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Reinforcement learning (RL) and trajectory optimization (TO) present strong complementary advantages. On one hand, RL approaches are able to learn global control policies directly from data, but generally require large sample sizes to properly converge towards feasible policies. On the other hand, TO methods are able to exploit gradient-based information extracted from simulators to quickly converge towards a locally optimal control trajectory which is only valid within the vicinity of the solution. Over the past decade, several approaches have aimed to adequately combine the two classes of methods in order to obtain the best of both worlds. Following on from this line of research, we propose several improvements on top of these approaches to learn global control policies quicker, notably by leveraging sensitivity information stemming from TO methods via Sobolev learning, and augmented Lagrangian techniques to enforce the consensus between TO and policy learning. We evaluate the benefits of these improvements on various classical tasks in robotics through comparison with existing approaches in the literature.

The brain age has been proven to be a phenotype of relevance to cognitive performance and brain disease. Achieving accurate brain age prediction is an essential prerequisite for optimizing the predicted brain-age difference as a biomarker. As a comprehensive biological characteristic, the brain age is hard to be exploited accurately with models using feature engineering and local processing such as local convolution and recurrent operations that process one local neighborhood at a time. Instead, Vision Transformers learn global attentive interaction of patch tokens, introducing less inductive bias and modeling long-range dependencies. In terms of this, we proposed a novel network for learning brain age interpreting with global and local dependencies, where the corresponding representations are captured by Successive Permuted Transformer (SPT) and convolution blocks. The SPT brings computation efficiency and locates the 3D spatial information indirectly via continuously encoding 2D slices from different views. Finally, we collect a large cohort of 22645 subjects with ages ranging from 14 to 97 and our network performed the best among a series of deep learning methods, yielding a mean absolute error (MAE) of 2.855 in validation set, and 2.911 in an independent test set.

Quickly and reliably finding accurate inverse kinematics (IK) solutions remains a challenging problem for robotic manipulation. Existing numerical solvers are broadly applicable, but rely on local search techniques to manage highly nonconvex objective functions. Recently, learning-based approaches have shown promise as a means to generate fast and accurate IK results; learned solvers can easily be integrated with other learning algorithms in end-to-end systems. However, learning-based methods have an Achilles' heel: each robot of interest requires a specialized model which must be trained from scratch. To address this key shortcoming, we investigate a novel distance-geometric robot representation coupled with a graph structure that allows us to leverage the flexibility of graph neural networks (GNNs). We use this approach to train the first learned generative graphical inverse kinematics (GGIK) solver that is, crucially, "robot-agnostic"-a single model is able to provide IK solutions for a variety of different robots. Additionally, the generative nature of GGIK allows the solver to produce a large number of diverse solutions in parallel with minimal additional computation time, making it appropriate for applications such as sampling-based motion planning. Finally, GGIK can complement local IK solvers by providing reliable initializations. These advantages, as well as the ability to use task-relevant priors and to continuously improve with new data, suggest that GGIK has the potential to be a key component of flexible, learning-based robotic manipulation systems.

Binary stars undergo a variety of interactions and evolutionary phases, critical for predicting and explaining observed properties. Binary population synthesis with full stellar-structure and evolution simulations are computationally expensive requiring a large number of mass-transfer sequences. The recently developed binary population synthesis code POSYDON incorporates grids of MESA binary star simulations which are then interpolated to model large-scale populations of massive binaries. The traditional method of computing a high-density rectilinear grid of simulations is not scalable for higher-dimension grids, accounting for a range of metallicities, rotation, and eccentricity. We present a new active learning algorithm, psy-cris, which uses machine learning in the data-gathering process to adaptively and iteratively select targeted simulations to run, resulting in a custom, high-performance training set. We test psy-cris on a toy problem and find the resulting training sets require fewer simulations for accurate classification and regression than either regular or randomly sampled grids. We further apply psy-cris to the target problem of building a dynamic grid of MESA simulations, and we demonstrate that, even without fine tuning, a simulation set of only $\sim 1/4$ the size of a rectilinear grid is sufficient to achieve the same classification accuracy. We anticipate further gains when algorithmic parameters are optimized for the targeted application. We find that optimizing for classification only may lead to performance losses in regression, and vice versa. Lowering the computational cost of producing grids will enable future versions of POSYDON to cover more input parameters while preserving interpolation accuracies.

Representation learning, i.e. the generation of representations useful for downstream applications, is a task of fundamental importance that underlies much of the success of deep neural networks (DNNs). Recently, robustness to adversarial examples has emerged as a desirable property for DNNs, spurring the development of robust training methods that account for adversarial examples. In this paper, we aim to understand how the properties of representations learned by robust training differ from those obtained from standard, non-robust training. This is critical to diagnosing numerous salient pitfalls in robust networks, such as, degradation of performance on benign inputs, poor generalization of robustness, and increase in over-fitting. We utilize a powerful set of tools known as representation similarity metrics, across three vision datasets, to obtain layer-wise comparisons between robust and non-robust DNNs with different training procedures, architectural parameters and adversarial constraints. Our experiments highlight hitherto unseen properties of robust representations that we posit underlie the behavioral differences of robust networks. We discover a lack of specialization in robust networks' representations along with a disappearance of `block structure'. We also find overfitting during robust training largely impacts deeper layers. These, along with other findings, suggest ways forward for the design and training of better robust networks.

Stochastic kriging has been widely employed for simulation metamodeling to predict the response surface of complex simulation models. However, its use is limited to cases where the design space is low-dimensional because, in general, the sample complexity (i.e., the number of design points required for stochastic kriging to produce an accurate prediction) grows exponentially in the dimensionality of the design space. The large sample size results in both a prohibitive sample cost for running the simulation model and a severe computational challenge due to the need to invert large covariance matrices. Based on tensor Markov kernels and sparse grid experimental designs, we develop a novel methodology that dramatically alleviates the curse of dimensionality. We show that the sample complexity of the proposed methodology grows only slightly in the dimensionality, even under model misspecification. We also develop fast algorithms that compute stochastic kriging in its exact form without any approximation schemes. We demonstrate via extensive numerical experiments that our methodology can handle problems with a design space of more than 10,000 dimensions, improving both prediction accuracy and computational efficiency by orders of magnitude relative to typical alternative methods in practice.

Policy Decomposition (PoDec) is a framework that lessens the curse of dimensionality when deriving policies to optimal control problems. For a given system representation, i.e. the state variables and control inputs describing a system, PoDec generates strategies to decompose the joint optimization of policies for all control inputs. Thereby, policies for different inputs are derived in a decoupled or cascaded fashion and as functions of some subsets of the state variables, leading to reduction in computation. However, the choice of system representation is crucial as it dictates the suboptimality of the resulting policies. We present a heuristic method to find a representation more amenable to decomposition. Our approach is based on the observation that every decomposition enforces a sparsity pattern in the resulting policies at the cost of optimality and a representation that already leads to a sparse optimal policy is likely to produce decompositions with lower suboptimalities. As the optimal policy is not known we construct a system representation that sparsifies its LQR approximation. For a simplified biped, a 4 degree-of-freedom manipulator, and a quadcopter, we discover decompositions that offer 10% reduction in trajectory costs over those identified by vanilla PoDec. Moreover, the decomposition policies produce trajectories with substantially lower costs compared to policies obtained from state-of-the-art reinforcement learning algorithms.

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.

Sampling methods (e.g., node-wise, layer-wise, or subgraph) has become an indispensable strategy to speed up training large-scale Graph Neural Networks (GNNs). However, existing sampling methods are mostly based on the graph structural information and ignore the dynamicity of optimization, which leads to high variance in estimating the stochastic gradients. The high variance issue can be very pronounced in extremely large graphs, where it results in slow convergence and poor generalization. In this paper, we theoretically analyze the variance of sampling methods and show that, due to the composite structure of empirical risk, the variance of any sampling method can be decomposed into \textit{embedding approximation variance} in the forward stage and \textit{stochastic gradient variance} in the backward stage that necessities mitigating both types of variance to obtain faster convergence rate. We propose a decoupled variance reduction strategy that employs (approximate) gradient information to adaptively sample nodes with minimal variance, and explicitly reduces the variance introduced by embedding approximation. We show theoretically and empirically that the proposed method, even with smaller mini-batch sizes, enjoys a faster convergence rate and entails a better generalization compared to the existing methods.

A key requirement for the success of supervised deep learning is a large labeled dataset - a condition that is difficult to meet in medical image analysis. Self-supervised learning (SSL) can help in this regard by providing a strategy to pre-train a neural network with unlabeled data, followed by fine-tuning for a downstream task with limited annotations. Contrastive learning, a particular variant of SSL, is a powerful technique for learning image-level representations. In this work, we propose strategies for extending the contrastive learning framework for segmentation of volumetric medical images in the semi-supervised setting with limited annotations, by leveraging domain-specific and problem-specific cues. Specifically, we propose (1) novel contrasting strategies that leverage structural similarity across volumetric medical images (domain-specific cue) and (2) a local version of the contrastive loss to learn distinctive representations of local regions that are useful for per-pixel segmentation (problem-specific cue). We carry out an extensive evaluation on three Magnetic Resonance Imaging (MRI) datasets. In the limited annotation setting, the proposed method yields substantial improvements compared to other self-supervision and semi-supervised learning techniques. When combined with a simple data augmentation technique, the proposed method reaches within 8% of benchmark performance using only two labeled MRI volumes for training, corresponding to only 4% (for ACDC) of the training data used to train the benchmark.