Industry 4.0 has witnessed the rise of complex robots fueled by the integration of Artificial Intelligence/Machine Learning (AI/ML) and Digital Twin (DT) technologies. While these technologies offer numerous benefits, they also introduce potential privacy and security risks. This paper surveys privacy attacks targeting robots enabled by AI and DT models. Exfiltration and data leakage of ML models are discussed in addition to the potential extraction of models derived from first-principles (e.g., physics-based). We also discuss design considerations with DT-integrated robotics touching on the impact of ML model training, responsible AI and DT safeguards, data governance and ethical considerations on the effectiveness of these attacks. We advocate for a trusted autonomy approach, emphasizing the need to combine robotics, AI, and DT technologies with robust ethical frameworks and trustworthiness principles for secure and reliable AI robotic systems.

Support Vector Machine (SVM) is a state-of-the-art classification method widely used in science and engineering due to its high accuracy, its ability to deal with high dimensional data, and its flexibility in modeling diverse sources of data. In this paper, we propose an autotuning-based optimization framework to quantify the ranges of hyperparameters in SVMs to identify their optimal choices, and apply the framework to two SVMs with the mixed-kernel between Sigmoid and Gaussian kernels for smart pixel datasets in high energy physics (HEP) and mixed-kernel heterojunction transistors (MKH). Our experimental results show that the optimal selection of hyperparameters in the SVMs and the kernels greatly varies for different applications and datasets, and choosing their optimal choices is critical for a high classification accuracy of the mixed kernel SVMs. Uninformed choices of hyperparameters C and coef0 in the mixed-kernel SVMs result in severely low accuracy, and the proposed framework effectively quantifies the proper ranges for the hyperparameters in the SVMs to identify their optimal choices to achieve the highest accuracy 94.6\% for the HEP application and the highest average accuracy 97.2\% with far less tuning time for the MKH application.

Large language models (LLMs) are emerging as a powerful tool in chemistry across multiple domains. In chemistry, LLMs are able to accurately predict properties, design new molecules, optimize synthesis pathways, and accelerate drug and material discovery. A core emerging idea is combining LLMs with chemistry-specific tools like synthesis planners and databases, leading to so-called "agents." This review covers LLMs' recent history, current capabilities, design, challenges specific to chemistry, and future directions. Particular attention is given to agents and their emergence as a cross-chemistry paradigm. Agents have proven effective in diverse domains of chemistry, but challenges remain. It is unclear if creating domain-specific versus generalist agents and developing autonomous pipelines versus "co-pilot" systems will accelerate chemistry. An emerging direction is the development of multi-agent systems using a human-in-the-loop approach. Due to the incredibly fast development of this field, a repository has been built to keep track of the latest studies: https://github.com/ur-whitelab/LLMs-in-science.

As the diversity of users increases, the capability of providing personalized responses by large language models (LLMs) has become increasingly important. Existing approaches have only limited successes in LLM personalization, due to the absence of personalized learning or the reliance on shared personal data. This paper proposes a new approach for a few-shot personalization of LLMs with their mis-aligned responses (Fermi). Our key idea is to learn a set of personalized prompts for each user by progressively improving the prompts using LLMs, based on user profile (e.g., demographic information) and a few examples of previous opinions. During an iterative process of prompt improvement, we incorporate the contexts of mis-aligned responses by LLMs, which are especially crucial for the effective personalization of LLMs. In addition, we develop an effective inference method to further leverage the context of the test query and the personalized prompts. Our experimental results demonstrate that Fermi significantly improves performance across various benchmarks, compared to the best-performing baselines.

Large Language Models (LLMs) have stunningly advanced the field of machine translation, though their effectiveness within the financial domain remains largely underexplored. To probe this issue, we constructed a fine-grained Chinese-English parallel corpus of financial news called FFN. We acquired financial news articles spanning between January 1st, 2014, to December 31, 2023, from mainstream media websites such as CNN, FOX, and China Daily. The dataset consists of 1,013 main text and 809 titles, all of which have been manually corrected. We measured the translation quality of two LLMs -- ChatGPT and ERNIE-bot, utilizing BLEU, TER and chrF scores as the evaluation metrics. For comparison, we also trained an OpenNMT model based on our dataset. We detail problems of LLMs and provide in-depth analysis, intending to stimulate further research and solutions in this largely uncharted territory. Our research underlines the need to optimize LLMs within the specific field of financial translation to ensure accuracy and quality.

This study introduces a novel approach to simulating legislative processes using LLM-driven virtual agents, focusing on the U.S. Senate Intelligence Committee. We developed agents representing individual senators and placed them in simulated committee discussions. The agents demonstrated the ability to engage in realistic debate, provide thoughtful reflections, and find bipartisan solutions under certain conditions. Notably, the simulation also showed promise in modeling shifts towards bipartisanship in response to external perturbations. Our results indicate that this LLM-driven approach could become a valuable tool for understanding and potentially improving legislative processes, supporting a broader pattern of findings highlighting how LLM-based agents can usefully model real-world phenomena. Future works will focus on enhancing agent complexity, expanding the simulation scope, and exploring applications in policy testing and negotiation.

In the context of escalating safety concerns across various domains, the tasks of Video Anomaly Detection (VAD) and Video Anomaly Recognition (VAR) have emerged as critically important for applications in intelligent surveillance, evidence investigation, violence alerting, etc. These tasks, aimed at identifying and classifying deviations from normal behavior in video data, face significant challenges due to the rarity of anomalies which leads to extremely imbalanced data and the impracticality of extensive frame-level data annotation for supervised learning. This paper introduces a novel hierarchical graph neural network (GNN) based model MissionGNN that addresses these challenges by leveraging a state-of-the-art large language model and a comprehensive knowledge graph for efficient weakly supervised learning in VAR. Our approach circumvents the limitations of previous methods by avoiding heavy gradient computations on large multimodal models and enabling fully frame-level training without fixed video segmentation. Utilizing automated, mission-specific knowledge graph generation, our model provides a practical and efficient solution for real-time video analysis without the constraints of previous segmentation-based or multimodal approaches. Experimental validation on benchmark datasets demonstrates our model's performance in VAD and VAR, highlighting its potential to redefine the landscape of anomaly detection and recognition in video surveillance systems.

Generating event graphs from long documents is challenging due to the inherent complexity of multiple tasks involved such as detecting events, identifying their relationships, and reconciling unstructured input with structured graphs. Recent studies typically consider all events with equal importance, failing to distinguish salient events crucial for understanding narratives. This paper presents CALLMSAE, a CAscading Large Language Model framework for SAlient Event graph generation, which leverages the capabilities of LLMs and eliminates the need for costly human annotations. We first identify salient events by prompting LLMs to generate summaries, from which salient events are identified. Next, we develop an iterative code refinement prompting strategy to generate event relation graphs, removing hallucinated relations and recovering missing edges. Fine-tuning contextualised graph generation models on the LLM-generated graphs outperforms the models trained on CAEVO-generated data. Experimental results on a human-annotated test set show that the proposed method generates salient and more accurate graphs, outperforming competitive baselines.

Single-step retrosynthesis aims to predict a set of reactions that lead to the creation of a target molecule, which is a crucial task in molecular discovery. Although a target molecule can often be synthesized with multiple different reactions, it is not clear how to verify the feasibility of a reaction, because the available datasets cover only a tiny fraction of the possible solutions. Consequently, the existing models are not encouraged to explore the space of possible reactions sufficiently. In this paper, we propose a novel single-step retrosynthesis model, RetroGFN, that can explore outside the limited dataset and return a diverse set of feasible reactions by leveraging a feasibility proxy model during the training. We show that RetroGFN achieves competitive results on standard top-k accuracy while outperforming existing methods on round-trip accuracy. Moreover, we provide empirical arguments in favor of using round-trip accuracy which expands the notion of feasibility with respect to the standard top-k accuracy metric.

This paper critically evaluates the attempts to align Artificial Intelligence (AI) systems, especially Large Language Models (LLMs), with human values and intentions through Reinforcement Learning from Feedback (RLxF) methods, involving either human feedback (RLHF) or AI feedback (RLAIF). Specifically, we show the shortcomings of the broadly pursued alignment goals of honesty, harmlessness, and helpfulness. Through a multidisciplinary sociotechnical critique, we examine both the theoretical underpinnings and practical implementations of RLxF techniques, revealing significant limitations in their approach to capturing the complexities of human ethics and contributing to AI safety. We highlight tensions and contradictions inherent in the goals of RLxF. In addition, we discuss ethically-relevant issues that tend to be neglected in discussions about alignment and RLxF, among which the trade-offs between user-friendliness and deception, flexibility and interpretability, and system safety. We conclude by urging researchers and practitioners alike to critically assess the sociotechnical ramifications of RLxF, advocating for a more nuanced and reflective approach to its application in AI development.