Machine learning (ML) has been increasingly used to aid aerodynamic shape optimization (ASO), thanks to the availability of aerodynamic data and continued developments in deep learning. We review the applications of ML in ASO to date and provide a perspective on the state-of-the-art and future directions. We first introduce conventional ASO and current challenges. Next, we introduce ML fundamentals and detail ML algorithms that have been successful in ASO. Then, we review ML applications to ASO addressing three aspects: compact geometric design space, fast aerodynamic analysis, and efficient optimization architecture. In addition to providing a comprehensive summary of the research, we comment on the practicality and effectiveness of the developed methods. We show how cutting-edge ML approaches can benefit ASO and address challenging demands, such as interactive design optimization. Practical large-scale design optimizations remain a challenge because of the high cost of ML training. Further research on coupling ML model construction with prior experience and knowledge, such as physics-informed ML, is recommended to solve large-scale ASO problems.

Kernel matrices, as well as weighted graphs represented by them, are ubiquitous objects in machine learning, statistics and other related fields. The main drawback of using kernel methods (learning and inference using kernel matrices) is efficiency -- given $n$ input points, most kernel-based algorithms need to materialize the full $n \times n$ kernel matrix before performing any subsequent computation, thus incurring $\Omega(n^2)$ runtime. Breaking this quadratic barrier for various problems has therefore, been a subject of extensive research efforts. We break the quadratic barrier and obtain $\textit{subquadratic}$ time algorithms for several fundamental linear-algebraic and graph processing primitives, including approximating the top eigenvalue and eigenvector, spectral sparsification, solving linear systems, local clustering, low-rank approximation, arboricity estimation and counting weighted triangles. We build on the recent Kernel Density Estimation framework, which (after preprocessing in time subquadratic in $n$) can return estimates of row/column sums of the kernel matrix. In particular, we develop efficient reductions from $\textit{weighted vertex}$ and $\textit{weighted edge sampling}$ on kernel graphs, $\textit{simulating random walks}$ on kernel graphs, and $\textit{importance sampling}$ on matrices to Kernel Density Estimation and show that we can generate samples from these distributions in $\textit{sublinear}$ (in the support of the distribution) time. Our reductions are the central ingredient in each of our applications and we believe they may be of independent interest. We empirically demonstrate the efficacy of our algorithms on low-rank approximation (LRA) and spectral sparsification, where we observe a $\textbf{9x}$ decrease in the number of kernel evaluations over baselines for LRA and a $\textbf{41x}$ reduction in the graph size for spectral sparsification.

We propose AstroSLAM, a standalone vision-based solution for autonomous online navigation around an unknown target small celestial body. AstroSLAM is predicated on the formulation of the SLAM problem as an incrementally growing factor graph, facilitated by the use of the GTSAM library and the iSAM2 engine. By combining sensor fusion with orbital motion priors, we achieve improved performance over a baseline SLAM solution. We incorporate orbital motion constraints into the factor graph by devising a novel relative dynamics factor, which links the relative pose of the spacecraft to the problem of predicting trajectories stemming from the motion of the spacecraft in the vicinity of the small body. We demonstrate the excellent performance of AstroSLAM using both real legacy mission imagery and trajectory data courtesy of NASA's Planetary Data System, as well as real in-lab imagery data generated on a 3 degree-of-freedom spacecraft simulator test-bed.

Temporal Graph Neural Network (TGNN) has been receiving a lot of attention recently due to its capability in modeling time-evolving graph-related tasks. Similar to Graph Neural Networks, it is also non-trivial to interpret predictions made by a TGNN due to its black-box nature. A major approach tackling this problems in GNNs is by analyzing the model' responses on some perturbations of the model's inputs, called perturbation-based explanation methods. While these methods are convenient and flexible since they do not need internal access to the model, does this lack of internal access prevent them from revealing some important information of the predictions? Motivated by that question, this work studies the limit of some classes of perturbation-based explanation methods. Particularly, by constructing some specific instances of TGNNs, we show (i) node-perturbation cannot reliably identify the paths carrying out the prediction, (ii) edge-perturbation is not reliable in determining all nodes contributing to the prediction and (iii) perturbing both nodes and edges does not reliably help us identify the graph's components carrying out the temporal aggregation in TGNNs.

We leverage probabilistic models of neural representations to investigate how residual networks fit classes. To this end, we estimate class-conditional density models for representations learned by deep ResNets. We then use these models to characterize distributions of representations across learned classes. Surprisingly, we find that classes in the investigated models are not fitted in an uniform way. On the contrary: we uncover two groups of classes that are fitted with markedly different distributions of representations. These distinct modes of class-fitting are evident only in the deeper layers of the investigated models, indicating that they are not related to low-level image features. We show that the uncovered structure in neural representations correlate with memorization of training examples and adversarial robustness. Finally, we compare class-conditional distributions of neural representations between memorized and typical examples. This allows us to uncover where in the network structure class labels arise for memorized and standard inputs.

Recent semi-supervised and self-supervised methods have shown great success in the image and text domain by utilizing augmentation techniques. Despite such success, it is not easy to transfer this success to tabular domains. It is not easy to adapt domain-specific transformations from image and language to tabular data due to mixing of different data types (continuous data and categorical data) in the tabular domain. There are a few semi-supervised works on the tabular domain that have focused on proposing new augmentation techniques for tabular data. These approaches may have shown some improvement on datasets with low-cardinality in categorical data. However, the fundamental challenges have not been tackled. The proposed methods either do not apply to datasets with high-cardinality or do not use an efficient encoding of categorical data. We propose using conditional probability representation and an efficient progressively feature upgrading framework to effectively learn representations for tabular data in semi-supervised applications. The extensive experiments show superior performance of the proposed framework and the potential application in semi-supervised settings.

The Shapley value (SV) is adopted in various scenarios in machine learning (ML), including data valuation, agent valuation, and feature attribution, as it satisfies their fairness requirements. However, as exact SVs are infeasible to compute in practice, SV estimates are approximated instead. This approximation step raises an important question: do the SV estimates preserve the fairness guarantees of exact SVs? We observe that the fairness guarantees of exact SVs are too restrictive for SV estimates. Thus, we generalise Shapley fairness to probably approximate Shapley fairness and propose fidelity score, a metric to measure the variation of SV estimates, that determines how probable the fairness guarantees hold. Our last theoretical contribution is a novel greedy active estimation (GAE) algorithm that will maximise the lowest fidelity score and achieve a better fairness guarantee than the de facto Monte-Carlo estimation. We empirically verify GAE outperforms several existing methods in guaranteeing fairness while remaining competitive in estimation accuracy in various ML scenarios using real-world datasets.

Neural-symbolic computing aims at integrating robust neural learning and sound symbolic reasoning into a single framework, so as to leverage the complementary strengths of both of these, seemingly unrelated (maybe even contradictory) AI paradigms. The central challenge in neural-symbolic computing is to unify the formulation of neural learning and symbolic reasoning into a single framework with common semantics, that is, to seek a joint representation between a neural model and a logical theory that can support the basic grounding learned by the neural model and also stick to the semantics of the logical theory. In this paper, we propose differentiable fuzzy $\mathcal{ALC}$ (DF-$\mathcal{ALC}$) for this role, as a neural-symbolic representation language with the desired semantics. DF-$\mathcal{ALC}$ unifies the description logic $\mathcal{ALC}$ and neural models for symbol grounding; in particular, it infuses an $\mathcal{ALC}$ knowledge base into neural models through differentiable concept and role embeddings. We define a hierarchical loss to the constraint that the grounding learned by neural models must be semantically consistent with $\mathcal{ALC}$ knowledge bases. And we find that capturing the semantics in grounding solely by maximizing satisfiability cannot revise grounding rationally. We further define a rule-based loss for DF adapting to symbol grounding problems. The experiment results show that DF-$\mathcal{ALC}$ with rule-based loss can improve the performance of image object detectors in an unsupervised learning way, even in low-resource situations.

Optimization equips engineers and scientists in a variety of fields with the ability to transcribe their problems into a generic formulation and receive optimal solutions with relative ease. Industries ranging from aerospace to robotics continue to benefit from advancements in optimization theory and the associated algorithmic developments. Nowadays, optimization is used in real time on autonomous systems acting in safety critical situations, such as self-driving vehicles. It has become increasingly more important to produce robust solutions by incorporating uncertainty into optimization programs. This paper provides a short survey about the state of the art in optimization under uncertainty. The paper begins with a brief overview of the main classes of optimization without uncertainty. The rest of the paper focuses on the different methods for handling both aleatoric and epistemic uncertainty. Many of the applications discussed in this paper are within the domain of control. The goal of this survey paper is to briefly touch upon the state of the art in a variety of different methods and refer the reader to other literature for more in-depth treatments of the topics discussed here.

We propose the tensorizing flow method for estimating high-dimensional probability density functions from the observed data. The method is based on both tensor-train and flow-based generative modeling. Our method first efficiently constructs an approximate density in the tensor-train form via solving the tensor cores from a linear system based on the kernel density estimators of low-dimensional marginals. We then train a continuous-time flow model from this tensor-train density to the observed empirical distribution by performing a maximum likelihood estimation. The proposed method combines the optimization-less feature of the tensor-train with the flexibility of the flow-based generative models. Numerical results are included to demonstrate the performance of the proposed method.