相关论文: AROMMA: Unifying Olfactory Embeddings for Single M…

Olfaction lies at the intersection of chemical structure, neural encoding, and linguistic perception, yet existing representation methods fail to fully capture this pathway. Current approaches typically model only isolated segments of the…

Learning high-quality feature embeddings efficiently and effectively is critical for the performance of web-scale machine learning systems. A typical model ingests hundreds of features with vocabularies on the order of millions to billions…

Drug discovery is crucial for identifying candidate drugs for various diseases.However, its low success rate often results in a scarcity of annotations, posing a few-shot learning problem. Existing methods primarily focus on single-scale…

We explore a suite of generative modelling techniques to efficiently navigate and explore the complex landscapes of odor and the broader chemical space. Unlike traditional approaches, we not only generate molecules but also predict the odor…

Odor-based Molecular Communication (OMC) employs odor molecules to convey information, contributing to the realization of the Internet of Everything (IoE) vision. Despite this, the practical deployment of OMC systems is currently limited by…

The integration of biological principles into artificial olfactory systems has led to significant advancements in odor detection and classification. Inspired by the intricate mechanisms of natural olfaction, researchers are developing…

The goal of protein representation learning is to extract knowledge from protein databases that can be applied to various protein-related downstream tasks. Although protein sequence, structure, and function are the three key modalities for…

The study of food pairing has evolved beyond subjective expertise with the advent of machine learning. This paper presents FlavorDiffusion, a novel framework leveraging diffusion models to predict food-chemical interactions and ingredient…

Learning to automatically perceive smell is becoming increasingly important with applications in monitoring the quality of food and drinks for healthy living. In todays age of proliferation of internet of things devices, the deployment of…

Materials discovery requires navigating vast chemical and structural spaces while satisfying multiple, often conflicting, objectives. We present LLM-guided Evolution for MAterials discovery (LLEMA), a unified framework that couples the…

Molecular odor prediction is the process of using a molecule's structure to predict its smell. While accurate prediction remains challenging, AI models can suggest potential odors. Existing methods, however, often rely on basic descriptors…

Despite significant progress on multi-agent reinforcement learning (MARL) in recent years, coordination in complex domains remains a challenge. Work in MARL often focuses on solving tasks where agents interact with all other agents and…

Unsupervised domain adaptation (UDA) enables semantic segmentation models to generalize from a labeled source domain to an unlabeled target domain. However, existing UDA methods still struggle to bridge the domain gap due to cross-domain…

Universal domain adaptation aims to align the classes and reduce the feature gap between the same category of the source and target domains. The target private category is set as the unknown class during the adaptation process, as it is not…

The prediction of absorption, distribution, metabolism, excretion, and toxicity (ADMET) of small molecules from their molecular structure is a central problem in medicinal chemistry with great practical importance in drug discovery.…

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…

The formation of aerosol particles in the atmosphere impacts air quality and climate change, but many of the organic molecules involved remain unknown. Machine learning could aid in identifying these compounds through accelerated analysis…

We present a model of an olfactory system that performs odor segmentation. Based on the anatomy and physiology of natural olfactory systems, it consists of a pair of coupled modules, bulb and cortex. The bulb encodes the odor inputs as…

Olfaction, often overlooked in cultural heritage studies, holds profound significance in shaping human experiences and identities. Examining historical depictions of olfactory scenes can offer valuable insights into the role of smells in…

Word embeddings are effective intermediate representations for capturing semantic regularities between words, when learning the representations of text sequences. We propose to view text classification as a label-word joint embedding…