Do current large language models (LLMs) better solve graph reasoning and generation tasks with parameter updates? In this paper, we propose InstructGraph, a framework that empowers LLMs with the abilities of graph reasoning and generation by instruction tuning and preference alignment. Specifically, we first propose a structured format verbalizer to unify all graph data into a universal code-like format, which can simply represent the graph without any external graph-specific encoders. Furthermore, a graph instruction tuning stage is introduced to guide LLMs in solving graph reasoning and generation tasks. Finally, we identify potential hallucination problems in graph tasks and sample negative instances for preference alignment, the target of which is to enhance the output's reliability of the model. Extensive experiments across multiple graph-centric tasks exhibit that InstructGraph can achieve the best performance and outperform GPT-4 and LLaMA2 by more than 13\% and 38\%, respectively.

Artificial intelligence (AI)-driven methods can vastly improve the historically costly drug design process, with various generative models already in widespread use. Generative models for de novo drug design, in particular, focus on the creation of novel biological compounds entirely from scratch, representing a promising future direction. Rapid development in the field, combined with the inherent complexity of the drug design process, creates a difficult landscape for new researchers to enter. In this survey, we organize de novo drug design into two overarching themes: small molecule and protein generation. Within each theme, we identify a variety of subtasks and applications, highlighting important datasets, benchmarks, and model architectures and comparing the performance of top models. We take a broad approach to AI-driven drug design, allowing for both micro-level comparisons of various methods within each subtask and macro-level observations across different fields. We discuss parallel challenges and approaches between the two applications and highlight future directions for AI-driven de novo drug design as a whole. An organized repository of all covered sources is available at https://github.com/gersteinlab/GenAI4Drug.

In this paper, we propose a class of non-parametric classifiers, that learn arbitrary boundaries and generalize well. Our approach is based on a novel way to regularize 1NN classifiers using a greedy approach. We refer to this class of classifiers as Watershed Classifiers. 1NN classifiers are known to trivially over-fit but have very large VC dimension, hence do not generalize well. We show that watershed classifiers can find arbitrary boundaries on any dense enough dataset, and, at the same time, have very small VC dimension; hence a watershed classifier leads to good generalization. Traditional approaches to regularize 1NN classifiers are to consider $K$ nearest neighbours. Neighbourhood component analysis (NCA) proposes a way to learn representations consistent with ($n-1$) nearest neighbour classifier, where $n$ denotes the size of the dataset. In this article, we propose a loss function which can learn representations consistent with watershed classifiers, and show that it outperforms the NCA baseline.

Table reasoning, which aims to generate the corresponding answer to the question following the user requirement according to the provided table, and optionally a text description of the table, effectively improving the efficiency of obtaining information. Recently, using Large Language Models (LLMs) has become the mainstream method for table reasoning, because it not only significantly reduces the annotation cost but also exceeds the performance of previous methods. However, existing research still lacks a summary of LLM-based table reasoning works. Due to the existing lack of research, questions about which techniques can improve table reasoning performance in the era of LLMs, why LLMs excel at table reasoning, and how to enhance table reasoning abilities in the future, remain largely unexplored. This gap significantly limits progress in research. To answer the above questions and advance table reasoning research with LLMs, we present this survey to analyze existing research, inspiring future work. In this paper, we analyze the mainstream techniques used to improve table reasoning performance in the LLM era, and the advantages of LLMs compared to pre-LLMs for solving table reasoning. We provide research directions from both the improvement of existing methods and the expansion of practical applications to inspire future research.

Artificial intelligence (AI) systems have the potential to revolutionize clinical practices, including improving diagnostic accuracy and surgical decision-making, while also reducing costs and manpower. However, it is important to recognize that these systems may perpetuate social inequities or demonstrate biases, such as those based on race or gender. Such biases can occur before, during, or after the development of AI models, making it critical to understand and address potential biases to enable the accurate and reliable application of AI models in clinical settings. To mitigate bias concerns during model development, we surveyed recent publications on different debiasing methods in the fields of biomedical natural language processing (NLP) or computer vision (CV). Then we discussed the methods that have been applied in the biomedical domain to address bias. We performed our literature search on PubMed, ACM digital library, and IEEE Xplore of relevant articles published between January 2018 and December 2023 using multiple combinations of keywords. We then filtered the result of 10,041 articles automatically with loose constraints, and manually inspected the abstracts of the remaining 890 articles to identify the 55 articles included in this review. Additional articles in the references are also included in this review. We discuss each method and compare its strengths and weaknesses. Finally, we review other potential methods from the general domain that could be applied to biomedicine to address bias and improve fairness.The bias of AIs in biomedicine can originate from multiple sources. Existing debiasing methods that focus on algorithms can be categorized into distributional or algorithmic.

Machine Learning (ML) and 'Artificial Intelligence' ('AI') methods tend to replicate and amplify existing biases and prejudices, as do Robots with AI. For example, robots with facial recognition have failed to identify Black Women as human, while others have categorized people, such as Black Men, as criminals based on appearance alone. A 'culture of modularity' means harms are perceived as 'out of scope', or someone else's responsibility, throughout employment positions in the 'AI supply chain'. Incidents are routine enough (incidentdatabase.ai lists over 2000 examples) to indicate that few organizations are capable of completely respecting peoples' rights; meeting claimed equity, diversity, and inclusion (EDI or DEI) goals; or recognizing and then addressing such failures in their organizations and artifacts. We propose a framework for adapting widely practiced Research and Development (R&D) project management methodologies to build organizational equity capabilities and better integrate known evidence-based best practices. We describe how project teams can organize and operationalize the most promising practices, skill sets, organizational cultures, and methods to detect and address rights-based fairness, equity, accountability, and ethical problems as early as possible when they are often less harmful and easier to mitigate; then monitor for unforeseen incidents to adaptively and constructively address them. Our primary example adapts an Agile development process based on Scrum, one of the most widely adopted approaches to organizing R&D teams. We also discuss limitations of our proposed framework and future research directions.

Automated and autonomous industrial inspection is a longstanding research field, driven by the necessity to enhance safety and efficiency within industrial settings. In addressing this need, we introduce an autonomously navigating robotic system designed for comprehensive plant inspection. This innovative system comprises a robotic platform equipped with a diverse array of sensors integrated to facilitate the detection of various process and infrastructure parameters. These sensors encompass optical (LiDAR, Stereo, UV/IR/RGB cameras), olfactory (electronic nose), and acoustic (microphone array) capabilities, enabling the identification of factors such as methane leaks, flow rates, and infrastructural anomalies. The proposed system underwent individual evaluation at a wastewater treatment site within a chemical plant, providing a practical and challenging environment for testing. The evaluation process encompassed key aspects such as object detection, 3D localization, and path planning. Furthermore, specific evaluations were conducted for optical methane leak detection and localization, as well as acoustic assessments focusing on pump equipment and gas leak localization.

This research aims to explore the impact of Machine Learning (ML) on the evolution and efficacy of Recommendation Systems (RS), particularly in the context of their growing significance in commercial business environments. Methodologically, the study delves into the role of ML in crafting and refining these systems, focusing on aspects such as data sourcing, feature engineering, and the importance of evaluation metrics, thereby highlighting the iterative nature of enhancing recommendation algorithms. The deployment of Recommendation Engines (RE), driven by advanced algorithms and data analytics, is explored across various domains, showcasing their significant impact on user experience and decision-making processes. These engines not only streamline information discovery and enhance collaboration but also accelerate knowledge acquisition, proving vital in navigating the digital landscape for businesses. They contribute significantly to sales, revenue, and the competitive edge of enterprises by offering improved recommendations that align with individual customer needs. The research identifies the increasing expectation of users for a seamless, intuitive online experience, where content is personalized and dynamically adapted to changing preferences. Future research directions include exploring advancements in deep learning models, ethical considerations in the deployment of RS, and addressing scalability challenges. This study emphasizes the indispensability of comprehending and leveraging ML in RS for researchers and practitioners, to tap into the full potential of personalized recommendation in commercial business prospects.

Artificial intelligence (AI) advances and the rapid adoption of generative AI tools like ChatGPT present new opportunities and challenges for higher education. While substantial literature discusses AI in higher education, there is a lack of a systemic approach that captures a holistic view of the AI transformation of higher education institutions (HEIs). To fill this gap, this article, taking a complex systems approach, develops a causal loop diagram (CLD) to map the causal feedback mechanisms of AI transformation in a typical HEI. Our model accounts for the forces that drive the AI transformation and the consequences of the AI transformation on value creation in a typical HEI. The article identifies and analyzes several reinforcing and balancing feedback loops, showing how, motivated by AI technology advances, the HEI invests in AI to improve student learning, research, and administration. The HEI must take measures to deal with academic integrity problems and adapt to changes in available jobs due to AI, emphasizing AI-complementary skills for its students. However, HEIs face a competitive threat and several policy traps that may lead to decline. HEI leaders need to become systems thinkers to manage the complexity of the AI transformation and benefit from the AI feedback loops while avoiding the associated pitfalls. We also discuss long-term scenarios, the notion of HEIs influencing the direction of AI, and directions for future research on AI transformation.

This paper introduces a novel generative model for discrete distributions based on continuous normalizing flows on the submanifold of factorizing discrete measures. Integration of the flow gradually assigns categories and avoids issues of discretizing the latent continuous model like rounding, sample truncation etc. General non-factorizing discrete distributions capable of representing complex statistical dependencies of structured discrete data, can be approximated by embedding the submanifold into a the meta-simplex of all joint discrete distributions and data-driven averaging. Efficient training of the generative model is demonstrated by matching the flow of geodesics of factorizing discrete distributions. Various experiments underline the approach's broad applicability.