ConCerNet: A Contrastive Learning Based Framework for Automated Conservation Law Discovery and Trustworthy Dynamical System Prediction

Deep neural networks (DNN) have shown great capacity of modeling a dynamical system; nevertheless, they usually do not obey physics constraints such as conservation laws. This paper proposes a new learning framework named ConCerNet to improve the trustworthiness of the DNN based dynamics modeling to endow the invariant properties. ConCerNet consists of two steps: (i) a contrastive learning method to automatically capture the system invariants (i.e. conservation properties) along the trajectory observations; (ii) a neural projection layer to guarantee that the learned dynamics models preserve the learned invariants. We theoretically prove the functional relationship between the learned latent representation and the unknown system invariant function. Experiments show that our method consistently outperforms the baseline neural networks in both coordinate error and conservation metrics by a large margin. With neural network based parameterization and no dependence on prior knowledge, our method can be extended to complex and large-scale dynamics by leveraging an autoencoder.

Generalizing DP-SGD with Shuffling and Batching Clipping

Classical differential private DP-SGD implements individual clipping with random subsampling, which forces a mini-batch SGD approach. We provide a general differential private algorithmic framework that goes beyond DP-SGD and allows any possible first order optimizers (e.g., classical SGD and momentum based SGD approaches) in combination with batch clipping, which clips an aggregate of computed gradients rather than summing clipped gradients (as is done in individual clipping). The framework also admits sampling techniques beyond random subsampling such as shuffling. Our DP analysis follows the $f$-DP approach and introduces a new proof technique which allows us to also analyse group privacy. In particular, for $E$ epochs work and groups of size $g$, we show a $\sqrt{g E}$ DP dependency for batch clipping with shuffling. This is much better than the previously anticipated linear dependency in $g$ and is much better than the previously expected square root dependency on the total number of rounds within $E$ epochs which is generally much more than $\sqrt{E}$.

Finding Optimal Policy for Queueing Models: New Parameterization

Queueing systems appear in many important real-life applications including communication networks, transportation and manufacturing systems. Reinforcement learning (RL) framework is a suitable model for the queueing control problem where the underlying dynamics are usually unknown and the agent receives little information from the environment to navigate. In this work, we investigate the optimization aspects of the queueing model as a RL environment and provide insight to learn the optimal policy efficiently. We propose a new parameterization of the policy by using the intrinsic properties of queueing network systems. Experiments show good performance of our methods with various load conditions from light to heavy traffic.

On the Convergence to a Global Solution of Shuffling-Type Gradient Algorithms

Stochastic gradient descent (SGD) algorithm is the method of choice in many machine learning tasks thanks to its scalability and efficiency in dealing with large-scale problems. In this paper, we focus on the shuffling version of SGD which matches the mainstream practical heuristics. We show the convergence to a global solution of shuffling SGD for a class of non-convex functions under over-parameterized settings. Our analysis employs more relaxed non-convex assumptions than previous literature. Nevertheless, we maintain the desired computational complexity as shuffling SGD has achieved in the general convex setting.

On the Convergence of Gradient Extrapolation Methods for Unbalanced Optimal Transport

We study the Unbalanced Optimal Transport (UOT) between two measures of possibly different masses with at most $n$ components, where marginal constraints of the standard Optimal Transport (OT) are relaxed via Kullback-Leibler divergence with regularization factor $\tau$. We propose a novel algorithm based on Gradient Extrapolation Method (GEM-UOT) to find an $\varepsilon$-approximate solution to the UOT problem in $O\big( \kappa n^2 \log\big(\frac{\tau n}{\varepsilon}\big) \big)$, where $\kappa$ is the condition number depending on only the two input measures. Compared to the only known complexity ${O}\big(\tfrac{\tau n^2 \log(n)}{\varepsilon} \log\big(\tfrac{\log(n)}{{\varepsilon}}\big)\big)$ for solving the UOT problem via the Sinkhorn algorithm, ours is better in $\varepsilon$ and lifts Sinkhorn's linear dependence on $\tau$, which hindered its practicality to approximate the standard OT via UOT. Our proof technique is based on a novel dual formulation of the squared $\ell_2$-norm regularized UOT objective, which is of independent interest and also leads to a new characterization of approximation error between UOT and OT in terms of both the transportation plan and transport distance. To this end, we further present an algorithm, based on GEM-UOT with fine tuned $\tau$ and a post-process projection step, to find an $\varepsilon$-approximate solution to the standard OT problem in $O\big( \kappa n^2 \log\big(\frac{ n}{\varepsilon}\big) \big)$, which is a new complexity in the literature of OT. Extensive experiments on synthetic and real datasets validate our theories and demonstrate the favorable performance of our methods in practice.

Evaluating Robustness of Cooperative MARL: A Model-based Approach

In recent years, a proliferation of methods were developed for cooperative multi-agent reinforcement learning (c-MARL). However, the robustness of c-MARL agents against adversarial attacks has been rarely explored. In this paper, we propose to evaluate the robustness of c-MARL agents via a model-based approach. Our proposed formulation can craft stronger adversarial state perturbations of c-MARL agents(s) to lower total team rewards more than existing model-free approaches. In addition, we propose the first victim-agent selection strategy which allows us to develop even stronger adversarial attack. Numerical experiments on multi-agent MuJoCo benchmarks illustrate the advantage of our approach over other baselines. The proposed model-based attack consistently outperforms other baselines in all tested environments.

Nesterov Accelerated Shuffling Gradient Method for Convex Optimization

In this paper, we propose Nesterov Accelerated Shuffling Gradient (NASG), a new algorithm for the convex finite-sum minimization problems. Our method integrates the traditional Nesterov's acceleration momentum with different shuffling sampling schemes. We show that our algorithm has an improved rate of $\mathcal{O}(1/T)$ using unified shuffling schemes, where $T$ is the number of epochs. This rate is better than that of any other shuffling gradient methods in convex regime. Our convergence analysis does not require an assumption on bounded domain or a bounded gradient condition. For randomized shuffling schemes, we improve the convergence bound further. When employing some initial condition, we show that our method converges faster near the small neighborhood of the solution. Numerical simulations demonstrate the efficiency of our algorithm.

Finite-Sum Optimization: A New Perspective for Convergence to a Global Solution

Deep neural networks (DNNs) have shown great success in many machine learning tasks. Their training is challenging since the loss surface of the network architecture is generally non-convex, or even non-smooth. How and under what assumptions is guaranteed convergence to a \textit{global} minimum possible? We propose a reformulation of the minimization problem allowing for a new recursive algorithmic framework. By using bounded style assumptions, we prove convergence to an $\varepsilon$-(global) minimum using $\mathcal{\tilde{O}}(1/\varepsilon^3)$ gradient computations. Our theoretical foundation motivates further study, implementation, and optimization of the new algorithmic framework and further investigation of its non-standard bounded style assumptions. This new direction broadens our understanding of why and under what circumstances training of a DNN converges to a global minimum.

Interpretable Clustering via Multi-Polytope Machines

Clustering is a popular unsupervised learning tool often used to discover groups within a larger population such as customer segments, or patient subtypes. However, despite its use as a tool for subgroup discovery and description - few state-of-the-art algorithms provide any rationale or description behind the clusters found. We propose a novel approach for interpretable clustering that both clusters data points and constructs polytopes around the discovered clusters to explain them. Our framework allows for additional constraints on the polytopes - including ensuring that the hyperplanes constructing the polytope are axis-parallel or sparse with integer coefficients. We formulate the problem of constructing clusters via polytopes as a Mixed-Integer Non-Linear Program (MINLP). To solve our formulation we propose a two phase approach where we first initialize clusters and polytopes using alternating minimization, and then use coordinate descent to boost clustering performance. We benchmark our approach on a suite of synthetic and real world clustering problems, where our algorithm outperforms state of the art interpretable and non-interpretable clustering algorithms.

On the Equivalence between Neural Network and Support Vector Machine

Recent research shows that the dynamics of an infinitely wide neural network (NN) trained by gradient descent can be characterized by Neural Tangent Kernel (NTK) \citep{jacot2018neural}. Under the squared loss, the infinite-width NN trained by gradient descent with an infinitely small learning rate is equivalent to kernel regression with NTK \citep{arora2019exact}. However, the equivalence is only known for ridge regression currently \citep{arora2019harnessing}, while the equivalence between NN and other kernel machines (KMs), e.g. support vector machine (SVM), remains unknown. Therefore, in this work, we propose to establish the equivalence between NN and SVM, and specifically, the infinitely wide NN trained by soft margin loss and the standard soft margin SVM with NTK trained by subgradient descent. Our main theoretical results include establishing the equivalence between NN and a broad family of $\ell_2$ regularized KMs with finite-width bounds, which cannot be handled by prior work, and showing that every finite-width NN trained by such regularized loss functions is approximately a KM. Furthermore, we demonstrate our theory can enable three practical applications, including (i) \textit{non-vacuous} generalization bound of NN via the corresponding KM; (ii) \textit{non-trivial} robustness certificate for the infinite-width NN (while existing robustness verification methods would provide vacuous bounds); (iii) intrinsically more robust infinite-width NNs than those from previous kernel regression. Our code for the experiments are available at \url{https://github.com/leslie-CH/equiv-nn-svm}.