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We present an interpretability framework for unsupervised reinforcement learning (URL) agents, aimed at understanding how intrinsic motivation shapes attention, behavior, and representation learning. We analyze five agents DQN, RND, ICM,…

Transformer, an attention-based encoder-decoder model, has already revolutionized the field of natural language processing (NLP). Inspired by such significant achievements, some pioneering works have recently been done on employing…

Distributed radar sensors enable robust human activity recognition. However, scaling the number of coordinated nodes introduces challenges in feature extraction from large datasets, and transparent data fusion. We propose an end-to-end…

Progress in the biomedical field through the use of deep learning is hindered by the lack of interpretability of the models. In this paper, we study the RETAIN architecture for the forecasting of future glucose values for diabetic people.…

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

Graph Neural Networks (GNNs) are the dominant architecture for molecular machine learning, particularly for molecular property prediction and machine learning interatomic potentials (MLIPs). GNNs perform message passing on predefined graphs…

Transformer models achieve state-of-the-art performance across domains and tasks, yet their deeply layered representations make their predictions difficult to interpret. Existing explainability methods rely on final-layer attributions,…

Early cancer detection remains one of the most critical challenges in modern healthcare, where delayed diagnosis significantly reduces survival outcomes. Recent advancements in artificial intelligence, particularly deep learning, have…

Equivariant Graph Neural Networks (EGNNs) have become a widely used approach for modeling 3D atomistic systems. However, mainstream architectures face critical scalability bottlenecks due to the explicit construction of geometric features…

Geometric deep learning has demonstrated a great potential in non-Euclidean data analysis. The incorporation of geometric insights into learning architecture is vital to its success. Here we propose a curvature-enhanced graph convolutional…

Clinical cystoscopy, the current standard for bladder cancer diagnosis, suffers from significant reliance on physician expertise, leading to variability and subjectivity in diagnostic outcomes. There is an urgent need for objective,…

The attention mechanism is a core component of the Transformer architecture. Beyond improving performance, attention has been proposed as a mechanism for explainability via attention weights, which are associated with input features (e.g.,…

Transformers are central to recent successes in natural language processing and computer vision. Transformers have a mostly uniform backbone where layers alternate between feed-forward and self-attention in order to build a deep network.…

Transformer architecture has become ubiquitous in the natural language processing field. To interpret the Transformer-based models, their attention patterns have been extensively analyzed. However, the Transformer architecture is not only…

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional…

Magnetic resonance imaging (MRI) is critically important for brain mapping in both scientific research and clinical studies. Precise segmentation of brain tumors facilitates clinical diagnosis, evaluations, and surgical planning. Deep…

A deep Transformer model with good evaluation score does not mean each subnetwork (a.k.a transformer block) learns reasonable representation. Diagnosing abnormal representation and avoiding it can contribute to achieving a better evaluation…

Organic synthesis is one of the key stumbling blocks in medicinal chemistry. A necessary yet unsolved step in planning synthesis is solving the forward problem: given reactants and reagents, predict the products. Similar to other work, we…

Current biological AI models lack interpretability -- their internal representations do not correspond to biological relationships that researchers can examine. Understanding gene regulation requires models whose learned structure can be…