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Inverse protein folding -- the task of predicting a protein sequence from its backbone atom coordinates -- has surfaced as an important problem in the "top down", de novo design of proteins. Contemporary approaches have cast this problem as…

The paper focuses on the a posteriori tuning of a generative model in order to favor the generation of good instances in the sense of some external differentiable criterion. The proposed approach, called Boltzmann Tuning of Generative…

Artificial Intelligence · Computer Science 2021-04-13 Victor Berger , Michele Sebag

Training-free guided generation is a widely used and powerful technique that allows the end user to exert further control over the generative process of flow/diffusion models. Generally speaking, two families of techniques have emerged for…

Machine Learning · Computer Science 2025-05-20 Zander W. Blasingame , Chen Liu

We study the efficacy and efficiency of deep generative networks for approximating probability distributions. We prove that neural networks can transform a low-dimensional source distribution to a distribution that is arbitrarily close to a…

Machine Learning · Computer Science 2023-12-05 Yunfei Yang , Zhen Li , Yang Wang

Variational Autoencoders are powerful models for unsupervised learning. However deep models with several layers of dependent stochastic variables are difficult to train which limits the improvements obtained using these highly expressive…

Machine Learning · Statistics 2016-05-30 Casper Kaae Sønderby , Tapani Raiko , Lars Maaløe , Søren Kaae Sønderby , Ole Winther

Models of complex systems often consist of multiple interconnected subsystem/component models that are developed by multi-disciplinary teams of engineers or scientists. To ensure that such interconnected models can be applied for the…

Systems and Control · Electrical Eng. & Systems 2023-01-23 Lars A. L. Janssen , Bart Besselink , Rob H. B. Fey , Nathan van de Wouw

This tutorial provides an in-depth guide on inference-time guidance and alignment methods for optimizing downstream reward functions in diffusion models. While diffusion models are renowned for their generative modeling capabilities,…

Artificial Intelligence · Computer Science 2025-01-22 Masatoshi Uehara , Yulai Zhao , Chenyu Wang , Xiner Li , Aviv Regev , Sergey Levine , Tommaso Biancalani

Generative deep learning systems offer powerful tools for artefact generation, given their ability to model distributions of data and generate high-fidelity results. In the context of computational creativity, however, a major shortcoming…

Machine Learning · Computer Science 2021-07-13 Terence Broad , Sebastian Berns , Simon Colton , Mick Grierson

There has been a lot of recent interest in designing neural network models to estimate a distribution from a set of examples. We introduce a simple modification for autoencoder neural networks that yields powerful generative models. Our…

Machine Learning · Computer Science 2015-06-08 Mathieu Germain , Karol Gregor , Iain Murray , Hugo Larochelle

In this article we provide a method for fully quantum generative training of quantum Boltzmann machines with both visible and hidden units while using quantum relative entropy as an objective. This is significant because prior methods were…

Quantum Physics · Physics 2019-05-27 Nathan Wiebe , Leonard Wossnig

Model-based methods and deep neural networks have both been tremendously successful paradigms in machine learning. In model-based methods, problem domain knowledge can be built into the constraints of the model, typically at the expense of…

Machine Learning · Computer Science 2014-11-21 John R. Hershey , Jonathan Le Roux , Felix Weninger

A deep generative model is developed for representation and analysis of images, based on a hierarchical convolutional dictionary-learning framework. Stochastic {\em unpooling} is employed to link consecutive layers in the model, yielding…

Computer Vision and Pattern Recognition · Computer Science 2015-12-25 Yunchen Pu , Xin Yuan , Andrew Stevens , Chunyuan Li , Lawrence Carin

Much research in machine learning involves finding appropriate inductive biases (e.g. convolutional neural networks, momentum-based optimizers, transformers) to promote generalization on tasks. However, quantification of the amount of…

Machine Learning · Computer Science 2024-06-25 Akhilan Boopathy , William Yue , Jaedong Hwang , Abhiram Iyer , Ila Fiete

Deep generative models are rapidly gaining traction in medical imaging. Nonetheless, most generative architectures struggle to capture the underlying probability distributions of volumetric data, exhibit convergence problems, and offer no…

Machine Learning · Computer Science 2019-07-29 Guilherme Pombo , Robert Gray , Tom Varsavsky , John Ashburner , Parashkev Nachev

Restricted Boltzmann Machines (RBMs) and models derived from them have been successfully used as basic building blocks in deep artificial neural networks for automatic features extraction, unsupervised weights initialization, but also as…

Neural and Evolutionary Computing · Computer Science 2016-07-20 Decebal Constantin Mocanu , Elena Mocanu , Phuong H. Nguyen , Madeleine Gibescu , Antonio Liotta

We propose injective generative models called Trumpets that generalize invertible normalizing flows. The proposed generators progressively increase dimension from a low-dimensional latent space. We demonstrate that Trumpets can be trained…

Machine Learning · Computer Science 2023-07-25 Konik Kothari , AmirEhsan Khorashadizadeh , Maarten de Hoop , Ivan Dokmanić

This work studies approximation based on single-hidden-layer feedforward and recurrent neural networks with randomly generated internal weights. These methods, in which only the last layer of weights and a few hyperparameters are optimized,…

Probability · Mathematics 2021-02-17 Lukas Gonon , Lyudmila Grigoryeva , Juan-Pablo Ortega

Deep learning provides a powerful tool for machine perception when the observations resemble the training data. However, real-world robotic systems must react intelligently to their observations even in unexpected circumstances. This…

Machine Learning · Computer Science 2018-12-31 Rowan McAllister , Gregory Kahn , Jeff Clune , Sergey Levine

Deep directed generative models have attracted much attention recently due to their expressive representation power and the ability of ancestral sampling. One major difficulty of learning directed models with many latent variables is the…

Machine Learning · Computer Science 2015-06-16 Siqi Nie , Qiang Ji

We propose a generative model that achieves minimax-optimal convergence rates for estimating probability distributions supported on unknown low-dimensional manifolds. Building on Fefferman's solution to the geometric Whitney problem, our…

Statistics Theory · Mathematics 2025-06-25 Arthur Stéphanovitch