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In Artificial Intelligence (AI) and computational science, learning the mappings between functions (called operators) defined on complex computational domains is a common theoretical challenge. Recently, Neural Operator emerged as a promising framework with a discretisation-independent model structure to break the fixed-dimension limitation of classical deep learning models. However, existing operator learning methods mainly focus on regular computational domains, and many components of these methods rely on Euclidean structural data. In real-life applications, many operator learning problems are related to complex computational domains such as complex surfaces and solids, which are non-Euclidean and widely referred to as Riemannian manifolds. Here, we report a new concept, Neural Operator on Riemannian Manifolds (NORM), which generalises Neural Operator from being limited to Euclidean spaces to being applicable to Riemannian manifolds, and can learn the mapping between functions defined on any real-life complex geometries, while preserving the discretisation-independent model structure. NORM shifts the function-to-function mapping to finite-dimensional mapping in the Laplacian eigenfunctions' subspace of geometry, and holds universal approximation property in learning operators on Riemannian manifolds even with only one fundamental block. The theoretical and experimental analysis prove that NORM is a significant step forward in operator learning and has the potential to solve complex problems in many fields of applications sharing the same nature and theoretical principle.

Foundation models, such as Large Language Models (LLMs), can respond to a wide range of format-free queries without any task-specific data collection or model training, creating various research and application opportunities for the modeling and operation of large-scale power systems. In this paper, we outline how such large foundation model such as GPT-4 are developed, and discuss how they can be leveraged in challenging power and energy system tasks. We first investigate the potential of existing foundation models by validating their performance on four representative tasks across power system domains, including the optimal power flow (OPF), electric vehicle (EV) scheduling, knowledge retrieval for power engineering technical reports, and situation awareness. Our results indicate strong capabilities of such foundation models on boosting the efficiency and reliability of power system operational pipelines. We also provide suggestions and projections on future deployment of foundation models in power system applications.

As a new emerging and promising type of generative models, diffusion models have proven to outperform Generative Adversarial Networks (GANs) in multiple tasks, including image synthesis. In this work, we explore semantic image synthesis for abdominal CT using conditional diffusion models, which can be used for downstream applications such as data augmentation. We systematically evaluated the performance of three diffusion models, as well as to other state-of-the-art GAN-based approaches, and studied the different conditioning scenarios for the semantic mask. Experimental results demonstrated that diffusion models were able to synthesize abdominal CT images with better quality. Additionally, encoding the mask and the input separately is more effective than na\"ive concatenating.

Large language models (LLMs) have the remarkable ability to solve new tasks with just a few examples, but they need access to the right tools. Retrieval Augmented Generation (RAG) addresses this problem by retrieving a list of relevant tools for a given task. However, RAG's tool retrieval step requires all the required information to be explicitly present in the query. This is a limitation, as semantic search, the widely adopted tool retrieval method, can fail when the query is incomplete or lacks context. To address this limitation, we propose Context Tuning for RAG, which employs a smart context retrieval system to fetch relevant information that improves both tool retrieval and plan generation. Our lightweight context retrieval model uses numerical, categorical, and habitual usage signals to retrieve and rank context items. Our empirical results demonstrate that context tuning significantly enhances semantic search, achieving a 3.5-fold and 1.5-fold improvement in Recall@K for context retrieval and tool retrieval tasks respectively, and resulting in an 11.6% increase in LLM-based planner accuracy. Additionally, we show that our proposed lightweight model using Reciprocal Rank Fusion (RRF) with LambdaMART outperforms GPT-4 based retrieval. Moreover, we observe context augmentation at plan generation, even after tool retrieval, reduces hallucination.

Animals often demonstrate a remarkable ability to adapt to their environments during their lifetime. They do so partly due to the evolution of morphological and neural structures. These structures capture features of environments shared between generations to bias and speed up lifetime learning. In this work, we propose a computational model for studying a mechanism that can enable such a process. We adopt a computational framework based on meta reinforcement learning as a model of the interplay between evolution and development. At the evolutionary scale, we evolve reservoirs, a family of recurrent neural networks that differ from conventional networks in that one optimizes not the weight values but hyperparameters of the architecture: the later control macro-level properties, such as memory and dynamics. At the developmental scale, we employ these evolved reservoirs to facilitate the learning of a behavioral policy through Reinforcement Learning (RL). Within an RL agent, a reservoir encodes the environment state before providing it to an action policy. We evaluate our approach on several 2D and 3D simulated environments. Our results show that the evolution of reservoirs can improve the learning of diverse challenging tasks. We study in particular three hypotheses: the use of an architecture combining reservoirs and reinforcement learning could enable (1) solving tasks with partial observability, (2) generating oscillatory dynamics that facilitate the learning of locomotion tasks, and (3) facilitating the generalization of learned behaviors to new tasks unknown during the evolution phase.

While there is an immense literature on Bayesian methods for clustering, the multiview case has received little attention. This problem focuses on obtaining distinct but statistically dependent clusterings in a common set of entities for different data types. For example, clustering patients into subgroups with subgroup membership varying according to the domain of the patient variables. A challenge is how to model the across-view dependence between the partitions of patients into subgroups. The complexities of the partition space make standard methods to model dependence, such as correlation, infeasible. In this article, we propose CLustering with Independence Centering (CLIC), a clustering prior that uses a single parameter to explicitly model dependence between clusterings across views. CLIC is induced by the product centered Dirichlet process (PCDP), a novel hierarchical prior that bridges between independent and equivalent partitions. We show appealing theoretic properties, provide a finite approximation and prove its accuracy, present a marginal Gibbs sampler for posterior computation, and derive closed form expressions for the marginal and joint partition distributions for the CLIC model. On synthetic data and in an application to epidemiology, CLIC accurately characterizes view-specific partitions while providing inference on the dependence level.

Recent progress in inpainting increasingly relies on generative models, leveraging their strong generation capabilities for addressing ill-conditioned problems. However, this enhanced generation often introduces instability, leading to arbitrary object generation within masked regions. This paper proposes a balanced solution, emphasizing the importance of unmasked regions in guiding inpainting while preserving generative capacity. Our approach, Aligned Stable Inpainting with UnKnown Areas Prior (ASUKA), employs a reconstruction-based masked auto-encoder (MAE) as a stable prior. Aligned with the robust Stable Diffusion inpainting model (SD), ASUKA significantly improves inpainting stability. ASUKA further aligns masked and unmasked regions through an inpainting-specialized decoder, ensuring more faithful inpainting. To validate effectiveness across domains and masking scenarios, we evaluate on MISATO, a collection of several existing dataset. Results confirm ASUKA's efficacy in both stability and fidelity compared to SD and other inpainting algorithms.

Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.

Embedding models for deterministic Knowledge Graphs (KG) have been extensively studied, with the purpose of capturing latent semantic relations between entities and incorporating the structured knowledge into machine learning. However, there are many KGs that model uncertain knowledge, which typically model the inherent uncertainty of relations facts with a confidence score, and embedding such uncertain knowledge represents an unresolved challenge. The capturing of uncertain knowledge will benefit many knowledge-driven applications such as question answering and semantic search by providing more natural characterization of the knowledge. In this paper, we propose a novel uncertain KG embedding model UKGE, which aims to preserve both structural and uncertainty information of relation facts in the embedding space. Unlike previous models that characterize relation facts with binary classification techniques, UKGE learns embeddings according to the confidence scores of uncertain relation facts. To further enhance the precision of UKGE, we also introduce probabilistic soft logic to infer confidence scores for unseen relation facts during training. We propose and evaluate two variants of UKGE based on different learning objectives. Experiments are conducted on three real-world uncertain KGs via three tasks, i.e. confidence prediction, relation fact ranking, and relation fact classification. UKGE shows effectiveness in capturing uncertain knowledge by achieving promising results on these tasks, and consistently outperforms baselines on these tasks.

It is always well believed that modeling relationships between objects would be helpful for representing and eventually describing an image. Nevertheless, there has not been evidence in support of the idea on image description generation. In this paper, we introduce a new design to explore the connections between objects for image captioning under the umbrella of attention-based encoder-decoder framework. Specifically, we present Graph Convolutional Networks plus Long Short-Term Memory (dubbed as GCN-LSTM) architecture that novelly integrates both semantic and spatial object relationships into image encoder. Technically, we build graphs over the detected objects in an image based on their spatial and semantic connections. The representations of each region proposed on objects are then refined by leveraging graph structure through GCN. With the learnt region-level features, our GCN-LSTM capitalizes on LSTM-based captioning framework with attention mechanism for sentence generation. Extensive experiments are conducted on COCO image captioning dataset, and superior results are reported when comparing to state-of-the-art approaches. More remarkably, GCN-LSTM increases CIDEr-D performance from 120.1% to 128.7% on COCO testing set.