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This work introduces a method to tune a sequence-based generative model for molecular de novo design that through augmented episodic likelihood can learn to generate structures with certain specified desirable properties. We demonstrate how…

Artificial Intelligence · Computer Science 2017-08-30 Marcus Olivecrona , Thomas Blaschke , Ola Engkvist , Hongming Chen

Replay is the reactivation of one or more neural patterns, which are similar to the activation patterns experienced during past waking experiences. Replay was first observed in biological neural networks during sleep, and it is now thought…

Neurons and Cognition · Quantitative Biology 2021-06-01 Tyler L. Hayes , Giri P. Krishnan , Maxim Bazhenov , Hava T. Siegelmann , Terrence J. Sejnowski , Christopher Kanan

Humans and animals can learn new skills after practicing for a few hours, while current reinforcement learning algorithms require a large amount of data to achieve good performances. Recent model-based approaches show promising results by…

Machine Learning · Computer Science 2023-06-09 Cristiano Capone , Pier Stanislao Paolucci

How to learn an effective reinforcement learning-based model for control tasks from high-level visual observations is a practical and challenging problem. A key to solving this problem is to learn low-dimensional state representations from…

Machine Learning · Computer Science 2022-12-27 Jianda Chen , Sinno Jialin Pan

Small-molecule foundation models are typically pretrained on standalone molecular data, unlike vision and language models that often benefit from cross-modal or relational supervision. Protein-ligand co-folding provides a molecular analogue…

Biomolecules · Quantitative Biology 2026-05-25 Hyosoon Jang , Hyunjin Seo , Honghui Kim , Seonghyun Park , Taewon Kim , Yunhui Jang , Sungsoo Ahn

Spiking activity of neurons engaged in learning and performing a task show complex spatiotemporal dynamics. While the output of recurrent network models can learn to perform various tasks, the possible range of recurrent dynamics that…

Neurons and Cognition · Quantitative Biology 2018-08-21 Christopher Kim , Carson Chow

Artificial intelligence (AI) and neuroscience share a rich history, with advancements in neuroscience shaping the development of AI systems capable of human-like knowledge retention. Leveraging insights from neuroscience and existing…

Machine Learning · Computer Science 2024-04-24 Hikmat Khan , Nidhal Carla Bouaynaya , Ghulam Rasool

We introduce and solve a model which considers two coupled networks growing simultaneously. The dynamics of the networks is governed by the new arrival of network elements (nodes) making preferential attachments to pre-existing nodes in…

Statistical Mechanics · Physics 2007-05-23 Dafang Zheng , Guler Ergun

Substances of abuse are known to activate and disrupt neuronal circuits in the brain reward system. We propose a simple and easily interpretable dynamical systems model to describe the neurobiology of drug addiction that incorporates the…

Neurons and Cognition · Quantitative Biology 2026-05-12 Tom Chou , Maria D'Orsogna

Molecule generation is a task made very difficult by the complex ways in which we represent molecules computationally. A common technique used in molecular generative modeling is to use SMILES strings with recurrent neural networks built…

Biomolecules · Quantitative Biology 2024-02-28 Divahar Sivanesan

Deep learning models have become fundamental tools in drug design. In particular, large language models trained on biochemical sequences learn feature vectors that guide drug discovery through virtual screening. However, such models do not…

Biomolecules · Quantitative Biology 2025-03-28 Joseph D. Clark , Tanner J. Dean , Diwakar Shukla

Data-driven Artificial Intelligence (AI) approaches have exhibited remarkable prowess across various cognitive tasks using extensive training data. However, the reliance on large datasets and neural networks presents challenges such as…

Robotics · Computer Science 2025-08-27 Tianze Liu , Md Abu Bakr Siddique , Hongyu An

Starting with a group of reinforcement-learning agents we derive coupled replicator equations that describe the dynamics of collective learning in multiagent systems. We show that, although agents model their environment in a…

Adaptation and Self-Organizing Systems · Physics 2009-11-07 Yuzuru Sato , James P. Crutchfield

We study active structure learning of Bayesian networks in an observational setting, in which there are external limitations on the number of variable values that can be observed from the same sample. Random samples are drawn from the joint…

Machine Learning · Computer Science 2022-08-23 Noa Ben-David , Sivan Sabato

How can we build agents that keep learning from experience, quickly and efficiently, after their initial training? Here we take inspiration from the main mechanism of learning in biological brains: synaptic plasticity, carefully tuned by…

Neural and Evolutionary Computing · Computer Science 2018-08-01 Thomas Miconi , Jeff Clune , Kenneth O. Stanley

Unlike humans, who are capable of continual learning over their lifetimes, artificial neural networks have long been known to suffer from a phenomenon known as catastrophic forgetting, whereby new learning can lead to abrupt erasure of…

Artificial Intelligence · Computer Science 2018-06-20 Christos Kaplanis , Murray Shanahan , Claudia Clopath

Understanding information exchange and aggregation on networks is a central problem in theoretical economics, probability and statistics. We study a standard model of economic agents on the nodes of a social network graph who learn a binary…

Probability · Mathematics 2014-05-01 Elchanan Mossel , Allan Sly , Omer Tamuz

Researchers have proposed that deep learning, which is providing important progress in a wide range of high complexity tasks, might inspire new insights into learning in the brain. However, the methods used for deep learning by artificial…

Neural and Evolutionary Computing · Computer Science 2019-07-03 Isabella Pozzi , Sander Bohté , Pieter Roelfsema

Multi-view learning is a learning problem that utilizes the various representations of an object to mine valuable knowledge and improve the performance of learning algorithm, and one of the significant directions of multi-view learning is…

Machine Learning · Computer Science 2022-01-11 Run-kun Lu , Jian-wei Liu , Yuan-fang Wang , Hao-jie Xie , Xin Zuo

Continual learning aims to enable machine learning models to learn a general solution space for past and future tasks in a sequential manner. Conventional models tend to forget the knowledge of previous tasks while learning a new task, a…

Machine Learning · Computer Science 2019-04-25 Yu Chen , Tom Diethe , Neil Lawrence