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A Self-feedback Knowledge Elicitation Approach for Chemical Reaction Predictions

arXiv.org Artificial Intelligence

The task of chemical reaction predictions (CRPs) plays a pivotal role in advancing drug discovery and material science. However, its effectiveness is constrained by the vast and uncertain chemical reaction space and challenges in capturing reaction selectivity, particularly due to existing methods' limitations in exploiting the data's inherent knowledge. To address these challenges, we introduce a data-curated self-feedback knowledge elicitation approach. This method starts from iterative optimization of molecular representations and facilitates the extraction of knowledge on chemical reaction types (RTs). Then, we employ adaptive prompt learning to infuse the prior knowledge into the large language model (LLM). As a result, we achieve significant enhancements: a 14.2% increase in retrosynthesis prediction accuracy, a 74.2% rise in reagent prediction accuracy, and an expansion in the model's capability for handling multi-task chemical reactions. This research offers a novel paradigm for knowledge elicitation in scientific research and showcases the untapped potential of LLMs in CRPs.


Vision-Language Models for Medical Report Generation and Visual Question Answering: A Review

arXiv.org Artificial Intelligence

Medical vision-language models (VLMs) combine computer vision (CV) and natural language processing (NLP) to analyze visual and textual medical data. Our paper reviews recent advancements in developing VLMs specialized for healthcare, focusing on models designed for medical report generation and visual question answering (VQA). We provide background on NLP and CV, explaining how techniques from both fields are integrated into VLMs to enable learning from multimodal data. Key areas we address include the exploration of medical vision-language datasets, in-depth analyses of architectures and pre-training strategies employed in recent noteworthy medical VLMs, and comprehensive discussion on evaluation metrics for assessing VLMs' performance in medical report generation and VQA. We also highlight current challenges and propose future directions, including enhancing clinical validity and addressing patient privacy concerns. Overall, our review summarizes recent progress in developing VLMs to harness multimodal medical data for improved healthcare applications.


Dynamic fault detection and diagnosis of industrial alkaline water electrolyzer process with variational Bayesian dictionary learning

arXiv.org Artificial Intelligence

Alkaline Water Electrolysis (AWE) is one of the simplest green hydrogen production method using renewable energy. AWE system typically yields process variables that are serially correlated and contaminated by measurement uncertainty. A novel robust dynamic variational Bayesian dictionary learning (RDVDL) monitoring approach is proposed to improve the reliability and safety of AWE operation. RDVDL employs a sparse Bayesian dictionary learning to preserve the dynamic mechanism information of AWE process which allows the easy interpretation of fault detection results. To improve the robustness to measurement uncertainty, a low-rank vector autoregressive (VAR) method is derived to reliably extract the serial correlation from process variables. The effectiveness of the proposed approach is demonstrated with an industrial hydrogen production process, and RDVDL can efficiently detect and diagnose critical AWE faults.


Assessing Climate Transition Risks in the Colombian Processed Food Sector: A Fuzzy Logic and Multicriteria Decision-Making Approach

arXiv.org Artificial Intelligence

Climate risk assessment is becoming increasingly important. For organisations, identifying and assessing climate-related risks is challenging, as they can come from multiple sources. This study identifies and assesses the main climate transition risks in the colombian processed food sector. As transition risks are vague, our approach uses Fuzzy Logic and compares it to various multi-criteria decision-making methods to classify the different climate transition risks an organisation may be exposed to. This approach allows us to use linguistic expressions for risk analysis and to better describe risks and their consequences. The results show that the risks ranked as the most critical for this organisation in their order were price volatility and raw materials availability, the change to less carbon-intensive production or consumption patterns, the increase in carbon taxes and technological change, and the associated development or implementation costs. These risks show a critical risk level, which implies that they are the most significant risks for the organisation in the case study. These results highlight the importance of investments needed to meet regulatory requirements, which are the main drivers for organisations at the financial level.


Improving Health Question Answering with Reliable and Time-Aware Evidence Retrieval

arXiv.org Artificial Intelligence

In today's digital world, seeking answers to health questions on the Internet is a common practice. However, existing question answering (QA) systems often rely on using pre-selected and annotated evidence documents, thus making them inadequate for addressing novel questions. Our study focuses on the open-domain QA setting, where the key challenge is to first uncover relevant evidence in large knowledge bases. By utilizing the common retrieve-then-read QA pipeline and PubMed as a trustworthy collection of medical research documents, we answer health questions from three diverse datasets. We modify different retrieval settings to observe their influence on the QA pipeline's performance, including the number of retrieved documents, sentence selection process, the publication year of articles, and their number of citations. Our results reveal that cutting down on the amount of retrieved documents and favoring more recent and highly cited documents can improve the final macro F1 score up to 10%. We discuss the results, highlight interesting examples, and outline challenges for future research, like managing evidence disagreement and crafting user-friendly explanations.


AnnoCTR: A Dataset for Detecting and Linking Entities, Tactics, and Techniques in Cyber Threat Reports

arXiv.org Artificial Intelligence

Monitoring the threat landscape to be aware of actual or potential attacks is of utmost importance to cybersecurity professionals. Information about cyber threats is typically distributed using natural language reports. Natural language processing can help with managing this large amount of unstructured information, yet to date, the topic has received little attention. With this paper, we present AnnoCTR, a new CC-BY-SA-licensed dataset of cyber threat reports. The reports have been annotated by a domain expert with named entities, temporal expressions, and cybersecurity-specific concepts including implicitly mentioned techniques and tactics. Entities and concepts are linked to Wikipedia and the MITRE ATT&CK knowledge base, the most widely-used taxonomy for classifying types of attacks. Prior datasets linking to MITRE ATT&CK either provide a single label per document or annotate sentences out-of-context; our dataset annotates entire documents in a much finer-grained way. In an experimental study, we model the annotations of our dataset using state-of-the-art neural models. In our few-shot scenario, we find that for identifying the MITRE ATT&CK concepts that are mentioned explicitly or implicitly in a text, concept descriptions from MITRE ATT&CK are an effective source for training data augmentation.


A Survey on the Integration of Generative AI for Critical Thinking in Mobile Networks

arXiv.org Artificial Intelligence

In the near future, mobile networks are expected to broaden their services and coverage to accommodate a larger user base and diverse user needs. Thus, they will increasingly rely on artificial intelligence (AI) to manage network operation and control costs, undertaking complex decision-making roles. This shift will necessitate the application of techniques that incorporate critical thinking abilities, including reasoning and planning. Symbolic AI techniques already facilitate critical thinking based on existing knowledge. Yet, their use in telecommunications is hindered by the high cost of mostly manual curation of this knowledge and high computational complexity of reasoning tasks. At the same time, there is a spurt of innovations in industries such as telecommunications due to Generative AI (GenAI) technologies, operating independently of human-curated knowledge. However, their capacity for critical thinking remains uncertain. This paper aims to address this gap by examining the current status of GenAI algorithms with critical thinking capabilities and investigating their potential applications in telecom networks. Specifically, the aim of this study is to offer an introduction to the potential utilization of GenAI for critical thinking techniques in mobile networks, while also establishing a foundation for future research.


Statistical Modelling of Driving Scenarios in Road Traffic using Fleet Data of Production Vehicles

arXiv.org Artificial Intelligence

Ensuring the safety of road vehicles at an acceptable level requires the absence of any unreasonable risk arising from all potential hazards linked to the intended au-tomated driving function and its implementation. The assurance that there are no unreasonable risks stemming from hazardous behaviours associated to functional insufficiencies is denoted as safety of intended functionality (SOTIF), a concept outlined in the ISO 21448 standard. In this context, the acquisition of real driving data is considered essential for the verification and validation. For this purpose, we are currently developing a method with which data collect-ed representatively from production vehicles can be modelled into a knowledge-based system in the future. A system that represents the probabilities of occur-rence of concrete driving scenarios over the statistical population of road traffic and makes them usable. The method includes the qualitative and quantitative ab-straction of the drives recorded by the sensors in the vehicles, the possibility of subsequent wireless transmission of the abstracted data from the vehicles and the derivation of the distributions and correlations of scenario parameters. This paper provides a summary of the research project and outlines its central idea. To this end, among other things, the needs for statistical information and da-ta from road traffic are elaborated from ISO 21448, the current state of research is addressed, and methodical aspects are discussed.


Supervised Gradual Machine Learning for Aspect Category Detection

arXiv.org Artificial Intelligence

Aspect Category Detection (ACD) aims to identify implicit and explicit aspects in a given review sentence. The state-of-the-art approaches for ACD use Deep Neural Networks (DNNs) to address the problem as a multi-label classification task. However, learning category-specific representations heavily rely on the amount of labeled examples, which may not readily available in real-world scenarios. In this paper, we propose a novel approach to tackle the ACD task by combining DNNs with Gradual Machine Learning (GML) in a supervised setting. we aim to leverage the strength of DNN in semantic relation modeling, which can facilitate effective knowledge transfer between labeled and unlabeled instances during the gradual inference of GML. To achieve this, we first analyze the learned latent space of the DNN to model the relations, i.e., similar or opposite, between instances. We then represent these relations as binary features in a factor graph to efficiently convey knowledge. Finally, we conduct a comparative study of our proposed solution on real benchmark datasets and demonstrate that the GML approach, in collaboration with DNNs for feature extraction, consistently outperforms pure DNN solutions.


Techniques for Measuring the Inferential Strength of Forgetting Policies

arXiv.org Artificial Intelligence

The technique of forgetting in knowledge representation has been shown to be a powerful and useful knowledge engineering tool with widespread application. Yet, very little research has been done on how different policies of forgetting, or use of different forgetting operators, affects the inferential strength of the original theory. The goal of this paper is to define loss functions for measuring changes in inferential strength based on intuitions from model counting and probability theory. Properties of such loss measures are studied and a pragmatic knowledge engineering tool is proposed for computing loss measures using Problog. The paper includes a working methodology for studying and determining the strength of different forgetting policies, in addition to concrete examples showing how to apply the theoretical results using Problog. Although the focus is on forgetting, the results are much more general and should have wider application to other areas.