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Neural networks have succeeded in many reasoning tasks. Empirically, these tasks require specialized network structures, e.g., Graph Neural Networks (GNNs) perform well on many such tasks, but less structured networks fail. Theoretically,…

Machine Learning · Computer Science 2020-02-18 Keyulu Xu , Jingling Li , Mozhi Zhang , Simon S. Du , Ken-ichi Kawarabayashi , Stefanie Jegelka

Graph neural networks trained to predict observable dynamics can be used to decompose the temporal activity of complex heterogeneous systems into simple, interpretable representations. Here we apply this framework to simulated neural…

Neurons and Cognition · Quantitative Biology 2026-02-17 Cédric Allier , Larissa Heinrich , Magdalena Schneider , Stephan Saalfeld

Deep generative models are able to suggest new organic molecules by generating strings, trees, and graphs representing their structure. While such models allow one to generate molecules with desirable properties, they give no guarantees…

Machine Learning · Computer Science 2019-12-05 John Bradshaw , Brooks Paige , Matt J. Kusner , Marwin H. S. Segler , José Miguel Hernández-Lobato

Foundation models contain a wealth of information from their vast number of training samples. However, most prior arts fail to extract this information in a precise and efficient way for small sample sizes. In this work, we propose a…

Machine Learning · Computer Science 2024-04-26 Nico Schiavone , Xingyu Li

Associative networks theory is increasingly providing tools to interpret update rules of artificial neural networks. At the same time, deriving neural learning rules from a solid theory remains a fundamental challenge. We make some steps in…

Neurons and Cognition · Quantitative Biology 2025-03-27 Daniele Lotito

The recent successes of deep learning and deep reinforcement learning have firmly established their statuses as state-of-the-art artificial learning techniques. However, longstanding drawbacks of these approaches, such as their poor sample…

Artificial Intelligence · Computer Science 2020-02-05 Thommen George Karimpanal

Probabilistic graphical models (PGMs) are widely used to discover latent structure in data, but their success hinges on selecting an appropriate model design. In practice, model specification is difficult and often requires iterative…

Machine Learning · Computer Science 2026-04-08 Kevin Zhang , Yixin Wang

The current paper presents how a predictive coding type deep recurrent neural networks can generate vision-based goal-directed plans based on prior learning experience by examining experiment results using a real arm robot. The proposed…

Computer Vision and Pattern Recognition · Computer Science 2018-06-06 Minkyu Choi , Takazumi Matsumoto , Minju Jung , Jun Tani

In this work, we introduce a method to fine-tune a Transformer-based generative model for molecular de novo design. Leveraging the superior sequence learning capacity of Transformers over Recurrent Neural Networks (RNNs), our model can…

Machine Learning · Computer Science 2024-03-11 Pengcheng Xu , Tao Feng , Tianfan Fu , Siddhartha Laghuvarapu , Jimeng Sun

Adaptable models could greatly benefit robotic agents operating in the real world, allowing them to deal with novel and varying conditions. While approaches such as Bayesian inference are well-studied frameworks for adapting models to…

Machine Learning · Computer Science 2023-10-20 Orr Krupnik , Elisei Shafer , Tom Jurgenson , Aviv Tamar

Reliable training of generative adversarial networks (GANs) typically require massive datasets in order to model complicated distributions. However, in several applications, training samples obey invariances that are \textit{a priori}…

The big strides seen in generative AI are not based on somewhat obscure algorithms, but due to clearly defined generative principles. The resulting concrete implementations have proven themselves in large numbers of applications. We suggest…

Artificial Intelligence · Computer Science 2025-11-21 Claudius Gros

For autonomous agents to act as trustworthy partners to human users, they must be able to reliably communicate their competency for the tasks they are asked to perform. Towards this objective, we develop probabilistic world models based on…

Machine Learning · Computer Science 2022-03-25 Aastha Acharya , Rebecca Russell , Nisar R. Ahmed

Artificial and natural neural network models are a new toolkit which could be potentially have been used for clarifying of complex brain functions. To attend this goal, such models need to be neurobiologically realistic. However, although…

Neurons and Cognition · Quantitative Biology 2022-07-08 Arsenii Onuchin

The coding mechanism of sensory memory on the neuron scale is one of the most important questions in neuroscience. We have put forward a quantitative neural network model, which is self organized, self similar, and self adaptive, just like…

Neural and Evolutionary Computing · Computer Science 2014-06-26 Peilei Liu , Ting Wang

There are a number of ways to procedurally generate interesting three-dimensional shapes, and a method where a cellular neural network is combined with a mesh growth algorithm is presented here. The aim is to create a shape from a genetic…

Neural and Evolutionary Computing · Computer Science 2016-03-30 Hugo Martay

We address the problem of building theoretical models that help elucidate the function of the visual brain at computational/algorithmic and structural/mechanistic levels. We seek to understand how the receptive fields and topographic maps…

Neural and Evolutionary Computing · Computer Science 2020-11-10 Simon Osindero

Neural models learn representations of high-dimensional data on low-dimensional manifolds. Multiple factors, including stochasticities in the training process, model architectures, and additional inductive biases, may induce different…

Machine Learning · Computer Science 2025-12-02 Hanlin Yu , Berfin Inal , Georgios Arvanitidis , Soren Hauberg , Francesco Locatello , Marco Fumero

Artificial Intelligence has looked into biological systems as a source of inspiration. Although there are many aspects of the brain yet to be discovered, neuroscience has found evidence that the connections between neurons continuously grow…

Neural and Evolutionary Computing · Computer Science 2020-10-29 Javier Lopez Randulfe , Leon Bonde Larsen

The inability of artificial neural networks to assess the uncertainty of their predictions is an impediment to their widespread use. We distinguish two types of learnable uncertainty: model uncertainty due to a lack of training data and…

Machine Learning · Computer Science 2022-06-14 Hans Weytjens , Jochen De Weerdt
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