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Autoregressive generative models are commonly used, especially for those tasks involving sequential data. They have, however, been plagued by a slew of inherent flaws due to the intrinsic characteristics of chain-style conditional modeling…
Anomaly detection is referred to as a process in which the aim is to detect data points that follow a different pattern from the majority of data points. Anomaly detection methods suffer from several well-known challenges that hinder their…
Unlike most static material properties widely studied in the machine learning literature, ionic transport properties are inherently dynamic, making their fast and accurate prediction from static atomic structures challenging. The current…
We present a forward sufficient dimension reduction method for categorical or ordinal responses by extending the outer product of gradients and minimum average variance estimator to multinomial generalized linear model. Previous work in…
Neural networks are achieving state of the art and sometimes super-human performance on learning tasks across a variety of domains. Whenever these problems require learning in a continual or sequential manner, however, neural networks…
The quantification of uncertainty is important for the adoption of machine learning, especially to reject out-of-distribution (OOD) data back to human experts for review. Yet progress has been slow, as a balance must be struck between…
While data are the primary fuel for machine learning models, they often suffer from missing values, especially when collected in real-world scenarios. However, many off-the-shelf machine learning models, including artificial neural network…
Neural differential equations may be trained by backpropagating gradients via the adjoint method, which is another differential equation typically solved using an adaptive-step-size numerical differential equation solver. A proposed step is…
Neural Ordinary Differential Equations (NODEs) have proven to be a powerful modeling tool for approximating (interpolation) and forecasting (extrapolation) irregularly sampled time series data. However, their performance degrades…
Neural networks (NNs) are widely used for object classification in autonomous driving. However, NNs can fail on input data not well represented by the training dataset, known as out-of-distribution (OOD) data. A mechanism to detect OOD…
Uncertainty estimation aims to evaluate the confidence of a trained deep neural network. However, existing uncertainty estimation approaches rely on low-dimensional distributional assumptions and thus suffer from the high dimensionality of…
Explicit deep generative models (DGMs), e.g., VAEs and Normalizing Flows, have shown to offer an effective data modelling alternative for lossless compression. However, DGMs themselves normally require large storage space and thus…
Class-conditional generative models have emerged as accurate and robust classifiers, with diffusion models demonstrating clear advantages over other visual generative paradigms, including autoregressive (AR) models. In this work, we revisit…
Gradient-based learning algorithms have an implicit simplicity bias which in effect can limit the diversity of predictors being sampled by the learning procedure. This behavior can hinder the transferability of trained models by (i)…
We explore in detail a method to solve ordinary differential equations using feedforward neural networks. We prove a specific loss function, which does not require knowledge of the exact solution, to be a suitable standard metric to…
Training of deep neural networks (DNNs) frequently involves optimizing several millions or even billions of parameters. Even with modern computing architectures, the computational expense of DNN training can inhibit, for instance, network…
Autoregressively trained transformers have brought a profound revolution to the world, especially with their in-context learning (ICL) ability to address downstream tasks. Recently, several studies suggest that transformers learn a…
Ordinal regression is a classification task where classes have an order and prediction error increases the further the predicted class is from the true class. The standard approach for modeling ordinal data involves fitting parallel…
To acquire a new skill, humans learn better and faster if a tutor, based on their current knowledge level, informs them of how much attention they should pay to particular content or practice problems. Similarly, a machine learning model…
We consider the problem of learning Variational Autoencoders (VAEs), i.e., a type of deep generative model, from data with missing values. Such data is omnipresent in real-world applications of machine learning because complete data is…