相关论文: Ontology Pre-training for Poison Prediction

Various natural language processing tasks are structured prediction problems where outputs are constructed with multiple interdependent decisions. Past work has shown that domain knowledge, framed as constraints over the output space, can…

Reference ontologies provide a shared vocabulary and knowledge resource for their domain. Manual construction enables them to maintain a high quality, allowing them to be widely accepted across their community. However, the manual…

Although neural networks (especially deep neural networks) have achieved \textit{better-than-human} performance in many fields, their real-world deployment is still questionable due to the lack of awareness about the limitation in their…

Toxicity prediction of chemical compounds is a grand challenge. Lately, it achieved significant progress in accuracy but using a huge set of features, implementing a complex blackbox technique such as a deep neural network, and exploiting…

Knowledge embedded in the weights of the artificial neural network can be used to improve the network structure, such as in network compression. However, the knowledge is set up by hand, which may not be very accurate, and relevant…

Efficiency and scalability are obstacles that have not yet received a viable response from the human activity recognition research community. This paper proposes an activity recognition method. The knowledge model is in the form of…

Reliable molecular property prediction is essential for various scientific endeavors and industrial applications, such as drug discovery. However, the data scarcity, combined with the highly non-linear causal relationships between…

We investigate what kind of structural knowledge learned in neural network encoders is transferable to processing natural language. We design artificial languages with structural properties that mimic natural language, pretrain encoders on…

Neural networks are among the most accurate supervised learning methods in use today. However, their opacity makes them difficult to trust in critical applications, especially when conditions in training may differ from those in practice.…

Stratifying cancer patients based on their gene expression levels allows improving diagnosis, survival analysis and treatment planning. However, such data is extremely highly dimensional as it contains expression values for over 20000 genes…

We have created a knowledge graph based on major data sources used in ecotoxicological risk assessment. We have applied this knowledge graph to an important task in risk assessment, namely chemical effect prediction. We have evaluated nine…

OTTR is a language for representing ontology modeling patterns, which enables to build ontologies or knowledge bases by instantiating templates. Thereby, particularities of the ontological representation language are hidden from the domain…

We present a survey of ways in which existing scientific knowledge are included when constructing models with neural networks. The inclusion of domain-knowledge is of special interest not just to constructing scientific assistants, but…

Pre-training and fine-tuning have achieved great success in the natural language process field. The standard paradigm of exploiting them includes two steps: first, pre-training a model, e.g. BERT, with a large scale unlabeled monolingual…

We tackle the task of enriching ontologies by automatically translating natural language sentences into Description Logic. Since Large Language Models (LLMs) are the best tools for translations, we fine-tuned a GPT-3 model to convert…

Research aimed at scaling up neuroscience inspired learning algorithms for neural networks is accelerating. Recently, a key research area has been the study of energy-based learning algorithms such as predictive coding, due to their…

To what extent can a neural network systematically reason over symbolic facts? Evidence suggests that large pre-trained language models (LMs) acquire some reasoning capacity, but this ability is difficult to control. Recently, it has been…

Machine learning approaches have become popular for molecular modeling tasks, including molecular force fields and properties prediction. Traditional supervised learning methods suffer from scarcity of labeled data for particular tasks,…

While neural networks are good at learning unspecified functions from training samples, they cannot be directly implemented in hardware and are often not interpretable or formally verifiable. On the other hand, logic circuits are…

Molecular property prediction is an increasingly critical task within drug discovery and development. Typically, neural networks can learn molecular properties using graph-based, language-based or feature-based methods. Recent advances in…