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This paper presents Mechanistic Neural Networks, a neural network design for machine learning applications in the sciences. It incorporates a new Mechanistic Block in standard architectures to explicitly learn governing differential equations as representations, revealing the underlying dynamics of data and enhancing interpretability and efficiency in data modeling. Central to our approach is a novel Relaxed Linear Programming Solver (NeuRLP) inspired by a technique that reduces solving linear ODEs to solving linear programs. This integrates well with neural networks and surpasses the limitations of traditional ODE solvers enabling scalable GPU parallel processing. Overall, Mechanistic Neural Networks demonstrate their versatility for scientific machine learning applications, adeptly managing tasks from equation discovery to dynamic systems modeling. We prove their comprehensive capabilities in analyzing and interpreting complex scientific data across various applications, showing significant performance against specialized state-of-the-art methods.

Nuclei classification is a critical step in computer-aided diagnosis with histopathology images. In the past, various methods have employed graph neural networks (GNN) to analyze cell graphs that model inter-cell relationships by considering nuclei as vertices. However, they are limited by the GNN mechanism that only passes messages among local nodes via fixed edges. To address the issue, we develop a cell graph transformer (CGT) that treats nodes and edges as input tokens to enable learnable adjacency and information exchange among all nodes. Nevertheless, training the transformer with a cell graph presents another challenge. Poorly initialized features can lead to noisy self-attention scores and inferior convergence, particularly when processing the cell graphs with numerous connections. Thus, we further propose a novel topology-aware pretraining method that leverages a graph convolutional network (GCN) to learn a feature extractor. The pre-trained features may suppress unreasonable correlations and hence ease the finetuning of CGT. Experimental results suggest that the proposed cell graph transformer with topology-aware pretraining significantly improves the nuclei classification results, and achieves the state-of-the-art performance. Code and models are available at //github.com/lhaof/CGT

Large language models (LLMs) are accelerating the development of language-guided robot planners. Meanwhile, symbolic planners offer the advantage of interpretability. This paper proposes a new task that bridges these two trends, namely, multimodal planning problem specification. The aim is to generate a problem description (PD), a machine-readable file used by the planners to find a plan. By generating PDs from language instruction and scene observation, we can drive symbolic planners in a language-guided framework. We propose a Vision-Language Interpreter (ViLaIn), a new framework that generates PDs using state-of-the-art LLM and vision-language models. ViLaIn can refine generated PDs via error message feedback from the symbolic planner. Our aim is to answer the question: How accurately can ViLaIn and the symbolic planner generate valid robot plans? To evaluate ViLaIn, we introduce a novel dataset called the problem description generation (ProDG) dataset. The framework is evaluated with four new evaluation metrics. Experimental results show that ViLaIn can generate syntactically correct problems with more than 99\% accuracy and valid plans with more than 58\% accuracy. Our code and dataset are available at //github.com/omron-sinicx/ViLaIn.

For reinforcement learning on complex stochastic systems, it is desirable to effectively leverage the information from historical samples collected in previous iterations to accelerate policy optimization. Classical experience replay, while effective, treats all observations uniformly, neglecting their relative importance. To address this limitation, we introduce a novel Variance Reduction Experience Replay (VRER) framework, enabling the selective reuse of relevant samples to improve policy gradient estimation. VRER, as an adaptable method that can seamlessly integrate with different policy optimization algorithms, forms the foundation of our sample-efficient off-policy algorithm known as Policy Optimization with VRER (PG-VRER). Furthermore, the lack of a rigorous theoretical understanding of the experience replay method in the literature motivates us to introduce a novel theoretical framework that accounts for sample dependencies induced by Markovian noise and behavior policy interdependencies. This framework is then employed to analyze the finite-time convergence of our VRER-based policy optimization algorithm, revealing a crucial bias-variance trade-off in policy gradient estimates: the reuse of old experience introduces increased bias while simultaneously reducing gradient variance. Extensive experiments have shown that VRER offers a notable acceleration in learning optimal policies and enhances the performance of state-of-the-art (SOTA) policy optimization approaches.

Various data augmentation techniques have been recently proposed in image-based deep reinforcement learning (DRL). Although they empirically demonstrate the effectiveness of data augmentation for improving sample efficiency or generalization, which technique should be preferred is not always clear. To tackle this question, we analyze existing methods to better understand them and to uncover how they are connected. Notably, by expressing the variance of the Q-targets and that of the empirical actor/critic losses of these methods, we can analyze the effects of their different components and compare them. We furthermore formulate an explanation about how these methods may be affected by choosing different data augmentation transformations in calculating the target Q-values. This analysis suggests recommendations on how to exploit data augmentation in a more principled way. In addition, we include a regularization term called tangent prop, previously proposed in computer vision, but whose adaptation to DRL is novel to the best of our knowledge. We evaluate our proposition and validate our analysis in several domains. Compared to different relevant baselines, we demonstrate that it achieves state-of-the-art performance in most environments and shows higher sample efficiency and better generalization ability in some complex environments.

Distributionally robust optimization has emerged as an attractive way to train robust machine learning models, capturing data uncertainty and distribution shifts. Recent statistical analyses have proved that robust models built from Wasserstein ambiguity sets have nice generalization guarantees, breaking the curse of dimensionality. However, these results are obtained in specific cases, at the cost of approximations, or under assumptions difficult to verify in practice. In contrast, we establish, in this article, exact generalization guarantees that cover all practical cases, including any transport cost function and any loss function, potentially non-convex and nonsmooth. For instance, our result applies to deep learning, without requiring restrictive assumptions. We achieve this result through a novel proof technique that combines nonsmooth analysis rationale with classical concentration results. Our approach is general enough to extend to the recent versions of Wasserstein/Sinkhorn distributionally robust problems that involve (double) regularizations.

Deep neural networks (DNNs) have succeeded in many different perception tasks, e.g., computer vision, natural language processing, reinforcement learning, etc. The high-performed DNNs heavily rely on intensive resource consumption. For example, training a DNN requires high dynamic memory, a large-scale dataset, and a large number of computations (a long training time); even inference with a DNN also demands a large amount of static storage, computations (a long inference time), and energy. Therefore, state-of-the-art DNNs are often deployed on a cloud server with a large number of super-computers, a high-bandwidth communication bus, a shared storage infrastructure, and a high power supplement. Recently, some new emerging intelligent applications, e.g., AR/VR, mobile assistants, Internet of Things, require us to deploy DNNs on resource-constrained edge devices. Compare to a cloud server, edge devices often have a rather small amount of resources. To deploy DNNs on edge devices, we need to reduce the size of DNNs, i.e., we target a better trade-off between resource consumption and model accuracy. In this dissertation, we studied four edge intelligence scenarios, i.e., Inference on Edge Devices, Adaptation on Edge Devices, Learning on Edge Devices, and Edge-Server Systems, and developed different methodologies to enable deep learning in each scenario. Since current DNNs are often over-parameterized, our goal is to find and reduce the redundancy of the DNNs in each scenario.

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.

Edge intelligence refers to a set of connected systems and devices for data collection, caching, processing, and analysis in locations close to where data is captured based on artificial intelligence. The aim of edge intelligence is to enhance the quality and speed of data processing and protect the privacy and security of the data. Although recently emerged, spanning the period from 2011 to now, this field of research has shown explosive growth over the past five years. In this paper, we present a thorough and comprehensive survey on the literature surrounding edge intelligence. We first identify four fundamental components of edge intelligence, namely edge caching, edge training, edge inference, and edge offloading, based on theoretical and practical results pertaining to proposed and deployed systems. We then aim for a systematic classification of the state of the solutions by examining research results and observations for each of the four components and present a taxonomy that includes practical problems, adopted techniques, and application goals. For each category, we elaborate, compare and analyse the literature from the perspectives of adopted techniques, objectives, performance, advantages and drawbacks, etc. This survey article provides a comprehensive introduction to edge intelligence and its application areas. In addition, we summarise the development of the emerging research field and the current state-of-the-art and discuss the important open issues and possible theoretical and technical solutions.

Attention networks in multimodal learning provide an efficient way to utilize given visual information selectively. However, the computational cost to learn attention distributions for every pair of multimodal input channels is prohibitively expensive. To solve this problem, co-attention builds two separate attention distributions for each modality neglecting the interaction between multimodal inputs. In this paper, we propose bilinear attention networks (BAN) that find bilinear attention distributions to utilize given vision-language information seamlessly. BAN considers bilinear interactions among two groups of input channels, while low-rank bilinear pooling extracts the joint representations for each pair of channels. Furthermore, we propose a variant of multimodal residual networks to exploit eight-attention maps of the BAN efficiently. We quantitatively and qualitatively evaluate our model on visual question answering (VQA 2.0) and Flickr30k Entities datasets, showing that BAN significantly outperforms previous methods and achieves new state-of-the-arts on both datasets.