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This work focuses on developing parameter-efficient and lightweight models for dense predictions while trading off parameters, FLOPs, and performance. Our goal is to set up the new frontier of the 5M magnitude lightweight model on various…
In silico prediction of drug-target interactions (DTI) is significant for drug discovery because it can largely reduce timelines and costs in the drug development process. Specifically, deep learning-based DTI approaches have been shown…
Over the past decade, Deep Convolutional Neural Networks have been widely adopted for medical image segmentation and shown to achieve adequate performance. However, due to the inherent inductive biases present in the convolutional…
Attention Deficit Hyperactivity Disorder (ADHD) is a prevalent neurodevelopmental disorder with limited objective diagnostic tools, highlighting the urgent need for objective, biology-based diagnostic frameworks in precision psychiatry. We…
Automated detection of curvilinear structures, e.g., blood vessels or nerve fibres, from medical and biomedical images is a crucial early step in automatic image interpretation associated to the management of many diseases. Precise…
Explainability for Deep Learning Models is especially important for clinical applications, where decisions of automated systems have far-reaching consequences. While various post-hoc explainable methods, such as attention visualization and…
Temporal convolutions have been the paradigm of choice in action segmentation, which enhances long-term receptive fields by increasing convolution layers. However, high layers cause the loss of local information necessary for frame…
Understanding how small molecules perturb gene expression is essential for uncovering drug mechanisms, predicting off-target effects, and identifying repurposing opportunities. While prior deep learning frameworks have integrated multimodal…
As the core building block of vision transformers, attention is a powerful tool to capture long-range dependency. However, such power comes at a cost: it incurs a huge computation burden and heavy memory footprint as pairwise token…
In the last decade, machine learning and artificial intelligence applications have received a significant boost in performance and attention in both academic research and industry. The success behind most of the recent state-of-the-art…
Soybean leaf disease detection is critical for agricultural productivity but faces challenges due to visually similar symptoms and limited interpretability in conventional methods. While Convolutional Neural Networks (CNNs) excel in spatial…
Transformers have become one of the dominant architectures in deep learning, particularly as a powerful alternative to convolutional neural networks (CNNs) in computer vision. However, Transformer training and inference in previous works…
Applying deep learning concepts from image detection and graph theory has greatly advanced protein-ligand binding affinity prediction, a challenge with enormous ramifications for both drug discovery and protein engineering. We build upon…
Carbapenemase-Producing Enterobacteriace poses a critical concern for infection prevention and control in hospitals. However, predictive modeling of previously highlighted CPE-associated risks such as readmission, mortality, and extended…
Accurate prediction of binding sites of a given protein, to which ligands can bind, is a critical step in structure-based computational drug discovery. Recently, Equivariant Graph Neural Networks (GNNs) have emerged as a powerful paradigm…
While sophisticated numerical methods for studying equilibrium states have well advanced, quantitative predictions of kinetic behaviour remain challenging. We introduce a reactant-to-barrier (R2B) machine learning model that rapidly and…
Human brains are commonly modeled as networks of Regions of Interest (ROIs) and their connections for the understanding of brain functions and mental disorders. Recently, Transformer-based models have been studied over different types of…
Explainability is key to enhancing artificial intelligence's trustworthiness in medicine. However, several issues remain concerning the actual benefit of explainable models for clinical decision-making. Firstly, there is a lack of consensus…
We present an end-to-end, interpretable, deep-learning architecture to learn a graph kernel that predicts the outcome of chronic disease drug prescription. This is achieved through a deep metric learning collaborative with a Support Vector…
Recently, the transformer model has been successfully employed for the multi-view 3D reconstruction problem. However, challenges remain on designing an attention mechanism to explore the multiview features and exploit their relations for…