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Momentum space transformations for incommensurate 2D electronic structure calculations are fundamental for reducing computational cost and for representing the data in a more physically motivating format, as exemplified in the Bistritzer-MacDonald model. However, these transformations can be difficult to implement in more complex systems such as when mechanical relaxation patterns are present. In this work, we aim for two objectives. Firstly, we strive to simplify the understanding and implementation of this transformation by rigorously writing the transformations between the four relevant spaces, which we denote real space, configuration space, momentum space, and reciprocal space. This provides a straight-forward algorithm for writing the complex momentum space model from the original real space model. Secondly, we implement this for twisted bilayer graphene with mechanical relaxation affects included. We also analyze the convergence rates of the approximations, and show the tight-binding coupling range increases for smaller relative twists between layers, demonstrating that the 3-nearest neighbor coupling of the Bistritzer-MacDonald model is insufficient when mechanical relaxation is included for very small angles. We quantify this and verify with numerical simulation.

For text-to-speech (TTS) synthesis, prosodic structure prediction (PSP) plays an important role in producing natural and intelligible speech. Although inter-utterance linguistic information can influence the speech interpretation of the target utterance, previous works on PSP mainly focus on utilizing intrautterance linguistic information of the current utterance only. This work proposes to use inter-utterance linguistic information to improve the performance of PSP. Multi-level contextual information, which includes both inter-utterance and intrautterance linguistic information, is extracted by a hierarchical encoder from character level, utterance level and discourse level of the input text. Then a multi-task learning (MTL) decoder predicts prosodic boundaries from multi-level contextual information. Objective evaluation results on two datasets show that our method achieves better F1 scores in predicting prosodic word (PW), prosodic phrase (PPH) and intonational phrase (IPH). It demonstrates the effectiveness of using multi-level contextual information for PSP. Subjective preference tests also indicate the naturalness of synthesized speeches are improved.

We propose augmenting the empathetic capacities of social robots by integrating non-verbal cues. Our primary contribution is the design and labeling of four types of empathetic non-verbal cues, abbreviated as SAFE: Speech, Action (gesture), Facial expression, and Emotion, in a social robot. These cues are generated using a Large Language Model (LLM). We developed an LLM-based conversational system for the robot and assessed its alignment with social cues as defined by human counselors. Preliminary results show distinct patterns in the robot's responses, such as a preference for calm and positive social emotions like 'joy' and 'lively', and frequent nodding gestures. Despite these tendencies, our approach has led to the development of a social robot capable of context-aware and more authentic interactions. Our work lays the groundwork for future studies on human-robot interactions, emphasizing the essential role of both verbal and non-verbal cues in creating social and empathetic robots.

In Chinese text recognition, to compensate for the insufficient local data and improve the performance of local few-shot character recognition, it is often necessary for one organization to collect a large amount of data from similar organizations. However, due to the natural presence of private information in text data, such as addresses and phone numbers, different organizations are unwilling to share private data. Therefore, it becomes increasingly important to design a privacy-preserving collaborative training framework for the Chinese text recognition task. In this paper, we introduce personalized federated learning (pFL) into the Chinese text recognition task and propose the pFedCR algorithm, which significantly improves the model performance of each client (organization) without sharing private data. Specifically, pFedCR comprises two stages: multiple rounds of global model training stage and the the local personalization stage. During stage 1, an attention mechanism is incorporated into the CRNN model to adapt to various client data distributions. Leveraging inherent character data characteristics, a balanced dataset is created on the server to mitigate character imbalance. In the personalization phase, the global model is fine-tuned for one epoch to create a local model. Parameter averaging between local and global models combines personalized and global feature extraction capabilities. Finally, we fine-tune only the attention layers to enhance its focus on local personalized features. The experimental results on three real-world industrial scenario datasets show that the pFedCR algorithm can improve the performance of local personalized models by about 20\% while also improving their generalization performance on other client data domains. Compared to other state-of-the-art personalized federated learning methods, pFedCR improves performance by 6\% $\sim$ 8\%.

Distance-based clustering and classification are widely used in various fields to group mixed numeric and categorical data. In many algorithms, a predefined distance measurement is used to cluster data points based on their dissimilarity. While there exist numerous distance-based measures for data with pure numerical attributes and several ordered and unordered categorical metrics, an efficient and accurate distance for mixed-type data that utilizes the continuous and discrete properties simulatenously is an open problem. Many metrics convert numerical attributes to categorical ones or vice versa. They handle the data points as a single attribute type or calculate a distance between each attribute separately and add them up. We propose a metric called KDSUM that uses mixed kernels to measure dissimilarity, with cross-validated optimal bandwidth selection. We demonstrate that KDSUM is a shrinkage method from existing mixed-type metrics to a uniform dissimilarity metric, and improves clustering accuracy when utilized in existing distance-based clustering algorithms on simulated and real-world datasets containing continuous-only, categorical-only, and mixed-type data.

Recent artificial intelligence (AI) systems have reached milestones in "grand challenges" ranging from Go to protein-folding. The capability to retrieve medical knowledge, reason over it, and answer medical questions comparably to physicians has long been viewed as one such grand challenge. Large language models (LLMs) have catalyzed significant progress in medical question answering; Med-PaLM was the first model to exceed a "passing" score in US Medical Licensing Examination (USMLE) style questions with a score of 67.2% on the MedQA dataset. However, this and other prior work suggested significant room for improvement, especially when models' answers were compared to clinicians' answers. Here we present Med-PaLM 2, which bridges these gaps by leveraging a combination of base LLM improvements (PaLM 2), medical domain finetuning, and prompting strategies including a novel ensemble refinement approach. Med-PaLM 2 scored up to 86.5% on the MedQA dataset, improving upon Med-PaLM by over 19% and setting a new state-of-the-art. We also observed performance approaching or exceeding state-of-the-art across MedMCQA, PubMedQA, and MMLU clinical topics datasets. We performed detailed human evaluations on long-form questions along multiple axes relevant to clinical applications. In pairwise comparative ranking of 1066 consumer medical questions, physicians preferred Med-PaLM 2 answers to those produced by physicians on eight of nine axes pertaining to clinical utility (p < 0.001). We also observed significant improvements compared to Med-PaLM on every evaluation axis (p < 0.001) on newly introduced datasets of 240 long-form "adversarial" questions to probe LLM limitations. While further studies are necessary to validate the efficacy of these models in real-world settings, these results highlight rapid progress towards physician-level performance in medical question answering.

Graph Neural Networks (GNNs) have shown promising results on a broad spectrum of applications. Most empirical studies of GNNs directly take the observed graph as input, assuming the observed structure perfectly depicts the accurate and complete relations between nodes. However, graphs in the real world are inevitably noisy or incomplete, which could even exacerbate the quality of graph representations. In this work, we propose a novel Variational Information Bottleneck guided Graph Structure Learning framework, namely VIB-GSL, in the perspective of information theory. VIB-GSL advances the Information Bottleneck (IB) principle for graph structure learning, providing a more elegant and universal framework for mining underlying task-relevant relations. VIB-GSL learns an informative and compressive graph structure to distill the actionable information for specific downstream tasks. VIB-GSL deduces a variational approximation for irregular graph data to form a tractable IB objective function, which facilitates training stability. Extensive experimental results demonstrate that the superior effectiveness and robustness of VIB-GSL.

Graph Neural Networks (GNNs) have proven to be useful for many different practical applications. However, many existing GNN models have implicitly assumed homophily among the nodes connected in the graph, and therefore have largely overlooked the important setting of heterophily, where most connected nodes are from different classes. In this work, we propose a novel framework called CPGNN that generalizes GNNs for graphs with either homophily or heterophily. The proposed framework incorporates an interpretable compatibility matrix for modeling the heterophily or homophily level in the graph, which can be learned in an end-to-end fashion, enabling it to go beyond the assumption of strong homophily. Theoretically, we show that replacing the compatibility matrix in our framework with the identity (which represents pure homophily) reduces to GCN. Our extensive experiments demonstrate the effectiveness of our approach in more realistic and challenging experimental settings with significantly less training data compared to previous works: CPGNN variants achieve state-of-the-art results in heterophily settings with or without contextual node features, while maintaining comparable performance in homophily settings.

Aspect level sentiment classification aims to identify the sentiment expressed towards an aspect given a context sentence. Previous neural network based methods largely ignore the syntax structure in one sentence. In this paper, we propose a novel target-dependent graph attention network (TD-GAT) for aspect level sentiment classification, which explicitly utilizes the dependency relationship among words. Using the dependency graph, it propagates sentiment features directly from the syntactic context of an aspect target. In our experiments, we show our method outperforms multiple baselines with GloVe embeddings. We also demonstrate that using BERT representations further substantially boosts the performance.

It is important to detect anomalous inputs when deploying machine learning systems. The use of larger and more complex inputs in deep learning magnifies the difficulty of distinguishing between anomalous and in-distribution examples. At the same time, diverse image and text data are available in enormous quantities. We propose leveraging these data to improve deep anomaly detection by training anomaly detectors against an auxiliary dataset of outliers, an approach we call Outlier Exposure (OE). This enables anomaly detectors to generalize and detect unseen anomalies. In extensive experiments on natural language processing and small- and large-scale vision tasks, we find that Outlier Exposure significantly improves detection performance. We also observe that cutting-edge generative models trained on CIFAR-10 may assign higher likelihoods to SVHN images than to CIFAR-10 images; we use OE to mitigate this issue. We also analyze the flexibility and robustness of Outlier Exposure, and identify characteristics of the auxiliary dataset that improve performance.