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 Generative AI


A Deep Generative Model for the Design of Synthesizable Ionizable Lipids

arXiv.org Artificial Intelligence

Lipid nanoparticles (LNPs) are vital in modern biomedicine, enabling the effective delivery of mRNA for vaccines and therapies by protecting it from rapid degradation. Among the components of LNPs, ionizable lipids play a key role in RNA protection and facilitate its delivery into the cytoplasm. However, designing ionizable lipids is complex. Deep generative models can accelerate this process and explore a larger candidate space compared to traditional methods. Due to the structural differences between lipids and small molecules, existing generative models used for small molecule generation are unsuitable for lipid generation. To address this, we developed a deep generative model specifically tailored for the discovery of ionizable lipids. Our model generates novel ionizable lipid structures and provides synthesis paths using synthetically accessible building blocks, addressing synthesizability. This advancement holds promise for streamlining the development of lipid-based delivery systems, potentially accelerating the deployment of new therapeutic agents, including mRNA vaccines and gene therapies.


The Advancement of Personalized Learning Potentially Accelerated by Generative AI

arXiv.org Artificial Intelligence

The rapid development of Generative AI (GAI) has sparked revolutionary changes across various aspects of education. Personalized learning, a focal point and challenge in educational research, has also been influenced by the development of GAI. To explore GAI's extensive impact on personalized learning, this study investigates its potential to enhance various facets of personalized learning through a thorough analysis of existing research. The research comprehensively examines GAI's influence on personalized learning by analyzing its application across different methodologies and contexts, including learning strategies, paths, materials, environments, and specific analyses within the teaching and learning processes. Through this in-depth investigation, we find that GAI demonstrates exceptional capabilities in providing adaptive learning experiences tailored to individual preferences and needs. Utilizing different forms of GAI across various subjects yields superior learning outcomes. The article concludes by summarizing scenarios where GAI is applicable in educational processes and discussing strategies for leveraging GAI to enhance personalized learning, aiming to guide educators and learners in effectively utilizing GAI to achieve superior learning objectives.


"Give me the code" -- Log Analysis of First-Year CS Students' Interactions With GPT

arXiv.org Artificial Intelligence

The impact of Large Language Models (LLMs) like GPT-3, GPT-4, and Bard in computer science (CS) education is expected to be profound. Students now have the power to generate code solutions for a wide array of programming assignments. For first-year students, this may be particularly problematic since the foundational skills are still in development and an over-reliance on generative AI tools can hinder their ability to grasp essential programming concepts. This paper analyzes the prompts used by 69 freshmen undergraduate students to solve a certain programming problem within a project assignment, without giving them prior prompt training. We also present the rules of the exercise that motivated the prompts, designed to foster critical thinking skills during the interaction. Despite using unsophisticated prompting techniques, our findings suggest that the majority of students successfully leveraged GPT, incorporating the suggested solutions into their projects. Additionally, half of the students demonstrated the ability to exercise judgment in selecting from multiple GPT-generated solutions, showcasing the development of their critical thinking skills in evaluating AI-generated code.


Graph-to-SFILES: Control structure prediction from process topologies using generative artificial intelligence

arXiv.org Artificial Intelligence

Control structure design is an important but tedious step in P&ID development. Generative artificial intelligence (AI) promises to reduce P&ID development time by supporting engineers. Previous research on generative AI in chemical process design mainly represented processes by sequences. However, graphs offer a promising alternative because of their permutation invariance. We propose the Graph-to-SFILES model, a generative AI method to predict control structures from flowsheet topologies. The Graph-to-SFILES model takes the flowsheet topology as a graph input and returns a control-extended flowsheet as a sequence in the SFILES 2.0 notation. We compare four different graph encoder architectures, one of them being a graph neural network (GNN) proposed in this work. The Graph-to-SFILES model achieves a top-5 accuracy of 73.2% when trained on 10,000 flowsheet topologies. In addition, the proposed GNN performs best among the encoder architectures. Compared to a purely sequence-based approach, the Graph-to-SFILES model improves the top-5 accuracy for a relatively small training dataset of 1,000 flowsheets from 0.9% to 28.4%. However, the sequence-based approach performs better on a large-scale dataset of 100,000 flowsheets. These results highlight the potential of graph-based AI models to accelerate P&ID development in small-data regimes but their effectiveness on industry relevant case studies still needs to be investigated.


Five Canadian news media outlets sue OpenAI for copyright breach

Al Jazeera

Microsoft is OpenAI's major backer. In a statement, Torstar, Postmedia, The Globe and Mail, The Canadian Press, and CBC/Radio-Canada said OpenAI was scraping large swaths of content to develop its products without getting permission or compensating content owners. "Journalism is in the public interest. OpenAI using other companies' journalism for their own commercial gain is not. A New York federal judge dismissed a lawsuit on November 7 against OpenAI that claimed it misused articles from news outlets Raw Story and AlterNet.


Canadian news organizations sue OpenAI for ChatGPT copyright infringement

Engadget

The joint lawsuit accuses the company of "capitalizing and profiting" from the unauthorized use of their content for ChatGPT. The legal action was filed in the Ontario Superior Court of Justice. The plaintiffs include CBC/Radio-Canada, Postmedia, Metroland, the Toronto Star, the Globe and Mail and The Canadian Press. They're seeking punitive damages from OpenAI, payments for any profits the ChatGPT creator made from using their news articles and a ban on further use of their content. "OpenAI is capitalizing and profiting from the use of this content, without getting permission or compensating content owners."


AI-driven inverse design of materials: Past, present and future

arXiv.org Artificial Intelligence

The discovery of advanced materials is the cornerstone of human technological development and progress. The structures of materials and their corresponding properties are essentially the result of a complex interplay of multiple degrees of freedom such as lattice, charge, spin, symmetry, and topology. This poses significant challenges for the inverse design methods of materials. Humans have long explored new materials through a large number of experiments and proposed corresponding theoretical systems to predict new material properties and structures. With the improvement of computational power, researchers have gradually developed various electronic structure calculation methods, such as the density functional theory and high-throughput computational methods. Recently, the rapid development of artificial intelligence technology in the field of computer science has enabled the effective characterization of the implicit association between material properties and structures, thus opening up an efficient paradigm for the inverse design of functional materials. A significant progress has been made in inverse design of materials based on generative and discriminative models, attracting widespread attention from researchers. Considering this rapid technological progress, in this survey, we look back on the latest advancements in AI-driven inverse design of materials by introducing the background, key findings, and mainstream technological development routes. In addition, we summarize the remaining issues for future directions. This survey provides the latest overview of AI-driven inverse design of materials, which can serve as a useful resource for researchers.


Generative AI Literacy: Twelve Defining Competencies

arXiv.org Artificial Intelligence

This paper introduces a competency-based model for generative artificial intelligence (AI) literacy covering essential skills and knowledge areas necessary to interact with generative AI. The competencies range from foundational AI literacy to prompt engineering and programming skills, including ethical and legal considerations. These twelve competencies offer a framework for individuals, policymakers, government officials, and educators looking to navigate and take advantage of the potential of generative AI responsibly. Embedding these competencies into educational programs and professional training initiatives can equip individuals to become responsible and informed users and creators of generative AI. The competencies follow a logical progression and serve as a roadmap for individuals seeking to get familiar with generative AI and for researchers and policymakers to develop assessments, educational programs, guidelines, and regulations.


A Note on Small Percolating Sets on Hypercubes via Generative AI

arXiv.org Artificial Intelligence

Bootstrap percolation, introduced by Chalupa, Leath, and Reich in their 1979 work [4], serves as a simplified model for ferromagnetic dynamics. Since then, it has been applied in numerous fields of physics and has become a significant topic of interest in mathematics. The process starts with an initial set of "infected" vertices in a graph G, where at each step, any vertex with at least r infected neighbors also becomes infected. A key problem in this framework is determining the minimum size of an initial set that results in the entire graph becoming infected, known as the percolating set. This minimum is denoted by m(G, r).


Unimib Assistant: designing a student-friendly RAG-based chatbot for all their needs

arXiv.org Artificial Intelligence

Natural language processing skills of Large Language Models (LLMs) are unprecedented, having wide diffusion and application in different tasks. This pilot study focuses on specializing ChatGPT behavior through a Retrieval-Augmented Generation (RAG) system using the OpenAI custom GPTs feature. The purpose of our chatbot, called Unimib Assistant, is to provide information and solutions to the specific needs of University of Milano-Bicocca (Unimib) students through a question-answering approach. We provided the system with a prompt highlighting its specific purpose and behavior, as well as university-related documents and links obtained from an initial need-finding phase, interviewing six students. After a preliminary customization phase, a qualitative usability test was conducted with six other students to identify the strengths and weaknesses of the chatbot, with the goal of improving it in a subsequent redesign phase. While the chatbot was appreciated for its user-friendly experience, perceived general reliability, well-structured responses, and conversational tone, several significant technical and functional limitations emerged. In particular, the satisfaction and overall experience of the users was impaired by the system's inability to always provide fully accurate information. Moreover, it would often neglect to report relevant information even if present in the materials uploaded and prompt given. Furthermore, it sometimes generated unclickable links, undermining its trustworthiness, since providing the source of information was an important aspect for our users. Further in-depth studies and feedback from other users as well as implementation iterations are planned to refine our Unimib Assistant.