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Optimal transport is a fundamental topic that has attracted a great amount of attention from the optimization community in the past decades. In this paper, we consider an interesting discrete dynamic optimal transport problem: can we efficiently update the optimal transport plan when the weights or the locations of the data points change? This problem is naturally motivated by several applications in machine learning. For example, we often need to compute the optimal transport cost between two different data sets; if some changes happen to a few data points, should we re-compute the high complexity cost function or update the cost by some efficient dynamic data structure? We are aware that several dynamic maximum flow algorithms have been proposed before, however, the research on dynamic minimum cost flow problem is still quite limited, to the best of our knowledge. We propose a novel 2D Skip Orthogonal List together with some dynamic tree techniques. Although our algorithm is based on the conventional simplex method, it can efficiently find the variable to pivot within expected $O(1)$ time, and complete each pivoting operation within expected $O(|V|)$ time where $V$ is the set of all supply and demand nodes. Since dynamic modifications typically do not introduce significant changes, our algorithm requires only a few simplex iterations in practice. So our algorithm is more efficient than re-computing the optimal transport cost that needs at least one traversal over all $|E| = O(|V|^2)$ variables, where $|E|$ denotes the number of edges in the network. Our experiments demonstrate that our algorithm significantly outperforms existing algorithms in the dynamic scenarios.

We develop an autonomous navigation algorithm for a robot operating in two-dimensional environments containing obstacles, with arbitrary non-convex shapes, which can be in close proximity with each other, as long as there exists at least one safe path connecting the initial and the target location. An instrumental transformation that modifies (virtually) the non-convex obstacles, in a non-conservative manner, is introduced to facilitate the design of the obstacle-avoidance strategy. The proposed navigation approach relies on a hybrid feedback that guarantees global asymptotic stabilization of a target location while ensuring the forward invariance of the modified obstacle-free workspace. The proposed hybrid feedback controller guarantees Zeno-free switching between the move-to-target mode and the obstacle-avoidance mode based on the proximity of the robot with respect to the modified obstacle-occupied workspace. Finally, we provide an algorithmic procedure for the sensor-based implementation of the proposed hybrid controller and validate its effectiveness via some numerical simulations.

This work focuses on the problem of visual target navigation, which is very important for autonomous robots as it is closely related to high-level tasks. To find a special object in unknown environments, classical and learning-based approaches are fundamental components of navigation that have been investigated thoroughly in the past. However, due to the difficulty in the representation of complicated scenes and the learning of the navigation policy, previous methods are still not adequate, especially for large unknown scenes. Hence, we propose a novel framework for visual target navigation using the frontier semantic policy. In this proposed framework, the semantic map and the frontier map are built from the current observation of the environment. Using the features of the maps and object category, deep reinforcement learning enables to learn a frontier semantic policy which can be used to select a frontier cell as a long-term goal to explore the environment efficiently. Experiments on Gibson and Habitat-Matterport 3D (HM3D) demonstrate that the proposed framework significantly outperforms existing map-based methods in terms of success rate and efficiency. Ablation analysis also indicates that the proposed approach learns a more efficient exploration policy based on the frontiers. A demonstration is provided to verify the applicability of applying our model to real-world transfer. The supplementary video and code can be accessed via the following link: //sites.google.com/view/fsevn.

Co-design is a prominent topic presently in computing, speaking to the mutual benefit of coordinating design choices of several layers in the technology stack. For example, this may be designing algorithms which can most efficiently take advantage of the acceleration properties of a given architecture, while simultaneously designing the hardware to support the structural needs of a class of computation. The implications of these design decisions are influential enough to be deemed a lottery, enabling an idea to win out over others irrespective of the individual merits. Coordination is a well studied topic in the mathematics of game theory, where in many cases without a coordination mechanism the outcome is sub-optimal. Here we consider what insights game theoretic analysis can offer for computer architecture co-design. In particular, we consider the interplay between algorithm and architecture advances in the field of neuromorphic computing. Analyzing developments of spiking neural network algorithms and neuromorphic hardware as a co-design game we use the Stag Hunt model to illustrate challenges for spiking algorithms or architectures to advance the field independently and advocate for a strategic pursuit to advance neuromorphic computing.

Software engineering is a domain characterized by intricate decision-making processes, often relying on nuanced intuition and consultation. Recent advancements in deep learning have started to revolutionize software engineering practices through elaborate designs implemented at various stages of software development. In this paper, we present an innovative paradigm that leverages large language models (LLMs) throughout the entire software development process, streamlining and unifying key processes through natural language communication, thereby eliminating the need for specialized models at each phase. At the core of this paradigm lies ChatDev, a virtual chat-powered software development company that mirrors the established waterfall model, meticulously dividing the development process into four distinct chronological stages: designing, coding, testing, and documenting. Each stage engages a team of agents, such as programmers, code reviewers, and test engineers, fostering collaborative dialogue and facilitating a seamless workflow. The chat chain acts as a facilitator, breaking down each stage into atomic subtasks. This enables dual roles, allowing for proposing and validating solutions through context-aware communication, leading to efficient resolution of specific subtasks. The instrumental analysis of ChatDev highlights its remarkable efficacy in software generation, enabling the completion of the entire software development process in under seven minutes at a cost of less than one dollar. It not only identifies and alleviates potential vulnerabilities but also rectifies potential hallucinations while maintaining commendable efficiency and cost-effectiveness. The potential of ChatDev unveils fresh possibilities for integrating LLMs into the realm of software development.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

Causality can be described in terms of a structural causal model (SCM) that carries information on the variables of interest and their mechanistic relations. For most processes of interest the underlying SCM will only be partially observable, thus causal inference tries to leverage any exposed information. Graph neural networks (GNN) as universal approximators on structured input pose a viable candidate for causal learning, suggesting a tighter integration with SCM. To this effect we present a theoretical analysis from first principles that establishes a novel connection between GNN and SCM while providing an extended view on general neural-causal models. We then establish a new model class for GNN-based causal inference that is necessary and sufficient for causal effect identification. Our empirical illustration on simulations and standard benchmarks validate our theoretical proofs.

Link prediction on knowledge graphs (KGs) is a key research topic. Previous work mainly focused on binary relations, paying less attention to higher-arity relations although they are ubiquitous in real-world KGs. This paper considers link prediction upon n-ary relational facts and proposes a graph-based approach to this task. The key to our approach is to represent the n-ary structure of a fact as a small heterogeneous graph, and model this graph with edge-biased fully-connected attention. The fully-connected attention captures universal inter-vertex interactions, while with edge-aware attentive biases to particularly encode the graph structure and its heterogeneity. In this fashion, our approach fully models global and local dependencies in each n-ary fact, and hence can more effectively capture associations therein. Extensive evaluation verifies the effectiveness and superiority of our approach. It performs substantially and consistently better than current state-of-the-art across a variety of n-ary relational benchmarks. Our code is publicly available.

For better user experience and business effectiveness, Click-Through Rate (CTR) prediction has been one of the most important tasks in E-commerce. Although extensive CTR prediction models have been proposed, learning good representation of items from multimodal features is still less investigated, considering an item in E-commerce usually contains multiple heterogeneous modalities. Previous works either concatenate the multiple modality features, that is equivalent to giving a fixed importance weight to each modality; or learn dynamic weights of different modalities for different items through technique like attention mechanism. However, a problem is that there usually exists common redundant information across multiple modalities. The dynamic weights of different modalities computed by using the redundant information may not correctly reflect the different importance of each modality. To address this, we explore the complementarity and redundancy of modalities by considering modality-specific and modality-invariant features differently. We propose a novel Multimodal Adversarial Representation Network (MARN) for the CTR prediction task. A multimodal attention network first calculates the weights of multiple modalities for each item according to its modality-specific features. Then a multimodal adversarial network learns modality-invariant representations where a double-discriminators strategy is introduced. Finally, we achieve the multimodal item representations by combining both modality-specific and modality-invariant representations. We conduct extensive experiments on both public and industrial datasets, and the proposed method consistently achieves remarkable improvements to the state-of-the-art methods. Moreover, the approach has been deployed in an operational E-commerce system and online A/B testing further demonstrates the effectiveness.

Deep neural network architectures have traditionally been designed and explored with human expertise in a long-lasting trial-and-error process. This process requires huge amount of time, expertise, and resources. To address this tedious problem, we propose a novel algorithm to optimally find hyperparameters of a deep network architecture automatically. We specifically focus on designing neural architectures for medical image segmentation task. Our proposed method is based on a policy gradient reinforcement learning for which the reward function is assigned a segmentation evaluation utility (i.e., dice index). We show the efficacy of the proposed method with its low computational cost in comparison with the state-of-the-art medical image segmentation networks. We also present a new architecture design, a densely connected encoder-decoder CNN, as a strong baseline architecture to apply the proposed hyperparameter search algorithm. We apply the proposed algorithm to each layer of the baseline architectures. As an application, we train the proposed system on cine cardiac MR images from Automated Cardiac Diagnosis Challenge (ACDC) MICCAI 2017. Starting from a baseline segmentation architecture, the resulting network architecture obtains the state-of-the-art results in accuracy without performing any trial-and-error based architecture design approaches or close supervision of the hyperparameters changes.