Collision detection plays a key role in the simulation of interacting rigid bodies. However, owing to its computational complexity current methods typically prioritize either maximizing processing speed or fidelity to real-world behaviors. Fast real-time detection is achieved by simulating collisions with simple geometric shapes whereas incorporating more realistic geometries with multiple points of contact requires considerable computing power which slows down collision detection. In this work, we present a new approach to modeling and simulating collision-inclusive multibody dynamics by leveraging computer algebra system (CAS). This approach offers flexibility in modeling a diverse set of multibody systems applications ranging from human biomechanics to space manipulators with docking interfaces, since the geometric relationships between points and rigid bodies are handled in a generalizable manner. We also analyze the performance of integrating this symbolic modeling approach with collision detection formulated either as a traditional overlap test or as a convex optimization problem. We compare these two collision detection methods in different scenarios and collision resolution using a penalty-based method to simulate dynamics. This work demonstrates an effective simplification in solving collision dynamics problems using a symbolic approach, especially for the algorithm based on convex optimization, which is simpler to implement and, in complex collision scenarios, faster than the overlap test.

Methods of artificial intelligence (AI) and especially machine learning (ML) have been growing ever more complex, and at the same time have more and more impact on people's lives. This leads to explainable AI (XAI) manifesting itself as an important research field that helps humans to better comprehend ML systems. In parallel, quantum machine learning (QML) is emerging with the ongoing improvement of quantum computing hardware combined with its increasing availability via cloud services. QML enables quantum-enhanced ML in which quantum mechanics is exploited to facilitate ML tasks, typically in form of quantum-classical hybrid algorithms that combine quantum and classical resources. Quantum gates constitute the building blocks of gate-based quantum hardware and form circuits that can be used for quantum computations. For QML applications, quantum circuits are typically parameterized and their parameters are optimized classically such that a suitably defined objective function is minimized. Inspired by XAI, we raise the question of explainability of such circuits by quantifying the importance of (groups of) gates for specific goals. To this end, we transfer and adapt the well-established concept of Shapley values to the quantum realm. The resulting attributions can be interpreted as explanations for why a specific circuit works well for a given task, improving the understanding of how to construct parameterized (or variational) quantum circuits, and fostering their human interpretability in general. An experimental evaluation on simulators and two superconducting quantum hardware devices demonstrates the benefits of the proposed framework for classification, generative modeling, transpilation, and optimization. Furthermore, our results shed some light on the role of specific gates in popular QML approaches.

This paper is proposed to efficiently provide a convex approximation for the probabilistic reachable set of a dynamic system in the face of uncertainties. When the uncertainties are not limited to bounded ones, it may be impossible to find a bounded reachable set of the system. Instead, we turn to find a probabilistic reachable set that bounds system states with confidence. A data-driven approach of Kernel Density Estimator (KDE) accelerated by Fast Fourier Transform (FFT) is customized to model the uncertainties and obtain the probabilistic reachable set efficiently. However, the irregular or non-convex shape of the probabilistic reachable set refrains it from practice. For the sake of real applications, we formulate an optimization problem as Mixed Integer Nonlinear Programming (MINLP) whose solution accounts for an optimal $n$-sided convex polygon to approximate the probabilistic reachable set. A heuristic algorithm is then developed to solve the MINLP efficiently while ensuring accuracy. The results of comprehensive case studies demonstrate the near-optimality, accuracy, efficiency, and robustness enjoyed by the proposed algorithm. The benefits of this work pave the way for its promising applications to safety-critical real-time motion planning of uncertain systems.

We study decentralized learning in two-player zero-sum discounted Markov games where the goal is to design a policy optimization algorithm for either agent satisfying two properties. First, the player does not need to know the policy of the opponent to update its policy. Second, when both players adopt the algorithm, their joint policy converges to a Nash equilibrium of the game. To this end, we construct a meta algorithm, dubbed as $\texttt{Homotopy-PO}$, which provably finds a Nash equilibrium at a global linear rate. In particular, $\texttt{Homotopy-PO}$ interweaves two base algorithms $\texttt{Local-Fast}$ and $\texttt{Global-Slow}$ via homotopy continuation. $\texttt{Local-Fast}$ is an algorithm that enjoys local linear convergence while $\texttt{Global-Slow}$ is an algorithm that converges globally but at a slower sublinear rate. By switching between these two base algorithms, $\texttt{Global-Slow}$ essentially serves as a ``guide'' which identifies a benign neighborhood where $\texttt{Local-Fast}$ enjoys fast convergence. However, since the exact size of such a neighborhood is unknown, we apply a doubling trick to switch between these two base algorithms. The switching scheme is delicately designed so that the aggregated performance of the algorithm is driven by $\texttt{Local-Fast}$. Furthermore, we prove that $\texttt{Local-Fast}$ and $\texttt{Global-Slow}$ can both be instantiated by variants of optimistic gradient descent/ascent (OGDA) method, which is of independent interest.

Gradient descent is a fundamental algorithm in both theory and practice for continuous optimization. Identifying its quantum counterpart would be appealing to both theoretical and practical quantum applications. A conventional approach to quantum speedups in optimization relies on the quantum acceleration of intermediate steps of classical algorithms, while keeping the overall algorithmic trajectory and solution quality unchanged. We propose Quantum Hamiltonian Descent (QHD), which is derived from the path integral of dynamical systems referring to the continuous-time limit of classical gradient descent algorithms, as a truly quantum counterpart of classical gradient methods where the contribution from classically-prohibited trajectories can significantly boost QHD's performance for non-convex optimization. Moreover, QHD is described as a Hamiltonian evolution efficiently simulatable on both digital and analog quantum computers. By embedding the dynamics of QHD into the evolution of the so-called Quantum Ising Machine (including D-Wave and others), we empirically observe that the D-Wave-implemented QHD outperforms a selection of state-of-the-art gradient-based classical solvers and the standard quantum adiabatic algorithm, based on the time-to-solution metric, on non-convex constrained quadratic programming instances up to 75 dimensions. Finally, we propose a "three-phase picture" to explain the behavior of QHD, especially its difference from the quantum adiabatic algorithm.

To reduce the repetitive and complex work of instructors, exam paper generation (EPG) technique has become a salient topic in the intelligent education field, which targets at generating high-quality exam paper automatically according to instructor-specified assessment criteria. The current advances utilize the ability of heuristic algorithms to optimize several well-known objective constraints, such as difficulty degree, number of questions, etc., for producing optimal solutions. However, in real scenarios, considering other equally relevant objectives (e.g., distribution of exam scores, skill coverage) is extremely important. Besides, how to develop an automatic multi-objective solution that finds an optimal subset of questions from a huge search space of large-sized question datasets and thus composes a high-quality exam paper is urgent but non-trivial. To this end, we skillfully design a reinforcement learning guided Multi-Objective Exam Paper Generation framework, termed MOEPG, to simultaneously optimize three exam domain-specific objectives including difficulty degree, distribution of exam scores, and skill coverage. Specifically, to accurately measure the skill proficiency of the examinee group, we first employ deep knowledge tracing to model the interaction information between examinees and response logs. We then design the flexible Exam Q-Network, a function approximator, which automatically selects the appropriate question to update the exam paper composition process. Later, MOEPG divides the decision space into multiple subspaces to better guide the updated direction of the exam paper. Through extensive experiments on two real-world datasets, we demonstrate that MOEPG is feasible in addressing the multiple dilemmas of exam paper generation scenario.

Recently, there has been a growing surge of interest in enabling machine learning systems to generalize well to Out-of-Distribution (OOD) data. Most efforts are devoted to advancing optimization objectives that regularize models to capture the underlying invariance; however, there often are compromises in the optimization process of these OOD objectives: i) Many OOD objectives have to be relaxed as penalty terms of Empirical Risk Minimization (ERM) for the ease of optimization, while the relaxed forms can weaken the robustness of the original objective; ii) The penalty terms also require careful tuning of the penalty weights due to the intrinsic conflicts between ERM and OOD objectives. Consequently, these compromises could easily lead to suboptimal performance of either the ERM or OOD objective. To address these issues, we introduce a multi-objective optimization (MOO) perspective to understand the OOD optimization process, and propose a new optimization scheme called PAreto Invariant Risk Minimization (PAIR). PAIR improves the robustness of OOD objectives by cooperatively optimizing with other OOD objectives, thereby bridging the gaps caused by the relaxations. Then PAIR approaches a Pareto optimal solution that trades off the ERM and OOD objectives properly. Extensive experiments on challenging benchmarks, WILDS, show that PAIR alleviates the compromises and yields top OOD performances.

We present a methodology to automatically compute worst-case performance bounds for a large class of first-order decentralized optimization algorithms. These algorithms aim at minimizing the average of local functions that are distributed across a network of agents. They typically combine local computations and consensus steps. Our methodology is based on the approach of Performance Estimation Problem (PEP), which allows computing the worst-case performance and a worst-case instance of first-order optimization algorithms by solving an SDP. We propose two ways of representing consensus steps in PEPs, which allow writing and solving PEPs for decentralized optimization. The first formulation is exact but specific to a given averaging matrix. The second formulation is a relaxation but provides guarantees valid over an entire class of averaging matrices, characterized by their spectral range. This formulation often allows recovering a posteriori the worst possible averaging matrix for the given algorithm. We apply our methodology to three different decentralized methods. For each of them, we obtain numerically tight worst-case performance bounds that significantly improve on the existing ones, as well as insights about the parameters tuning and the worst communication networks.

Autonomous vehicles (AVs) must share the driving space with other drivers and often employ conservative motion planning strategies to ensure safety. These conservative strategies can negatively impact AV's performance and significantly slow traffic throughput. Therefore, to avoid conservatism, we design an interaction-aware motion planner for the ego vehicle (AV) that interacts with surrounding vehicles to perform complex maneuvers in a locally optimal manner. Our planner uses a neural network-based interactive trajectory predictor and analytically integrates it with model predictive control (MPC). We solve the MPC optimization using the alternating direction method of multipliers (ADMM) and prove the algorithm's convergence. We provide an empirical study and compare our method with a baseline heuristic method.

For combinatorial optimization problems, model-based approaches such as mixed-integer programming (MIP) and constraint programming (CP) aim to decouple modeling and solving a problem: the 'holy grail' of declarative problem solving. We propose domain-independent dynamic programming (DIDP), a new model-based paradigm based on dynamic programming (DP). While DP is not new, it has typically been implemented as a problem-specific method. We propose Dynamic Programming Description Language (DyPDL), a formalism to define DP models, and develop Cost-Algebraic A* Solver for DyPDL (CAASDy), a generic solver for DyPDL using state space search. We formalize existing problem-specific DP and state space search methods for combinatorial optimization problems as DP models in DyPDL. Using CAASDy and commercial MIP and CP solvers, we experimentally compare the DP models with existing MIP and CP models, showing that, despite its nascent nature, CAASDy outperforms MIP and CP on a number of common problem classes.