Boltzmann machines are powerful distributions that have been shown to be an effective prior over binary latent variables in variational autoencoders (VAEs).

Boltzmann machines are powerful distributions that have been shown to be an effective prior over binary latent variables in variational autoencoders (VAEs). However, previous methods for training discrete VAEs have used the evidence lower bound and not the tighter importance-weighted bound. We propose two approaches for relaxing Boltzmann machines to continuous distributions that permit training with importance-weighted bounds. These relaxations are based on generalized overlapping transformations and the Gaussian integral trick. Experiments on the MNIST and OMNIGLOT datasets show that these relaxations outperform previous discrete VAEs with Boltzmann priors. An implementation which reproduces these results is available.

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Predicting external hand load from sensor data is essential for ergonomic exposure assessments, as obtaining this information typically requires direct observation or supplementary data. While machine learning methods have been used to estimate external hand load from worker postures or force exertion data, our findings reveal systematic bias in these predictions due to individual differences such as age and biological sex. To explore this issue, we examined bias in hand load prediction by varying the sex ratio in the training dataset. We found substantial sex disparity in predictive performance, especially when the training dataset is more sex-imbalanced. To address this bias, we developed and evaluated a fair predictive model for hand load estimation that leverages a Variational Autoencoder (VAE) with feature disentanglement. This approach is designed to separate sex-agnostic and sex-specific latent features, minimizing feature overlap. The disentanglement capability enables the model to make predictions based solely on sex-agnostic features of motion patterns, ensuring fair prediction for both biological sexes. Our proposed fair algorithm outperformed conventional machine learning methods (e.g., Random Forests) in both fairness and predictive accuracy, achieving a lower mean absolute error (MAE) difference across male and female sets and improved fairness metrics such as statistical parity (SP) and positive and negative residual differences (PRD and NRD), even when trained on imbalanced sex datasets. These findings emphasize the importance of fairness-aware machine learning algorithms to prevent potential disadvantages in workplace health and safety for certain worker populations.

Despite significant advancements in deep probabilistic models, learning low-dimensional discrete latent representations remains a challenging task. In this paper, we introduce a novel method that enhances variational inference in discrete latent variable models by leveraging Error Correcting Codes (ECCs) to introduce redundancy in the latent representations. This redundancy is then exploited by the variational posterior to yield more accurate estimates, thereby narrowing the variational gap. Inspired by ECCs commonly used in digital communications and data storage, we demonstrate proof-of-concept using a Discrete Variational Autoencoder (DVAE) with binary latent variables and block repetition codes. We further extend this idea to a hierarchical structure based on polar codes, where certain latent bits are more robustly protected. Our method improves generation quality, data reconstruction, and uncertainty calibration compared to the uncoded DVAE, even when trained with tighter bounds such as the Importance Weighted Autoencoder (IWAE) objective. In particular, we demonstrate superior performance on MNIST, FMNIST, CIFAR10, and Tiny ImageNet datasets. The general approach of integrating ECCs into variational inference is compatible with existing techniques to boost variational inference, such as importance sampling or Hamiltonian Monte Carlo. We also outline the key properties ECCs must have to effectively enhance discrete variational inference.

Deep generative chemistry models emerge as powerful tools to expedite drug discovery. However, the immense size and complexity of the structural space of all possible drug-like molecules pose significant obstacles, which could be overcome with hybrid architectures combining quantum computers with deep classical networks. As the first step toward this goal, we built a compact discrete variational autoencoder (DVAE) with a Restricted Boltzmann Machine (RBM) of reduced size in its latent layer. The size of the proposed model was small enough to fit on a state-of-the-art D-Wave quantum annealer and allowed training on a subset of the ChEMBL dataset of biologically active compounds. Finally, we generated 2331 novel chemical structures with medicinal chemistry and synthetic accessibility properties in the ranges typical for molecules from ChEMBL. The presented results demonstrate the feasibility of using already existing or soon-to-be-available quantum computing devices as testbeds for future drug discovery applications.

One of the fundamental challenges in causal inference is to estimate the causal effect of a treatment on its outcome of interest from observational data. However, causal effect estimation often suffers from the impacts of confounding bias caused by unmeasured confounders that affect both the treatment and the outcome. The instrumental variable (IV) approach is a powerful way to eliminate the confounding bias from latent confounders. However, the existing IV-based estimators require a nominated IV, and for a conditional IV (CIV) the corresponding conditioning set too, for causal effect estimation. This limits the application of IV-based estimators. In this paper, by leveraging the advantage of disentangled representation learning, we propose a novel method, named DVAE.CIV, for learning and disentangling the representations of CIV and the representations of its conditioning set for causal effect estimations from data with latent confounders. Extensive experimental results on both synthetic and real-world datasets demonstrate the superiority of the proposed DVAE.CIV method against the existing causal effect estimators.

Deep generative learning cannot only be used for generating new data with statistical characteristics derived from input data but also for anomaly detection, by separating nominal and anomalous instances based on their reconstruction quality. In this paper, we explore the performance of three unsupervised deep generative models -- variational autoencoders (VAEs) with Gaussian, Bernoulli, and Boltzmann priors -- in detecting anomalies in flight-operations data of commercial flights consisting of multivariate time series. We devised two VAE models with discrete latent variables (DVAEs), one with a factorized Bernoulli prior and one with a restricted Boltzmann machine (RBM) as prior, because of the demand for discrete-variable models in machine-learning applications and because the integration of quantum devices based on two-level quantum systems requires such models. The DVAE with RBM prior, using a relatively simple -- and classically or quantum-mechanically enhanceable -- sampling technique for the evolution of the RBM's negative phase, performed better than the Bernoulli DVAE and on par with the Gaussian model, which has a continuous latent space. Our studies demonstrate the competitiveness of a discrete deep generative model with its Gaussian counterpart on anomaly-detection tasks. Moreover, the DVAE model with RBM prior can be easily integrated with quantum sampling by outsourcing its generative process to measurements of quantum states obtained from a quantum annealer or gate-model device.

The first version of DALL·E was a GPT-3 style transformer decoder that autoregressively generated a 256 256 image based on textual input and an optional beginning of the image. If you want to understand how a GPT-like transformer works, here is a great visual explanation by Jay Alammar. A text is encoded by BPE-tokens (max. Because of the dVAE, some details and high-frequency features are lost in generated images, so some blurriness and smoothness are the features of the DALL·E-generated images. The transformer is a large model with 12B parameters. It consisted of 64 sparse transformer blocks with a complicated set of attention mechanisms inside, consisting of 1) classical text-to-text masked attention, 2) image-to-text attention, and 3) image-to-image sparse attention.

Boltzmann machines are powerful distributions that have been shown to be an effective prior over binary latent variables in variational autoencoders (VAEs). However, previous methods for training discrete VAEs have used the evidence lower bound and not the tighter importance-weighted bound. We propose two approaches for relaxing Boltzmann machines to continuous distributions that permit training with importance-weighted bounds. These relaxations are based on generalized overlapping transformations and the Gaussian integral trick. Experiments on the MNIST and OMNIGLOT datasets show that these relaxations outperform previous discrete VAEs with Boltzmann priors.