相关论文: Leveraging Language Representation for Material Re…

In recent years, large language models (LLM) have emerged as powerful tools for diverse natural language processing tasks. However, their potential for recommender systems under the generative recommendation paradigm remains relatively…

While word embeddings are currently predominant for natural language processing, most of existing models learn them solely from their contexts. However, these context-based word embeddings are limited since not all words' meaning can be…

Predicting material properties base on micro structure of materials has long been a challenging problem. Recently many deep learning methods have been developed for material property prediction. In this study, we propose a crystal…

We demonstrate a machine learning approach designed to extract hidden chemistry/physics to facilitate new materials discovery. In particular, we propose a novel method for learning latent knowledge from material structure data in which…

Information retrieval involves selecting artifacts from a corpus that are most relevant to a given search query. The flavor of retrieval typically used in classical applications can be termed as homogeneous and relaxed, where queries and…

Understanding structure-property relationships is an essential yet challenging aspect of materials discovery and development. To facilitate this process, recent studies in materials informatics have sought latent embedding spaces of crystal…

Application of artificial intelligence (AI) has been ubiquitous in the growth of research in the areas of basic sciences. Frequent use of machine learning (ML) and deep learning (DL) based methodologies by researchers has resulted in…

Molecular property prediction and generative design via deep learning models has been the subject of intense research given its potential to accelerate development of new, high-performance materials. More recently, these workflows have been…

Text retrieval is a long-standing research topic on information seeking, where a system is required to return relevant information resources to user's queries in natural language. From classic retrieval methods to learning-based ranking…

The advent of material databases provides an unprecedented opportunity to uncover predictive descriptors for emergent material properties from vast data space. However, common reliance on high-throughput ab initio data necessarily inherits…

Two dimensional (2D) materials have emerged as promising functional materials with many applications such as semiconductors and photovoltaics because of their unique optoelectronic properties. While several thousand 2D materials have been…

Large language models have demonstrated remarkable reasoning capabilities across diverse natural language tasks. However, comparable breakthroughs in scientific discovery are more limited, because understanding complex physical phenomena…

Recently, the remarkable capabilities of large language models (LLMs) have been illustrated across a variety of research domains such as natural language processing, computer vision, and molecular modeling. We extend this paradigm by…

Word embeddings are a popular way to improve downstream performances in contemporary language modeling. However, the underlying geometric structure of the embedding space is not well understood. We present a series of explorations using…

Deep language models learning a hierarchical representation proved to be a powerful tool for natural language processing, text mining and information retrieval. However, representations that perform well for retrieval must capture semantic…

Neural network approaches in recommender systems have shown remarkable success by representing a large set of items as a learnable vector embedding table. However, infrequent items may suffer from inadequate training opportunities, making…

With the information explosion on the Web, search and recommendation are foundational infrastructures to satisfying users' information needs. As the two sides of the same coin, both revolve around the same core research problem, matching…

We present a novel framework for user representation in large-scale recommender systems, aiming at effectively representing diverse user taste in a generalized manner. Our approach employs a two-stage methodology combining representation…

Material discovery is a critical area of research with the potential to revolutionize various fields, including carbon capture, renewable energy, and electronics. However, the immense scale of the chemical space makes it challenging to…

Discovering materials with desirable properties in an efficient way remains a significant problem in materials science. Many studies have tackled this problem by using different sets of information available about the materials. Among them,…