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The performance of stochastic gradient descent (SGD), which is the simplest first-order optimizer for training deep neural networks, depends on not only the learning rate but also the batch size. They both affect the number of iterations and the stochastic first-order oracle (SFO) complexity needed for training. In particular, the previous numerical results indicated that, for SGD using a constant learning rate, the number of iterations needed for training decreases when the batch size increases, and the SFO complexity needed for training is minimized at a critical batch size and that it increases once the batch size exceeds that size. Here, we study the relationship between batch size and the iteration and SFO complexities needed for nonconvex optimization in deep learning with SGD using constant or decaying learning rates and show that SGD using the critical batch size minimizes the SFO complexity. We also provide numerical comparisons of SGD with the existing first-order optimizers and show the usefulness of SGD using a critical batch size. Moreover, we show that measured critical batch sizes are close to the sizes estimated from our theoretical results.

Graph contrastive learning (GCL) has emerged as a state-of-the-art strategy for learning representations of diverse graphs including social and biomedical networks. GCL widely uses stochastic graph topology augmentation, such as uniform node dropping, to generate augmented graphs. However, such stochastic augmentations may severely damage the intrinsic properties of a graph and deteriorate the following representation learning process. We argue that incorporating an awareness of cohesive subgraphs during the graph augmentation and learning processes has the potential to enhance GCL performance. To this end, we propose a novel unified framework called CTAug, to seamlessly integrate cohesion awareness into various existing GCL mechanisms. In particular, CTAug comprises two specialized modules: topology augmentation enhancement and graph learning enhancement. The former module generates augmented graphs that carefully preserve cohesion properties, while the latter module bolsters the graph encoder's ability to discern subgraph patterns. Theoretical analysis shows that CTAug can strictly improve existing GCL mechanisms. Empirical experiments verify that CTAug can achieve state-of-the-art performance for graph representation learning, especially for graphs with high degrees. The code is available at //doi.org/10.5281/zenodo.10594093, or //github.com/wuyucheng2002/CTAug.

There has been a growing effort to replace manual extraction of data from research papers with automated data extraction based on natural language processing, language models, and recently, large language models (LLMs). Although these methods enable efficient extraction of data from large sets of research papers, they require a significant amount of up-front effort, expertise, and coding. In this work we propose the ChatExtract method that can fully automate very accurate data extraction with minimal initial effort and background, using an advanced conversational LLM. ChatExtract consists of a set of engineered prompts applied to a conversational LLM that both identify sentences with data, extract that data, and assure the data's correctness through a series of follow-up questions. These follow-up questions largely overcome known issues with LLMs providing factually inaccurate responses. ChatExtract can be applied with any conversational LLMs and yields very high quality data extraction. In tests on materials data we find precision and recall both close to 90% from the best conversational LLMs, like ChatGPT-4. We demonstrate that the exceptional performance is enabled by the information retention in a conversational model combined with purposeful redundancy and introducing uncertainty through follow-up prompts. These results suggest that approaches similar to ChatExtract, due to their simplicity, transferability, and accuracy are likely to become powerful tools for data extraction in the near future. Finally, databases for critical cooling rates of metallic glasses and yield strengths of high entropy alloys are developed using ChatExtract.

This study delves into the enhancement of Under-Display Camera (UDC) image restoration models, focusing on their robustness against adversarial attacks. Despite its innovative approach to seamless display integration, UDC technology faces unique image degradation challenges exacerbated by the susceptibility to adversarial perturbations. Our research initially conducts an in-depth robustness evaluation of deep-learning-based UDC image restoration models by employing several white-box and black-box attacking methods. This evaluation is pivotal in understanding the vulnerabilities of current UDC image restoration techniques. Following the assessment, we introduce a defense framework integrating adversarial purification with subsequent fine-tuning processes. First, our approach employs diffusion-based adversarial purification, effectively neutralizing adversarial perturbations. Then, we apply the fine-tuning methodologies to refine the image restoration models further, ensuring that the quality and fidelity of the restored images are maintained. The effectiveness of our proposed approach is validated through extensive experiments, showing marked improvements in resilience against typical adversarial attacks.

Image processing is a fundamental task in computer vision, which aims at enhancing image quality and extracting essential features for subsequent vision applications. Traditionally, task-specific models are developed for individual tasks and designing such models requires distinct expertise. Building upon the success of large language models (LLMs) in natural language processing (NLP), there is a similar trend in computer vision, which focuses on developing large-scale models through pretraining and in-context learning. This paradigm shift reduces the reliance on task-specific models, yielding a powerful unified model to deal with various tasks. However, these advances have predominantly concentrated on high-level vision tasks, with less attention paid to low-level vision tasks. To address this issue, we propose a universal model for general image processing that covers image restoration, image enhancement, image feature extraction tasks, etc. Our proposed framework, named PromptGIP, unifies these diverse image processing tasks within a universal framework. Inspired by NLP question answering (QA) techniques, we employ a visual prompting question answering paradigm. Specifically, we treat the input-output image pair as a structured question-answer sentence, thereby reprogramming the image processing task as a prompting QA problem. PromptGIP can undertake diverse cross-domain tasks using provided visual prompts, eliminating the need for task-specific finetuning. Our methodology offers a universal and adaptive solution to general image processing. While PromptGIP has demonstrated a certain degree of out-of-domain task generalization capability, further research is expected to fully explore its more powerful emergent generalization.

Multi-agent reinforcement learning (MARL) is well-suited for runtime decision-making in optimizing the performance of systems where multiple agents coexist and compete for shared resources. However, applying common deep learning-based MARL solutions to real-world problems suffers from issues of interpretability, sample efficiency, partial observability, etc. To address these challenges, we present an event-driven formulation, where decision-making is handled by distributed co-operative MARL agents using neuro-symbolic methods. The recently introduced neuro-symbolic Logical Neural Networks (LNN) framework serves as a function approximator for the RL, to train a rules-based policy that is both logical and interpretable by construction. To enable decision-making under uncertainty and partial observability, we developed a novel probabilistic neuro-symbolic framework, Probabilistic Logical Neural Networks (PLNN), which combines the capabilities of logical reasoning with probabilistic graphical models. In PLNN, the upward/downward inference strategy, inherited from LNN, is coupled with belief bounds by setting the activation function for the logical operator associated with each neural network node to a probability-respecting generalization of the Fr\'echet inequalities. These PLNN nodes form the unifying element that combines probabilistic logic and Bayes Nets, permitting inference for variables with unobserved states. We demonstrate our contributions by addressing key MARL challenges for power sharing in a system-on-chip application.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of GNNs. Although most of GNNs basically follow a message passing manner, litter effort has been made to discover and analyze their essential relations. In this paper, we establish a surprising connection between different propagation mechanisms with a unified optimization problem, showing that despite the proliferation of various GNNs, in fact, their proposed propagation mechanisms are the optimal solution optimizing a feature fitting function over a wide class of graph kernels with a graph regularization term. Our proposed unified optimization framework, summarizing the commonalities between several of the most representative GNNs, not only provides a macroscopic view on surveying the relations between different GNNs, but also further opens up new opportunities for flexibly designing new GNNs. With the proposed framework, we discover that existing works usually utilize naive graph convolutional kernels for feature fitting function, and we further develop two novel objective functions considering adjustable graph kernels showing low-pass or high-pass filtering capabilities respectively. Moreover, we provide the convergence proofs and expressive power comparisons for the proposed models. Extensive experiments on benchmark datasets clearly show that the proposed GNNs not only outperform the state-of-the-art methods but also have good ability to alleviate over-smoothing, and further verify the feasibility for designing GNNs with our unified optimization framework.

Pre-trained deep neural network language models such as ELMo, GPT, BERT and XLNet have recently achieved state-of-the-art performance on a variety of language understanding tasks. However, their size makes them impractical for a number of scenarios, especially on mobile and edge devices. In particular, the input word embedding matrix accounts for a significant proportion of the model's memory footprint, due to the large input vocabulary and embedding dimensions. Knowledge distillation techniques have had success at compressing large neural network models, but they are ineffective at yielding student models with vocabularies different from the original teacher models. We introduce a novel knowledge distillation technique for training a student model with a significantly smaller vocabulary as well as lower embedding and hidden state dimensions. Specifically, we employ a dual-training mechanism that trains the teacher and student models simultaneously to obtain optimal word embeddings for the student vocabulary. We combine this approach with learning shared projection matrices that transfer layer-wise knowledge from the teacher model to the student model. Our method is able to compress the BERT_BASE model by more than 60x, with only a minor drop in downstream task metrics, resulting in a language model with a footprint of under 7MB. Experimental results also demonstrate higher compression efficiency and accuracy when compared with other state-of-the-art compression techniques.