In the dynamic field of nuclear magnetic resonance (NMR) spectroscopy, artificial intelligence (AI) has ushered in a transformative era for molecular studies. AI-driven NMR prediction, powered by advanced machine learning and predictive algorithms, has fundamentally reshaped the interpretation of NMR spectra. This innovation empowers us to forecast spectral patterns swiftly and accurately across a broad spectrum of molecular structures. Furthermore, the advent of generative modeling offers a groundbreaking approach, making it feasible to make informed prediction of 2D NMR from chemical language (such as SMILES, IUPAC Name). Our method mirrors the multifaceted nature of NMR imaging experiments, producing 2D NMRs for the same molecule based on different conditions, such as solvents and temperatures. Our methodology is versatile, catering to both monosaccharide-derived small molecules, oligosaccharides and large polysaccharides. A deeper exploration of the discrepancies in these predictions can provide insights into the influence of elements such as functional groups, repeating units, and the modification of the monomers on the outcomes. Given the complex nature involved in the generation of 2D NMRs, our objective is to fully leverage the potential of AI to enhance the precision, efficiency, and comprehensibility of NMR spectral analysis, ultimately advancing both the field of NMR spectroscopy and the broader realm of molecular research.

Large language models (LLMs) are vulnerable when trained on datasets containing harmful content, which leads to potential jailbreaking attacks in two scenarios: the integration of harmful texts within crowdsourced data used for pre-training and direct tampering with LLMs through fine-tuning. In both scenarios, adversaries can compromise the safety alignment of LLMs, exacerbating malfunctions. Motivated by the need to mitigate these adversarial influences, our research aims to enhance safety alignment by either neutralizing the impact of malicious texts in pre-training datasets or increasing the difficulty of jailbreaking during downstream fine-tuning. In this paper, we propose a data curation framework designed to counter adversarial impacts in both scenarios. Our method operates under the assumption that we have no prior knowledge of attack details, focusing solely on curating clean texts. We introduce an iterative process aimed at revising texts to reduce their perplexity as perceived by LLMs, while simultaneously preserving their text quality. By pre-training or fine-tuning LLMs with curated clean texts, we observe a notable improvement in LLM robustness regarding safety alignment against harmful queries. For instance, when pre-training LLMs using a crowdsourced dataset containing 5\% harmful instances, adding an equivalent amount of curated texts significantly mitigates the likelihood of providing harmful responses in LLMs and reduces the attack success rate by 71\%. Our study represents a significant step towards mitigating the risks associated with training-based jailbreaking and fortifying the secure utilization of LLMs.

One emergent ability of large language models (LLMs) is that query-specific examples can be included in the prompt at inference time. In this work, we use active learning for adaptive prompt design and call it Active In-context Prompt Design (AIPD). We design the LLM prompt by adaptively choosing few-shot examples from a training set to optimize performance on a test set. The training examples are initially unlabeled and we obtain the label of the most informative ones, which maximally reduces uncertainty in the LLM prediction. We propose two algorithms, GO and SAL, which differ in how the few-shot examples are chosen. We analyze these algorithms in linear models: first GO and then use its equivalence with SAL. We experiment with many different tasks in small, medium-sized, and large language models; and show that GO and SAL outperform other methods for choosing few-shot examples in the LLM prompt at inference time.

Optimization problems characterized by both discrete and continuous variables are common across various disciplines, presenting unique challenges due to their complex solution landscapes and the difficulty of navigating mixed-variable spaces effectively. To Address these challenges, we introduce a hybrid Reinforcement Learning (RL) framework that synergizes RL for discrete variable selection with Bayesian Optimization for continuous variable adjustment. This framework stands out by its strategic integration of RL and continuous optimization techniques, enabling it to dynamically adapt to the problem's mixed-variable nature. By employing RL for exploring discrete decision spaces and Bayesian Optimization to refine continuous parameters, our approach not only demonstrates flexibility but also enhances optimization performance. Our experiments on synthetic functions and real-world machine learning hyperparameter tuning tasks reveal that our method consistently outperforms traditional RL, random search, and standalone Bayesian optimization in terms of effectiveness and efficiency.

The role of natural language constraints in Safe Multi-agent Reinforcement Learning (MARL) is crucial, yet often overlooked. While Safe MARL has vast potential, especially in fields like robotics and autonomous vehicles, its full potential is limited by the need to define constraints in pre-designed mathematical terms, which requires extensive domain expertise and reinforcement learning knowledge, hindering its broader adoption. To address this limitation and make Safe MARL more accessible and adaptable, we propose a novel approach named Safe Multi-agent Reinforcement Learning with Natural Language constraints (SMALL). Our method leverages fine-tuned language models to interpret and process free-form textual constraints, converting them into semantic embeddings that capture the essence of prohibited states and behaviours. These embeddings are then integrated into the multi-agent policy learning process, enabling agents to learn policies that minimize constraint violations while optimizing rewards. To evaluate the effectiveness of SMALL, we introduce the LaMaSafe, a multi-task benchmark designed to assess the performance of multiple agents in adhering to natural language constraints. Empirical evaluations across various environments demonstrate that SMALL achieves comparable rewards and significantly fewer constraint violations, highlighting its effectiveness in understanding and enforcing natural language constraints.

Preparing an organization's data for AI, however, unlocks a new set of challenges and opportunities. This MIT Technology Review Insights survey report investigates whether companies' data foundations are ready to garner benefits from generative AI, as well as the challenges of building the necessary data infrastructure for this technology. In doing so, it draws on insights from a survey of 300 C-suite executives and senior technology leaders, as well on in-depth interviews with four leading experts. Data integration is the leading priority for AI readiness. In our survey, 82% of C-suite and other senior executives agree that "scaling AI or generative AI use cases to create business value is a top priority for our organization."

The incorporation of Artificial Intelligence (AI) models into various optimization systems is on the rise. Yet, addressing complex urban and environmental management problems normally requires in-depth domain science and informatics expertise. This expertise is essential for deriving data and simulation-driven for informed decision support. In this context, we investigate the potential of leveraging the pre-trained Large Language Models (LLMs). By adopting ChatGPT API as the reasoning core, we outline an integrated workflow that encompasses natural language processing, methontology-based prompt tuning, and transformers. This workflow automates the creation of scenario-based ontology using existing research articles and technical manuals of urban datasets and simulations. The outcomes of our methodology are knowledge graphs in widely adopted ontology languages (e.g., OWL, RDF, SPARQL). These facilitate the development of urban decision support systems by enhancing the data and metadata modeling, the integration of complex datasets, the coupling of multi-domain simulation models, and the formulation of decision-making metrics and workflow. The feasibility of our methodology is evaluated through a comparative analysis that juxtaposes our AI-generated ontology with the well-known Pizza Ontology employed in tutorials for popular ontology software (e.g., prot\'eg\'e). We close with a real-world case study of optimizing the complex urban system of multi-modal freight transportation by generating anthologies of various domain data and simulations to support informed decision-making.

The 2024 Index is our most comprehensive to date and arrives at an important moment when AI's influence on society has never been more pronounced. This year, we have broadened our scope to more extensively cover essential trends such as technical advancements in AI, public perceptions of the technology, and the geopolitical dynamics surrounding its development. Featuring more original data than ever before, this edition introduces new estimates on AI training costs, detailed analyses of the responsible AI landscape, and an entirely new chapter dedicated to AI's impact on science and medicine. The AI Index report tracks, collates, distills, and visualizes data related to artificial intelligence (AI). Our mission is to provide unbiased, rigorously vetted, broadly sourced data in order for policymakers, researchers, executives, journalists, and the general public to develop a more thorough and nuanced understanding of the complex field of AI. The AI Index is recognized globally as one of the most credible and authoritative sources for data and insights on artificial intelligence. Previous editions have been cited in major newspapers, including the The New York Times, Bloomberg, and The Guardian, have amassed hundreds of academic citations, and been referenced by high-level policymakers in the United States, the United Kingdom, and the European Union, among other places. This year's edition surpasses all previous ones in size, scale, and scope, reflecting the growing significance that AI is coming to hold in all of our lives.

Announced on February 15, 2024, it instantly caught the public's attention by demonstrating the ability to generate dynamic and realistic video clips from text prompts, similar to how OpenAI's DALL-E generates images from text. While Sora is still in a pre-release phase, its potential to revolutionize content creation and disrupt various industries be it media, entertainment, or advertising, has already ignited discussions across online communities. Subreddits such as r/OpenAI, r/technology and r/ChatGPT have emerged as epicentres for technology enthusiasts and critics to openly discuss and share narratives about the latest advancements in AI technologies. Previous studies have explored public perceptions of large language models like ChatGPT and image generators such as DALL-E through analysing online forums. For instance, Talafidaryani and Mora (2024) employed topic modeling techniques on Reddit data to uncover dominant themes surrounding ChatGPT, including its capabilities, limitations, and ethical considerations. Similarly, Zhou and Nabus (2023) investigated discussions on DALL-E, revealing discourse on creative applications, risks of misuse, and comparisons to human artists. However, due to Sora's relatively recent emergence, there is still a lack of research on the narratives and themes emerging from Reddit conversations about this novel technology. By conducting topic modeling analysis on a large corpus of Reddit comments, the study aims to feel that gap and uncover the main topics and themes users are discussing about Sora. These narratives can provide valuable insights into public perceptions, areas of excitement, as well as societal and ethical concerns surrounding around the advent of new generative AI technologies.

This report investigates the perceptions of teaching staff on the prevalence of student cheating and the impact of Generative AI on academic integrity. Data was collected via an anonymous survey of teachers at the Department of Information Technology at Uppsala University and analyzed alongside institutional statistics on cheating investigations from 2004 to 2023. The results indicate that while teachers generally do not view cheating as highly prevalent, there is a strong belief that its incidence is increasing, potentially due to the accessibility of Generative AI. Most teachers do not equate AI usage with cheating but acknowledge its widespread use among students. Furthermore, teachers' perceptions align with objective data on cheating trends, highlighting their awareness of the evolving landscape of academic dishonesty.