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This paper proposes a novel federated algorithm that leverages momentum-based variance reduction with adaptive learning to address non-convex settings across heterogeneous data. We intend to minimize communication and computation overhead, thereby fostering a sustainable federated learning system. We aim to overcome challenges related to gradient variance, which hinders the model's efficiency, and the slow convergence resulting from learning rate adjustments with heterogeneous data. The experimental results on the image classification tasks with heterogeneous data reveal the effectiveness of our suggested algorithms in non-convex settings with an improved communication complexity of $\mathcal{O}(\epsilon^{-1})$ to converge to an $\epsilon$-stationary point - compared to the existing communication complexity $\mathcal{O}(\epsilon^{-2})$ of most prior works. The proposed federated version maintains the trade-off between the convergence rate, number of communication rounds, and test accuracy while mitigating the client drift in heterogeneous settings. The experimental results demonstrate the efficiency of our algorithms in image classification tasks (MNIST, CIFAR-10) with heterogeneous data.

This paper presents a simplified weak Galerkin (WG) finite element method for solving biharmonic equations avoiding the use of traditional stabilizers. The proposed WG method supports both convex and non-convex polytopal elements in finite element partitions, utilizing bubble functions as a critical analytical tool. The simplified WG method is symmetric and positive definite. Optimal-order error estimates are established for WG approximations in both the discrete $H^2$ norm and the $L^2$ norm.

Obtaining high certainty in predictive models is crucial for making informed and trustworthy decisions in many scientific and engineering domains. However, extensive experimentation required for model accuracy can be both costly and time-consuming. This paper presents an adaptive sampling approach designed to reduce epistemic uncertainty in predictive models. Our primary contribution is the development of a metric that estimates potential epistemic uncertainty leveraging prediction interval-generation neural networks. This estimation relies on the distance between the predicted upper and lower bounds and the observed data at the tested positions and their neighboring points. Our second contribution is the proposal of a batch sampling strategy based on Gaussian processes (GPs). A GP is used as a surrogate model of the networks trained at each iteration of the adaptive sampling process. Using this GP, we design an acquisition function that selects a combination of sampling locations to maximize the reduction of epistemic uncertainty across the domain. We test our approach on three unidimensional synthetic problems and a multi-dimensional dataset based on an agricultural field for selecting experimental fertilizer rates. The results demonstrate that our method consistently converges faster to minimum epistemic uncertainty levels compared to Normalizing Flows Ensembles, MC-Dropout, and simple GPs.

This paper introduces a novel semi-supervised learning framework specifically designed for text classification tasks, effectively addressing the challenge of vast datasets with limited labeled examples. By integrating multi-level similarity based data augmentation techniques from Retrieval-Augmented Generation (RAG) to Large Language Model (LLM) rewriting and traditional word substitution-we constructed an intelligent augmentation pipeline. This framework innovatively employs the selection of representative landmarks through clustering, which serve as intermediaries in the retrieval and rewriting processes, ensuring that the augmented data maintains a distribution similar to the original dataset. Empirical results show that even in complex text document classification scenarios with over 100 categories, our method achieves state-of-the-art accuracies of 95.41% and 82.43% on the Reuters and Web of Science datasets, respectively. These findings highlight the effectiveness and broad applicability of our semi-supervised learning approach for text classification tasks.

We study the Out-of-Distribution (OOD) generalization in machine learning and propose a general framework that establishes information-theoretic generalization bounds. Our framework interpolates freely between Integral Probability Metric (IPM) and $f$-divergence, which naturally recovers some known results (including Wasserstein- and KL-bounds), as well as yields new generalization bounds. Additionally, we show that our framework admits an optimal transport interpretation. When evaluated in two concrete examples, the proposed bounds either strictly improve upon existing bounds in some cases or match the best existing OOD generalization bounds. Moreover, by focusing on $f$-divergence and combining it with the Conditional Mutual Information (CMI) methods, we derive a family of CMI-based generalization bounds, which include the state-of-the-art ICIMI bound as a special instance. Finally, leveraging these findings, we analyze the generalization of the Stochastic Gradient Langevin Dynamics (SGLD) algorithm, showing that our derived generalization bounds outperform existing information-theoretic generalization bounds in certain scenarios.

This paper presents a novel method to generate differentially private tabular datasets for hierarchical data, with a specific focus on origin-destination (O/D) trips. The approach builds upon the TopDown algorithm, a constraint-based mechanism designed to incorporate invariant queries into tabular data, developed by the US Census. O/D hierarchical data refers to datasets representing trips between geographical areas organized in a hierarchical structure (e.g., region $\rightarrow$ province $\rightarrow$ city). The developed method is crafted to improve accuracy on queries spanning wider geographical areas that can be obtained by aggregation. Maintaining high accuracy for aggregated geographical queries is a crucial attribute of the differentially private dataset, particularly for practitioners. Furthermore, the approach is designed to minimize false positives detection and to replicate the sparsity of the sensitive data. The key technical contributions of this paper include a novel TopDown algorithm that employs constrained optimization with Chebyshev distance minimization, with theoretical guarantees based on the maximum absolute error. Additionally, we propose a new integer optimization algorithm that significantly reduces the incidence of false positives. The effectiveness of the proposed approach is validated using both real-world and synthetic O/D datasets, demonstrating its ability to generate private data with high utility and a reduced number of false positives. We emphasize that the proposed algorithm is applicable to any tabular data with a hierarchical structure.

Molecular design and synthesis planning are two critical steps in the process of molecular discovery that we propose to formulate as a single shared task of conditional synthetic pathway generation. We report an amortized approach to generate synthetic pathways as a Markov decision process conditioned on a target molecular embedding. This approach allows us to conduct synthesis planning in a bottom-up manner and design synthesizable molecules by decoding from optimized conditional codes, demonstrating the potential to solve both problems of design and synthesis simultaneously. The approach leverages neural networks to probabilistically model the synthetic trees, one reaction step at a time, according to reactivity rules encoded in a discrete action space of reaction templates. We train these networks on hundreds of thousands of artificial pathways generated from a pool of purchasable compounds and a list of expert-curated templates. We validate our method with (a) the recovery of molecules using conditional generation, (b) the identification of synthesizable structural analogs, and (c) the optimization of molecular structures given oracle functions relevant to drug discovery.

As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.

We propose a novel approach to multimodal sentiment analysis using deep neural networks combining visual analysis and natural language processing. Our goal is different than the standard sentiment analysis goal of predicting whether a sentence expresses positive or negative sentiment; instead, we aim to infer the latent emotional state of the user. Thus, we focus on predicting the emotion word tags attached by users to their Tumblr posts, treating these as "self-reported emotions." We demonstrate that our multimodal model combining both text and image features outperforms separate models based solely on either images or text. Our model's results are interpretable, automatically yielding sensible word lists associated with emotions. We explore the structure of emotions implied by our model and compare it to what has been posited in the psychology literature, and validate our model on a set of images that have been used in psychology studies. Finally, our work also provides a useful tool for the growing academic study of images - both photographs and memes - on social networks.

We propose a new method for event extraction (EE) task based on an imitation learning framework, specifically, inverse reinforcement learning (IRL) via generative adversarial network (GAN). The GAN estimates proper rewards according to the difference between the actions committed by the expert (or ground truth) and the agent among complicated states in the environment. EE task benefits from these dynamic rewards because instances and labels yield to various extents of difficulty and the gains are expected to be diverse -- e.g., an ambiguous but correctly detected trigger or argument should receive high gains -- while the traditional RL models usually neglect such differences and pay equal attention on all instances. Moreover, our experiments also demonstrate that the proposed framework outperforms state-of-the-art methods, without explicit feature engineering.