相关论文: Extracting Molecular Properties from Natural Langu…

The embedding of Biomedical Knowledge Graphs (BKGs) generates robust representations, valuable for a variety of artificial intelligence applications, including predicting drug combinations and reasoning disease-drug relationships.…

Pre-trained language models have proven their unique powers in capturing implicit language features. However, most pre-training approaches focus on the word-level training objective, while sentence-level objectives are rarely studied. In…

Decoding from the output distributions of large language models to produce high-quality text is a complex challenge in language modeling. Various approaches, such as beam search, sampling with temperature, $k-$sampling, nucleus…

A key challenge in training neural networks for a given medical imaging task is often the difficulty of obtaining a sufficient number of manually labeled examples. In contrast, textual imaging reports, which are often readily available in…

Recent progress in Graph Neural Networks (GNNs) has greatly enhanced the ability to model complex molecular structures for predicting properties. Nevertheless, molecular data encompasses more than just graph structures, including textual…

We introduce a self-supervised approach for learning node and graph level representations by contrasting structural views of graphs. We show that unlike visual representation learning, increasing the number of views to more than two or…

Subgraph representation learning based on Graph Neural Network (GNN) has exhibited broad applications in scientific advancements, such as predictions of molecular structure-property relationships and collective cellular function. In…

Chart question answering (ChartQA) is challenged by the heterogeneous composition of chart elements and the subtle data patterns they encode. This work introduces a novel joint multimodal scene graph framework that explicitly models the…

Recent works in self-supervised learning have advanced the state-of-the-art by relying on the contrastive learning paradigm, which learns representations by pushing positive pairs, or similar examples from the same class, closer together…

Molecular property prediction refers to the task of labeling molecules with some biochemical properties, playing a pivotal role in the drug discovery and design process. Recently, with the advancement of machine learning, deep…

Graph contrastive learning has emerged as a powerful technique for learning graph representations that are robust and discriminative. However, traditional approaches often neglect the critical role of subgraph structures, particularly the…

The rapid expansion of genomic sequence data calls for new methods to achieve robust sequence representations. Existing techniques often neglect intricate structural details, emphasizing mainly contextual information. To address this, we…

This paper focuses on learning representation on the whole graph level in an unsupervised manner. Learning graph-level representation plays an important role in a variety of real-world issues such as molecule property prediction, protein…

The performance of sentence encoders can be significantly improved through the simple practice of fine-tuning using contrastive loss. A natural question arises: what characteristics do models acquire during contrastive learning? This paper…

Automatic radiology reporting has great clinical potential to relieve radiologists from heavy workloads and improve diagnosis interpretation. Recently, researchers have enhanced data-driven neural networks with medical knowledge graphs to…

Since the introduction of artificial intelligence in medicinal chemistry, the necessity has emerged to analyse how molecular property variation is modulated by either single atoms or chemical groups. In this paper, we propose to train…

Recently supervised machine learning has been ascending in providing new predictive approaches for chemical, biological and materials sciences applications. In this Perspective we focus on the interplay of machine learning algorithm with…

Molecules with identical graph connectivity can exhibit different physical and biological properties if they exhibit stereochemistry-a spatial structural characteristic. However, modern neural architectures designed for learning…

Speech emotion recognition is a challenge and an important step towards more natural human-computer interaction (HCI). The popular approach is multimodal emotion recognition based on model-level fusion, which means that the multimodal…

A molecule's geometry, also known as conformation, is one of a molecule's most important properties, determining the reactions it participates in, the bonds it forms, and the interactions it has with other molecules. Conventional…