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Agent-based simulators provide granular representations of complex intelligent systems by directly modelling the interactions of the system's constituent agents. Their high-fidelity nature enables hyper-local policy evaluation and testing of what-if scenarios, but is associated with large computational costs that inhibits their widespread use. Surrogate models can address these computational limitations, but they must behave consistently with the agent-based model under policy interventions of interest. In this paper, we capitalise on recent developments on causal abstractions to develop a framework for learning interventionally consistent surrogate models for agent-based simulators. Our proposed approach facilitates rapid experimentation with policy interventions in complex systems, while inducing surrogates to behave consistently with high probability with respect to the agent-based simulator across interventions of interest. We demonstrate with empirical studies that observationally trained surrogates can misjudge the effect of interventions and misguide policymakers towards suboptimal policies, while surrogates trained for interventional consistency with our proposed method closely mimic the behaviour of an agent-based model under interventions of interest.

This work puts forth low-complexity Riemannian subspace descent algorithms for the minimization of functions over the symmetric positive definite (SPD) manifold. Different from the existing Riemannian gradient descent variants, the proposed approach utilizes carefully chosen subspaces that allow the update to be written as a product of the Cholesky factor of the iterate and a sparse matrix. The resulting updates avoid the costly matrix operations like matrix exponentiation and dense matrix multiplication, which are generally required in almost all other Riemannian optimization algorithms on SPD manifold. We further identify a broad class of functions, arising in diverse applications, such as kernel matrix learning, covariance estimation of Gaussian distributions, maximum likelihood parameter estimation of elliptically contoured distributions, and parameter estimation in Gaussian mixture model problems, over which the Riemannian gradients can be calculated efficiently. The proposed uni-directional and multi-directional Riemannian subspace descent variants incur per-iteration complexities of $O(n)$ and $O(n^2)$ respectively, as compared to the $O(n^3)$ or higher complexity incurred by all existing Riemannian gradient descent variants. The superior runtime and low per-iteration complexity of the proposed algorithms is also demonstrated via numerical tests on large-scale covariance estimation and matrix square root problems. MATLAB code implementation is publicly available on GitHub : //github.com/yogeshd-iitk/subspace_descent_over_SPD_manifold

Simulation-based inference (SBI) provides a powerful framework for inferring posterior distributions of stochastic simulators in a wide range of domains. In many settings, however, the posterior distribution is not the end goal itself -- rather, the derived parameter values and their uncertainties are used as a basis for deciding what actions to take. Unfortunately, because posterior distributions provided by SBI are (potentially crude) approximations of the true posterior, the resulting decisions can be suboptimal. Here, we address the question of how to perform Bayesian decision making on stochastic simulators, and how one can circumvent the need to compute an explicit approximation to the posterior. Our method trains a neural network on simulated data and can predict the expected cost given any data and action, and can, thus, be directly used to infer the action with lowest cost. We apply our method to several benchmark problems and demonstrate that it induces similar cost as the true posterior distribution. We then apply the method to infer optimal actions in a real-world simulator in the medical neurosciences, the Bayesian Virtual Epileptic Patient, and demonstrate that it allows to infer actions associated with low cost after few simulations.

Successful machine learning involves a complete pipeline of data, model, and downstream applications. Instead of treating them separately, there has been a prominent increase of attention within the constrained optimization (CO) and machine learning (ML) communities towards combining prediction and optimization models. The so-called end-to-end (E2E) learning captures the task-based objective for which they will be used for decision making. Although a large variety of E2E algorithms have been presented, it has not been fully investigated how to systematically address uncertainties involved in such models. Most of the existing work considers the uncertainties of ML in the input space and improves robustness through adversarial training. We apply the same idea to E2E learning and prove that there is a robustness certification procedure by solving augmented integer programming. Furthermore, we show that neglecting the uncertainty of COs during training causes a new trigger for generalization errors. To include all these components, we propose a unified framework that covers the uncertainties emerging in both the input feature space of the ML models and the COs. The framework is described as a robust optimization problem and is practically solved via end-to-end adversarial training (E2E-AT). Finally, the performance of E2E-AT is evaluated by a real-world end-to-end power system operation problem, including load forecasting and sequential scheduling tasks.

In this paper, a new two-relaxation-time regularized (TRT-R) lattice Boltzmann (LB) model for convection-diffusion equation (CDE) with variable coefficients is proposed. Within this framework, we first derive a TRT-R collision operator by constructing a new regularized procedure through the high-order Hermite expansion of non-equilibrium. Then a first-order discrete-velocity form of discrete source term is introduced to improve the accuracy of the source term. Finally and most importantly, a new first-order space-derivative auxiliary term is proposed to recover the correct CDE with variable coefficients. To evaluate this model, we simulate a classic benchmark problem of the rotating Gaussian pulse. The results show that our model has better accuracy, stability and convergence than other popular LB models, especially in the case of a large time step.

External and internal convertible (EIC) form-based motion control is one of the effective designs of simultaneously trajectory tracking and balance for underactuated balance robots. Under certain conditions, the EIC-based control design however leads to uncontrolled robot motion. We present a Gaussian process (GP)-based data-driven learning control for underactuated balance robots with the EIC modeling structure. Two GP-based learning controllers are presented by using the EIC structure property. The partial EIC (PEIC)-based control design partitions the robotic dynamics into a fully actuated subsystem and one reduced-order underactuated system. The null-space EIC (NEIC)-based control compensates for the uncontrolled motion in a subspace, while the other closed-loop dynamics are not affected. Under the PEIC- and NEIC-based, the tracking and balance tasks are guaranteed and convergence rate and bounded errors are achieved without causing any uncontrolled motion by the original EIC-based control. We validate the results and demonstrate the GP-based learning control design performance using two inverted pendulum platforms.

Multi-task learning (MTL) creates a single machine learning model called multi-task model to simultaneously perform multiple tasks. Although the security of single task classifiers has been extensively studied, there are several critical security research questions for multi-task models including 1) How secure are multi-task models to single task adversarial machine learning attacks, 2) Can adversarial attacks be designed to attack multiple tasks simultaneously, and 3) Does task sharing and adversarial training increase multi-task model robustness to adversarial attacks? In this paper, we answer these questions through careful analysis and rigorous experimentation. First, we develop na\"ive adaptation of single-task white-box attacks and analyze their inherent drawbacks. We then propose a novel attack framework, Dynamic Gradient Balancing Attack (DGBA). Our framework poses the problem of attacking a multi-task model as an optimization problem based on averaged relative loss change, which can be solved by approximating the problem as an integer linear programming problem. Extensive evaluation on two popular MTL benchmarks, NYUv2 and Tiny-Taxonomy, demonstrates the effectiveness of DGBA compared to na\"ive multi-task attack baselines on both clean and adversarially trained multi-task models. The results also reveal a fundamental trade-off between improving task accuracy by sharing parameters across tasks and undermining model robustness due to increased attack transferability from parameter sharing. DGBA is open-sourced and available at //github.com/zhanglijun95/MTLAttack-DGBA.

Many applications, such as optimization, uncertainty quantification and inverse problems, require repeatedly performing simulations of large-dimensional physical systems for different choices of parameters. This can be prohibitively expensive. In order to save computational cost, one can construct surrogate models by expressing the system in a low-dimensional basis, obtained from training data. This is referred to as model reduction. Past investigations have shown that, when performing model reduction of Hamiltonian systems, it is crucial to preserve the symplectic structure associated with the system in order to ensure long-term numerical stability. Up to this point structure-preserving reductions have largely been limited to linear transformations. We propose a new neural network architecture in the spirit of autoencoders, which are established tools for dimension reduction and feature extraction in data science, to obtain more general mappings. In order to train the network, a non-standard gradient descent approach is applied that leverages the differential-geometric structure emerging from the network design. The new architecture is shown to significantly outperform existing designs in accuracy.

We study estimation of an $s$-sparse signal in the $p$-dimensional Gaussian sequence model with equicorrelated observations and derive the minimax rate. A new phenomenon emerges from correlation, namely the rate scales with respect to $p-2s$ and exhibits a phase transition at $p-2s \asymp \sqrt{p}$. Correlation is shown to be a blessing provided it is sufficiently strong, and the critical correlation level exhibits a delicate dependence on the sparsity level. Due to correlation, the minimax rate is driven by two subproblems: estimation of a linear functional (the average of the signal) and estimation of the signal's $(p-1)$-dimensional projection onto the orthogonal subspace. The high-dimensional projection is estimated via sparse regression and the linear functional is cast as a robust location estimation problem. Existing robust estimators turn out to be suboptimal, and we show a kernel mode estimator with a widening bandwidth exploits the Gaussian character of the data to achieve the optimal estimation rate.