相关论文: SemiRetro: Semi-template framework boosts deep ret…

One paradigm for learning from few labeled examples while making best use of a large amount of unlabeled data is unsupervised pretraining followed by supervised fine-tuning. Although this paradigm uses unlabeled data in a task-agnostic way,…

Computer-assisted methods have emerged as valuable tools for retrosynthesis analysis. However, quantifying the plausibility of generated retrosynthesis routes remains a challenging task. We introduce Retro-BLEU, a statistical metric adapted…

Training deep learning models can be computationally expensive. Prior works have shown that increasing the batch size can potentially lead to better overall throughput. However, the batch size is frequently limited by the accelerator memory…

Deep-learning metrics have recently demonstrated extremely good performance to match image patches for stereo reconstruction. However, training such metrics requires large amount of labeled stereo images, which can be difficult or costly to…

Retrosynthesis analysis is a critical task in organic chemistry central to many important industries. Previously, various machine learning approaches have achieved promising results on this task by representing output molecules as strings…

Foundational Machine Learning Potentials can resolve the accuracy and transferability limitations of classical force fields. They enable microscopic insights into material behavior through Molecular Dynamics simulations, which can crucially…

Is there a unified framework for graph-based retrosynthesis prediction? Through analysis of full-, semi-, and non-template retrosynthesis methods, we discovered that they strive to strike an optimal balance between combinability and…

In deep learning, mini-batch training is commonly used to optimize network parameters. However, the traditional mini-batch method may not learn the under-represented samples and complex patterns in the data, leading to a longer time for…

This paper develops a novel machine learning-based framework using Semi-Supervised Multi-Task Learning (SS-MTL) for power system dynamic security assessment that is accurate, reliable, and aware of topological changes. The learning…

In this paper, we present a semi-supervised fine-tuning approach designed to improve the performance of pre-trained foundation models on downstream tasks with limited labeled data. By leveraging content-style decomposition within an…

Most previous neural text-to-speech (TTS) methods are mainly based on supervised learning methods, which means they depend on a large training dataset and hard to achieve comparable performance under low-resource conditions. To address this…

Semi-supervised object detection (SSOD) has made significant progress with the development of pseudo-label-based end-to-end methods. However, many of these methods face challenges due to class imbalance, which hinders the effectiveness of…

Tandem Mass Spectrometry is a cornerstone technique for identifying unknown small molecules in fields such as metabolomics, natural product discovery and environmental analysis. However, certain aspects, such as the probabilistic…

Table detection is the task of classifying and localizing table objects within document images. With the recent development in deep learning methods, we observe remarkable success in table detection. However, a significant amount of labeled…

Protein-protein interactions (PPIs) are crucial in various biological processes and their study has significant implications for drug development and disease diagnosis. Existing deep learning methods suffer from significant performance…

In visual retrieval systems, updating the embedding model requires recomputing features for every piece of data. This expensive process is referred to as backfilling. Recently, the idea of backward compatible training (BCT) was proposed. To…

Semi-Supervised Learning (SSL) has been proved to be an effective way to leverage both labeled and unlabeled data at the same time. Recent semi-supervised approaches focus on deep neural networks and have achieved promising results on…

This paper presents a systematic study on developing multi-template machine learning (ML) surrogate models and applying them to the inverse design of transformers (XFMRs) in radio-frequency integrated circuits (RFICs). Our study starts with…

The task of link prediction aims to solve the problem of incomplete knowledge caused by the difficulty of collecting facts from the real world. GCNs-based models are widely applied to solve link prediction problems due to their…

Retrosynthesis is the process of recursively decomposing target molecules into available building blocks. It plays an important role in solving problems in organic synthesis planning. To automate or assist in the retrosynthesis analysis,…