相关论文: Transfer Learning in Materials Informatics: struct…

Transfer learning is widely used to adapt large pretrained models to new tasks with only a small amount of new data. However, a challenge persists -- the features from the original task often do not fully cover what is needed for unseen…

This study addresses the challenge of accurately identifying multi-task contention types in high-dimensional system environments and proposes a unified contention classification framework that integrates representation transformation,…

In this paper we derive an efficient algorithm to learn the parameters of structured predictors in general graphical models. This algorithm blends the learning and inference tasks, which results in a significant speedup over traditional…

The success of machine learning (ML) in materials property prediction depends heavily on how the materials are represented for learning. Two dominant families of material descriptors exist, one that encodes crystal structure in the…

Machine Learning (ML) potentials such as Gaussian Approximation Potential (GAP) have demonstrated impressive capabilities in mapping structure to properties across diverse systems. Here, we introduce a GAP model for low-dimensional Ni…

Accurate knowledge of the atomistic transition pathways in materials and material surfaces is crucial for many material science problems. However, conventional simulation techniques used to find these transitions are extremely…

In recent years, representation learning approaches have disrupted many multimedia computing tasks. Among those approaches, deep convolutional neural networks (CNNs) have notably reached human level expertise on some constrained image…

Machine learning has emerged as a powerful approach in materials discovery. Its major challenge is selecting features that create interpretable representations of materials, useful across multiple prediction tasks. We introduce an…

Various machine learning models have been used to predict the properties of polycrystalline materials, but none of them directly consider the physical interactions among neighboring grains despite such microscopic interactions critically…

Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure…

Despite remarkable progress in computer vision, modern recognition systems remain fundamentally limited by their dependence on rich, redundant visual inputs. In contrast, humans can effortlessly understand sparse, minimal representations…

Contrastive Vision-Language Pre-training(CLIP) demonstrates impressive zero-shot capability. The key to improve the adaptation of CLIP to downstream task with few exemplars lies in how to effectively model and transfer the useful knowledge…

Transfer learning is a vital technique that generalizes models trained for one setting or task to other settings or tasks. For example in speech recognition, an acoustic model trained for one language can be used to recognize speech in…

This work presents a naive algorithm for parameter transfer between different architectures with a computationally cheap injection technique (which does not require data). The primary objective is to speed up the training of neural networks…

Recent years have witnessed growing interests in multimedia recommendation, which aims to predict whether a user will interact with an item with multimodal contents. Previous studies focus on modeling user-item interactions with multimodal…

Deep learning algorithms excel at extracting patterns from raw data, and with large datasets, they have been very successful in computer vision and natural language applications. However, in other domains, large datasets on which to learn…

Twisted layered van-der-Waals materials often exhibit unique electronic and optical properties absent in their non-twisted counterparts. Unfortunately, predicting such properties is hindered by the difficulty in determining the atomic…

Structure determination is key to understanding protein function at a molecular level. Whilst significant advances have been made in predicting structure and function from amino acid sequence, researchers must still rely on expensive,…

Recent developments in neural networks have shown the potential of estimating drag on irregular rough surfaces. Nevertheless, the difficulty of obtaining a large high-fidelity dataset to train neural networks is deterring their use in…

Pretraining plays a pivotal role in acquiring generalized knowledge from large-scale data, achieving remarkable successes as evidenced by large models in CV and NLP. However, progress in the graph domain remains limited due to fundamental…