Recent advancements in AI for biological research focus on integrating molecular data with natural language to accelerate drug discovery. However, the scarcity of high-quality annotations limits progress in this area. This paper introduces LA$^3$, a Language-based Automatic Annotation Augmentation framework that leverages large language models to augment existing datasets, thereby improving AI training. We demonstrate the effectiveness of LA$^3$ by creating an enhanced dataset, LaChEBI-20, where we systematically rewrite the annotations of molecules from an established dataset. These rewritten annotations preserve essential molecular information while providing more varied sentence structures and vocabulary. Using LaChEBI-20, we train LaMolT5 based on a benchmark architecture to learn the mapping between molecular representations and augmented annotations. Experimental results on text-based *de novo* molecule generation and molecule captioning demonstrate that LaMolT5 outperforms state-of-the-art models. Notably, incorporating LA$^3$ leads to improvements of up to 301% over the benchmark architecture. Furthermore, we validate the effectiveness of LA$^3$ notable applications in *image*, *text* and *graph* tasks, affirming its versatility and utility.

Foundation Models for Anomaly Detection: Vision and Challenges Jing Ren 1, T ao T ang 2, Hong Jia 3, Haytham Fayek 1, Xiaodong Li 1, Suyu Ma 4, Xiwei Xu 4, and Feng Xia 1 1 RMIT University, Australia 2 University of South Australia, Australia 3 University of Melbourne, Australia 4 CSIRO's Data61, Australia {jing.ren, tao.tang }@ieee.org, Abstract As data continues to grow in volume and complexity across domains such as finance, manufacturing, and healthcare, effective anomaly detection is essential for identifying irregular patterns that may signal critical issues. Recently, foundation models (FMs) have emerged as a powerful tool for advancing anomaly detection. They have demonstrated unprecedented capabilities in enhancing anomaly identification, generating detailed data descriptions, and providing visual explanations. This survey presents the first comprehensive review of recent advancements in FM-based anomaly detection. We propose a novel taxonomy that classifies FMs into three categories based on their roles in anomaly detection tasks, i.e., as encoders, detectors, or interpreters. We provide a systematic analysis of state-of-the-art methods and discuss key challenges in leveraging FMs for improved anomaly detection. We also outline future research directions in this rapidly evolving field. 1 Introduction Anomaly detection, also known as outlier detection, is the process of identifying patterns or events in data that significantly deviate from expected behavior [ Chandola et al., 2009] .

Federated recommender systems have been crucially enhanced through data sharing and continuous model updates, attributed to the pervasive connectivity and distributed computing capabilities of Internet of Things (IoT) devices. Given the sensitivity of IoT data, transparent data processing in data sharing and model updates is paramount. However, existing methods fall short in tracing the flow of shared data and the evolution of model updates. Consequently, data sharing is vulnerable to exploitation by malicious entities, raising significant data privacy concerns, while excluding data sharing will result in sub-optimal recommendations. To mitigate these concerns, we present LIBERATE, a privacy-traceable federated recommender system. We design a blockchain-based traceability mechanism, ensuring data privacy during data sharing and model updates. We further enhance privacy protection by incorporating local differential privacy in user-server communication. Extensive evaluations with the real-world dataset corroborate LIBERATE's capabilities in ensuring data privacy during data sharing and model update while maintaining efficiency and performance. Results underscore blockchain-based traceability mechanism as a promising solution for privacy-preserving in federated recommender systems.

Recent advancements in machine learning and deep learning have brought algorithmic fairness into sharp focus, illuminating concerns over discriminatory decision making that negatively impacts certain individuals or groups. These concerns have manifested in legal, ethical, and societal challenges, including the erosion of trust in intelligent systems. In response, this survey delves into the existing literature on algorithmic fairness, specifically highlighting its multifaceted social consequences. We introduce a novel taxonomy based on 'tolerance', a term we define as the degree to which variations in fairness outcomes are acceptable, providing a structured approach to understanding the subtleties of fairness within algorithmic decisions. Our systematic review covers diverse industries, revealing critical insights into the balance between algorithmic decision making and social equity. By synthesizing these insights, we outline a series of emerging challenges and propose strategic directions for future research and policy making, with the goal of advancing the field towards more equitable algorithmic systems.

With the arrival of the big data era, mobility profiling has become a viable method of utilizing enormous amounts of mobility data to create an intelligent transportation system. Mobility profiling can extract potential patterns in urban traffic from mobility data and is critical for a variety of traffic-related applications. However, due to the high level of complexity and the huge amount of data, mobility profiling faces huge challenges. Digital Twin (DT) technology paves the way for cost-effective and performance-optimised management by digitally creating a virtual representation of the network to simulate its behaviour. In order to capture the complex spatio-temporal features in traffic scenario, we construct alignment diagrams to assist in completing the spatio-temporal correlation representation and design dilated alignment convolution network (DACN) to learn the fine-grained correlations, i.e., spatio-temporal interactions. We propose a digital twin mobility profiling (DTMP) framework to learn node profiles on a mobility network DT model. Extensive experiments have been conducted upon three real-world datasets. Experimental results demonstrate the effectiveness of DTMP.

The advent of large language models (LLMs) has heightened interest in their potential for multimodal applications that integrate language and vision. This paper explores the capabilities of GPT-4V in the realms of geography, environmental science, agriculture, and urban planning by evaluating its performance across a variety of tasks. Data sources comprise satellite imagery, aerial photos, ground-level images, field images, and public datasets. The model is evaluated on a series of tasks including geo-localization, textual data extraction from maps, remote sensing image classification, visual question answering, crop type identification, disease/pest/weed recognition, chicken behavior analysis, agricultural object counting, urban planning knowledge question answering, and plan generation. The results indicate the potential of GPT-4V in geo-localization, land cover classification, visual question answering, and basic image understanding. However, there are limitations in several tasks requiring fine-grained recognition and precise counting. While zero-shot learning shows promise, performance varies across problem domains and image complexities. The work provides novel insights into GPT-4V's capabilities and limitations for real-world geospatial, environmental, agricultural, and urban planning challenges. Further research should focus on augmenting the model's knowledge and reasoning for specialized domains through expanded training. Overall, the analysis demonstrates foundational multimodal intelligence, highlighting the potential of multimodal foundation models (FMs) to advance interdisciplinary applications at the nexus of computer vision and language.

Recent studies have shown that deep learning (DL) models can skillfully predict the El Ni\~no-Southern Oscillation (ENSO) forecasts over 1.5 years ahead. However, concerns regarding the reliability of predictions made by DL methods persist, including potential overfitting issues and lack of interpretability. Here, we propose ResoNet, a DL model that combines convolutional neural network (CNN) and Transformer architectures. This hybrid architecture design enables our model to adequately capture local SSTA as well as long-range inter-basin interactions across oceans. We show that ResoNet can robustly predict ESNO at lead times between 19 and 26 months, thus outperforming existing approaches in terms of the forecast horizon. According to an explainability method applied to ResoNet predictions of El Ni\~no and La Ni\~na events from 1- to 18-month lead, we find that it predicts the Ni\~no3.4 index based on multiple physically reasonable mechanisms, such as the Recharge Oscillator concept, Seasonal Footprint Mechanism, and Indian Ocean capacitor effect. Moreover, we demonstrate that for the first time, the asymmetry between El Ni\~no and La Ni\~na development can be captured by ResoNet. Our results could help alleviate skepticism about applying DL models for ENSO prediction and encourage more attempts to discover and predict climate phenomena using AI methods.

This is the second part of our series works on failure-informed adaptive sampling for physic-informed neural networks (FI-PINNs). In our previous work \cite{gao2022failure}, we have presented an adaptive sampling framework by using the failure probability as the posterior error indicator, where the truncated Gaussian model has been adopted for estimating the indicator. In this work, we present two novel extensions to FI-PINNs. The first extension consist in combining with a re-sampling technique, so that the new algorithm can maintain a constant training size. This is achieved through a cosine-annealing, which gradually transforms the sampling of collocation points from uniform to adaptive via training progress. The second extension is to present the subset simulation algorithm as the posterior model (instead of the truncated Gaussian model) for estimating the error indicator, which can more effectively estimate the failure probability and generate new effective training points in the failure region. We investigate the performance of the new approach using several challenging problems, and numerical experiments demonstrate a significant improvement over the original algorithm.

In many areas of science and engineering, computer simulations are widely used as proxies for physical experiments, which can be infeasible or unethical. Such simulations can often be computationally expensive, and an emulator can be trained to efficiently predict the desired response surface. A widely-used emulator is the Gaussian process (GP), which provides a flexible framework for efficient prediction and uncertainty quantification. Standard GPs, however, do not capture structured sparsity on the underlying response surface, which is present in many applications, particularly in the physical sciences. We thus propose a new hierarchical shrinkage GP (HierGP), which incorporates such structure via cumulative shrinkage priors within a GP framework. We show that the HierGP implicitly embeds the well-known principles of effect sparsity, heredity and hierarchy for analysis of experiments, which allows our model to identify structured sparse features from the response surface with limited data. We propose efficient posterior sampling algorithms for model training and prediction, and prove desirable consistency properties for the HierGP. Finally, we demonstrate the improved performance of HierGP over existing models, in a suite of numerical experiments and an application to dynamical system recovery.

With the explosive growth of new graduates with research degrees every year, unprecedented challenges arise for early-career researchers to find a job at a suitable institution. This study aims to understand the behavior of academic job transition and hence recommend suitable institutions for PhD graduates. Specifically, we design a deep learning model to predict the career move of early-career researchers and provide suggestions. The design is built on top of scholarly/academic networks, which contains abundant information about scientific collaboration among scholars and institutions. We construct a heterogeneous scholarly network to facilitate the exploring of the behavior of career moves and the recommendation of institutions for scholars. We devise an unsupervised learning model called HAI (Heterogeneous graph Attention InfoMax) which aggregates attention mechanism and mutual information for institution recommendation. Moreover, we propose scholar attention and meta-path attention to discover the hidden relationships between several meta-paths. With these mechanisms, HAI provides ordered recommendations with explainability. We evaluate HAI upon a real-world dataset against baseline methods. Experimental results verify the effectiveness and efficiency of our approach.