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In this paper, we develop an alternating direction method of multipliers (ADMM) for deep neural networks training with sigmoid-type activation functions (called sigmoid-ADMM pair ), mainly motivated by the gradient-free nature of ADMM in avoiding the saturation of sigmoid-type activations and the advantages of deep neural networks with sigmoid-type activations (called deep sigmoid nets) over their rectified linear unit (ReLU) counterparts (called deep ReLU nets) in terms of approximation. In particular, we prove that the approximation capability of deep sigmoid nets is not worse than that of deep ReLU nets by showing that ReLU activation function can be well approximated by deep sigmoid nets with two hidden layers and finitely many free parameters but not vice-verse. We also establish the global convergence of the proposed ADMM for the nonlinearly constrained formulation of the deep sigmoid nets training from arbitrary initial points to a Karush-Kuhn-Tucker (KKT) point at a rate of order O(1/k). Besides sigmoid activation, such a convergence theorem holds for a general class of smooth activations. Compared with the widely used stochastic gradient descent (SGD) algorithm for the deep ReLU nets training (called ReLU-SGD pair), the proposed sigmoid-ADMM pair is practically stable with respect to the algorithmic hyperparameters including the learning rate, initial schemes and the pro-processing of the input data. Moreover, we find that to approximate and learn simple but important functions the proposed sigmoid-ADMM pair numerically outperforms the ReLU-SGD pair.

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We investigate the use of artificial neural networks (NNs) as an alternative tool to current analytical methods for recognizing knots in a given polymer conformation. The motivation is twofold. First, it is of interest to examine whether NNs are effective at learning the global and sequential properties that uniquely define a knot. Second, knot classification is an important and unsolved problem in mathematical and physical sciences, and NNs may provide insights into this problem. Motivated by these points, we generate millions of polymer conformations for five knot types: 0, 3_1, 4_1, 5_1, and 5_2, and we design various NN models for classification. Our best model achieves a five-class classification accuracy of above 99% on a polymer of 100 monomers. We find that the sequential modeling ability of recurrent NNs is crucial for this result, as it outperforms feed-forward NNs and successfully generalizes to differently sized conformations as well. We present our methods and suggest that deep learning may be used in specific applications of knot detection where some error is permissible. Hopefully, with further development, NNs can offer an alternative computational method for knot identification and facilitate knot research in mathematical and physical sciences.

A major challenge for ridesharing platforms is to guarantee profit and fairness simultaneously, especially in the presence of misaligned incentives of drivers and riders. We focus on the dispatchingpricing problem to maximize the total revenue while keeping both drivers and riders satisfied. We study the computational complexity of the problem, provide a novel two-phased pricing solution with revenue and fairness guarantees, extend it to stochastic settings and develop a dynamic (a.k.a., learning-while-doing) algorithm that actively collects data to learn the demand distribution during the scheduling process. We also conduct extensive experiments to demonstrate the effectiveness of our algorithms.