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Motivation: The scalable identification of bioactive compounds is essential for contemporary drug discovery. This process faces a key trade-off: structural screening offers scalability but lacks biological context, whereas high-content…
Collecting labeled data for many important tasks in chemoinformatics is time consuming and requires expensive experiments. In recent years, machine learning has been used to learn rich representations of molecules using large scale…
The treatment effects of medications play a key role in guiding medical prescriptions. They are usually assessed with randomized controlled trials (RCTs), which are expensive. Recently, large-scale electronic health records (EHRs) have…
Despite advances in deep probabilistic models, learning discrete latent representations remains challenging. This work introduces a novel method to improve inference in discrete Variational Autoencoders by reframing the inference problem…
We introduce Post-DAE, a post-processing method based on denoising autoencoders (DAE) to improve the anatomical plausibility of arbitrary biomedical image segmentation algorithms. Some of the most popular segmentation methods (e.g. based on…
While unsupervised variational autoencoders (VAE) have become a powerful tool in neuroimage analysis, their application to supervised learning is under-explored. We aim to close this gap by proposing a unified probabilistic model for…
Electroencephalography (EEG) signals are frequently used for various Brain-Computer Interface (BCI) tasks. While Deep Learning (DL) techniques have shown promising results, they are hindered by the substantial data requirements. By…
Discretization invariant learning aims at learning in the infinite-dimensional function spaces with the capacity to process heterogeneous discrete representations of functions as inputs and/or outputs of a learning model. This paper…
Error-bounded lossy compression is becoming an indispensable technique for the success of today's scientific projects with vast volumes of data produced during simulations or instrument data acquisitions. Not only can it significantly…
Increasingly many real world tasks involve data in multiple modalities or views. This has motivated the development of many effective algorithms for learning a common latent space to relate multiple domains. However, most existing…
This paper introduces a hybrid attention and autoencoder (AE) model for unsupervised online anomaly detection in time series. The autoencoder captures local structural patterns in short embeddings, while the attention model learns long-term…
In this paper a robust algorithm for DOA estimation of coherent sources in presence of antenna array imperfections is presented. We exploit the current advances of deep learning to overcome two of the most common problems facing the state…
Understanding the coordinated activity underlying brain computations requires large-scale, simultaneous recordings from distributed neuronal structures at a cellular-level resolution. One major hurdle to design high-bandwidth,…
Recent work shows that Sparse Autoencoders (SAE) applied to large language model (LLM) layers have neurons corresponding to interpretable concepts. These SAE neurons can be modified to align generated outputs, but only towards…
Estimation of Distribution Algorithms (EDAs) require flexible probability models that can be efficiently learned and sampled. Autoencoders (AE) are generative stochastic networks with these desired properties. We integrate a special type of…
Over the last few years, graph autoencoders (AE) and variational autoencoders (VAE) emerged as powerful node embedding methods, with promising performances on challenging tasks such as link prediction and node clustering. Graph AE, VAE and…
Machine learning on trees has been mostly focused on trees as input to algorithms. Much less research has investigated trees as output, which has many applications, such as molecule optimization for drug discovery, or hint generation for…
Human computer interaction (HCI) involves a multidisciplinary fusion of technologies, through which the control of external devices could be achieved by monitoring physiological status of users. However, physiological biosignals often vary…
As in many fields of medical research, survival analysis has witnessed a growing interest in the application of deep learning techniques to model complex, high-dimensional, heterogeneous, incomplete, and censored medical data. Current…
Graph autoencoders (AE) and variational autoencoders (VAE) recently emerged as powerful node embedding methods, with promising performances on challenging tasks such as link prediction and node clustering. Graph AE, VAE and most of their…