deployment. To address the computational complexity of this task, researchers…

Software Engineering · Computer Science 2026-03-17 Jingyang Li , Fu Song , Guoqiang Li

Inverse protein folding is a fundamental task in computational protein design, which aims to design protein sequences that fold into the desired backbone structures. While the development of machine learning algorithms for this task has…

Machine Learning · Computer Science 2024-11-05 Yiheng Zhu , Jialu Wu , Qiuyi Li , Jiahuan Yan , Mingze Yin , Wei Wu , Mingyang Li , Jieping Ye , Zheng Wang , Jian Wu

Modern deep learning models have achieved great success in predictive accuracy for many data modalities. However, their application to many real-world tasks is restricted by poor uncertainty estimates, such as overconfidence on…

Machine Learning · Statistics 2020-10-16 Ben Adlam , Jaehoon Lee , Lechao Xiao , Jeffrey Pennington , Jasper Snoek

Forward Gradients - the idea of using directional derivatives in forward differentiation mode - have recently been shown to be utilizable for neural network training while avoiding problems generally associated with backpropagation gradient…

Machine Learning · Computer Science 2023-06-13 Louis Fournier , Stéphane Rivaud , Eugene Belilovsky , Michael Eickenberg , Edouard Oyallon

Classifier-Free Guidance (CFG) is a fundamental technique in training conditional diffusion models. The common practice for CFG-based training is to use a single network to learn both conditional and unconditional noise prediction, with a…

Computer Vision and Pattern Recognition · Computer Science 2026-02-11 Prin Phunyaphibarn , Phillip Y. Lee , Jaihoon Kim , Minhyuk Sung

We present a general framework for training deep neural networks without backpropagation. This substantially decreases training time and also allows for construction of deep networks with many sorts of learners, including networks whose…

Machine Learning · Statistics 2017-06-09 Chris Hettinger , Tanner Christensen , Ben Ehlert , Jeffrey Humpherys , Tyler Jarvis , Sean Wade

The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

Biomolecules · Quantitative Biology 2025-01-09 Bobin Yang , Jie Deng , Zhenghan Chen , Ruoxue Wu

The robust estimation of dynamically changing features, such as the position of prey, is one of the hallmarks of perception. On an abstract, algorithmic level, nonlinear Bayesian filtering, i.e. the estimation of temporally changing signals…

Neurons and Cognition · Quantitative Biology 2022-01-05 Anna Kutschireiter , Simone Carlo Surace , Henning Sprekeler , Jean-Pascal Pfister

Neural networks (NN) have demonstrated remarkable capabilities in various tasks, but their computation-intensive nature demands faster and more energy-efficient hardware implementations. Optics-based platforms, using technologies such as…

This paper presents StrADiff, a Structured Source-Wise Adaptive Diffusion Framework for unsupervised blind source separation under linear and nonlinear mixing. The framework treats each latent dimension as a source branch and assigns to it…

Machine Learning · Statistics 2026-04-29 Yuan-Hao Wei

Deep Gaussian processes (DGP) have appealing Bayesian properties, can handle variable-sized data, and learn deep features. Their limitation is that they do not scale well with the size of the data. Existing approaches address this using a…

Machine Learning · Computer Science 2019-05-20 Issam H. Laradji , Mark Schmidt , Vladimir Pavlovic , Minyoung Kim

Neural Radiance Fields (NeRFs) have emerged as a powerful neural 3D representation for objects and scenes derived from 2D data. Generating NeRFs, however, remains difficult in many scenarios. For instance, training a NeRF with only a small…

Computer Vision and Pattern Recognition · Computer Science 2023-05-01 Guandao Yang , Abhijit Kundu , Leonidas J. Guibas , Jonathan T. Barron , Ben Poole

Inspired by the prevalence of recurrent circuits in biological brains, we investigate the degree to which directionality is a helpful inductive bias for artificial neural networks. Taking directionality as topologically-ordered information…

Machine Learning · Computer Science 2025-07-22 Yiding Song

Backpropagation is the pivotal algorithm underpinning the success of artificial neural networks, yet it has critical limitations such as biologically implausible backward locking and global error propagation. To circumvent these…

Machine Learning · Computer Science 2025-09-11 James Gong , Raymond Luo , Emma Wang , Leon Ge , Bruce Li , Felix Marattukalam , Waleed Abdulla

Bayesian causal discovery aims to infer the posterior distribution over causal models from observed data, quantifying epistemic uncertainty and benefiting downstream tasks. However, computational challenges arise due to joint inference over…

Machine Learning · Computer Science 2023-12-11 Yashas Annadani , Nick Pawlowski , Joel Jennings , Stefan Bauer , Cheng Zhang , Wenbo Gong

Many applications of deep learning for image generation use perceptual losses for either training or fine-tuning of the generator networks. The use of perceptual loss however incurs repeated forward-backward passes in a large image…

Machine Learning · Computer Science 2021-05-06 Dmitry Nikulin , Roman Suvorov , Aleksei Ivakhnenko , Victor Lempitsky
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