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Advanced manufacturing techniques have enabled the production of materials with state-of-the-art properties. In many cases however, the development of physics-based models of these techniques lags behind their use in the lab. This means that designing and running experiments proceeds largely via trial and error. This is sub-optimal since experiments are cost-, time-, and labor-intensive. In this work we propose a machine learning framework, differential property classification (DPC), which enables an experimenter to leverage machine learning's unparalleled pattern matching capability to pursue data-driven experimental design. DPC takes two possible experiment parameter sets and outputs a prediction of which will produce a material with a more desirable property specified by the operator. We demonstrate the success of DPC on AA7075 tube manufacturing process and mechanical property data using shear assisted processing and extrusion (ShAPE), a solid phase processing technology. We show that by focusing on the experimenter's need to choose between multiple candidate experimental parameters, we can reframe the challenging regression task of predicting material properties from processing parameters, into a classification task on which machine learning models can achieve good performance.

The remarkable practical success of deep learning has revealed some major surprises from a theoretical perspective. In particular, simple gradient methods easily find near-optimal solutions to non-convex optimization problems, and despite giving a near-perfect fit to training data without any explicit effort to control model complexity, these methods exhibit excellent predictive accuracy. We conjecture that specific principles underlie these phenomena: that overparametrization allows gradient methods to find interpolating solutions, that these methods implicitly impose regularization, and that overparametrization leads to benign overfitting. We survey recent theoretical progress that provides examples illustrating these principles in simpler settings. We first review classical uniform convergence results and why they fall short of explaining aspects of the behavior of deep learning methods. We give examples of implicit regularization in simple settings, where gradient methods lead to minimal norm functions that perfectly fit the training data. Then we review prediction methods that exhibit benign overfitting, focusing on regression problems with quadratic loss. For these methods, we can decompose the prediction rule into a simple component that is useful for prediction and a spiky component that is useful for overfitting but, in a favorable setting, does not harm prediction accuracy. We focus specifically on the linear regime for neural networks, where the network can be approximated by a linear model. In this regime, we demonstrate the success of gradient flow, and we consider benign overfitting with two-layer networks, giving an exact asymptotic analysis that precisely demonstrates the impact of overparametrization. We conclude by highlighting the key challenges that arise in extending these insights to realistic deep learning settings.

Machine learning plays a role in many deployed decision systems, often in ways that are difficult or impossible to understand by human stakeholders. Explaining, in a human-understandable way, the relationship between the input and output of machine learning models is essential to the development of trustworthy machine-learning-based systems. A burgeoning body of research seeks to define the goals and methods of explainability in machine learning. In this paper, we seek to review and categorize research on counterfactual explanations, a specific class of explanation that provides a link between what could have happened had input to a model been changed in a particular way. Modern approaches to counterfactual explainability in machine learning draw connections to the established legal doctrine in many countries, making them appealing to fielded systems in high-impact areas such as finance and healthcare. Thus, we design a rubric with desirable properties of counterfactual explanation algorithms and comprehensively evaluate all currently-proposed algorithms against that rubric. Our rubric provides easy comparison and comprehension of the advantages and disadvantages of different approaches and serves as an introduction to major research themes in this field. We also identify gaps and discuss promising research directions in the space of counterfactual explainability.

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.

We present a continuous formulation of machine learning, as a problem in the calculus of variations and differential-integral equations, very much in the spirit of classical numerical analysis and statistical physics. We demonstrate that conventional machine learning models and algorithms, such as the random feature model, the shallow neural network model and the residual neural network model, can all be recovered as particular discretizations of different continuous formulations. We also present examples of new models, such as the flow-based random feature model, and new algorithms, such as the smoothed particle method and spectral method, that arise naturally from this continuous formulation. We discuss how the issues of generalization error and implicit regularization can be studied under this framework.

This paper presents a novel approach for synthesizing automatically age-progressed facial images in video sequences using Deep Reinforcement Learning. The proposed method models facial structures and the longitudinal face-aging process of given subjects coherently across video frames. The approach is optimized using a long-term reward, Reinforcement Learning function with deep feature extraction from Deep Convolutional Neural Network. Unlike previous age-progression methods that are only able to synthesize an aged likeness of a face from a single input image, the proposed approach is capable of age-progressing facial likenesses in videos with consistently synthesized facial features across frames. In addition, the deep reinforcement learning method guarantees preservation of the visual identity of input faces after age-progression. Results on videos of our new collected aging face AGFW-v2 database demonstrate the advantages of the proposed solution in terms of both quality of age-progressed faces, temporal smoothness, and cross-age face verification.

This paper addresses the problem of formally verifying desirable properties of neural networks, i.e., obtaining provable guarantees that neural networks satisfy specifications relating their inputs and outputs (robustness to bounded norm adversarial perturbations, for example). Most previous work on this topic was limited in its applicability by the size of the network, network architecture and the complexity of properties to be verified. In contrast, our framework applies to a general class of activation functions and specifications on neural network inputs and outputs. We formulate verification as an optimization problem (seeking to find the largest violation of the specification) and solve a Lagrangian relaxation of the optimization problem to obtain an upper bound on the worst case violation of the specification being verified. Our approach is anytime i.e. it can be stopped at any time and a valid bound on the maximum violation can be obtained. We develop specialized verification algorithms with provable tightness guarantees under special assumptions and demonstrate the practical significance of our general verification approach on a variety of verification tasks.

Developing classification algorithms that are fair with respect to sensitive attributes of the data has become an important problem due to the growing deployment of classification algorithms in various social contexts. Several recent works have focused on fairness with respect to a specific metric, modeled the corresponding fair classification problem as a constrained optimization problem, and developed tailored algorithms to solve them. Despite this, there still remain important metrics for which we do not have fair classifiers and many of the aforementioned algorithms do not come with theoretical guarantees; perhaps because the resulting optimization problem is non-convex. The main contribution of this paper is a new meta-algorithm for classification that takes as input a large class of fairness constraints, with respect to multiple non-disjoint sensitive attributes, and which comes with provable guarantees. This is achieved by first developing a meta-algorithm for a large family of classification problems with convex constraints, and then showing that classification problems with general types of fairness constraints can be reduced to those in this family. We present empirical results that show that our algorithm can achieve near-perfect fairness with respect to various fairness metrics, and that the loss in accuracy due to the imposed fairness constraints is often small. Overall, this work unifies several prior works on fair classification, presents a practical algorithm with theoretical guarantees, and can handle fairness metrics that were previously not possible.

Applying image processing algorithms independently to each frame of a video often leads to undesired inconsistent results over time. Developing temporally consistent video-based extensions, however, requires domain knowledge for individual tasks and is unable to generalize to other applications. In this paper, we present an efficient end-to-end approach based on deep recurrent network for enforcing temporal consistency in a video. Our method takes the original unprocessed and per-frame processed videos as inputs to produce a temporally consistent video. Consequently, our approach is agnostic to specific image processing algorithms applied on the original video. We train the proposed network by minimizing both short-term and long-term temporal losses as well as the perceptual loss to strike a balance between temporal stability and perceptual similarity with the processed frames. At test time, our model does not require computing optical flow and thus achieves real-time speed even for high-resolution videos. We show that our single model can handle multiple and unseen tasks, including but not limited to artistic style transfer, enhancement, colorization, image-to-image translation and intrinsic image decomposition. Extensive objective evaluation and subject study demonstrate that the proposed approach performs favorably against the state-of-the-art methods on various types of videos.

This paper describes a suite of algorithms for constructing low-rank approximations of an input matrix from a random linear image of the matrix, called a sketch. These methods can preserve structural properties of the input matrix, such as positive-semidefiniteness, and they can produce approximations with a user-specified rank. The algorithms are simple, accurate, numerically stable, and provably correct. Moreover, each method is accompanied by an informative error bound that allows users to select parameters a priori to achieve a given approximation quality. These claims are supported by numerical experiments with real and synthetic data.