We study an optimal investment problem that arises in the context of the vehicle-sharing system. Given a set of locations to build stations, we need to determine i) the sequence of stations to be built and the number of vehicles to acquire in order to obtain the target state where all stations are built, and ii) the number of vehicles to acquire and their allocation in order to maximize the total profit returned by operating the system when some or all stations are open. The profitability associated with operating open stations, measured over a specific time period, is represented as a linear optimization problem applied to a collection of open stations. With operating capital, the owner of the system can open new stations. This property introduces a set-dependent aspect to the duration required for opening a new station, and the optimal investment problem can be viewed as a variant of the Traveling Salesman Problem (TSP) with set-dependent cost. We propose an A* search algorithm to address this particular variant of the TSP. Computational experiments highlight the benefits of the proposed algorithm in comparison to the widely recognized Dijkstra algorithm and propose future research to explore new possibilities and applications for both exact and approximate A* algorithms.

This report provides an introduction to the ensmallen numerical optimization library, as well as a deep dive into the technical details of how it works. The library provides a fast and flexible C++ framework for mathematical optimization of arbitrary user-supplied functions. A large set of pre-built optimizers is provided, including many variants of Stochastic Gradient Descent and Quasi-Newton optimizers. Several types of objective functions are supported, including differentiable, separable, constrained, and categorical objective functions. Implementation of a new optimizer requires only one method, while a new objective function requires typically only one or two C++ methods. Through internal use of C++ template metaprogramming, ensmallen provides support for arbitrary user-supplied callbacks and automatic inference of unsupplied methods without any runtime overhead. Empirical comparisons show that ensmallen outperforms other optimization frameworks (such as Julia and SciPy), sometimes by large margins. The library is available at https://ensmallen.org and is distributed under the permissive BSD license.

We study the real-valued combinatorial pure exploration of the multi-armed bandit (R-CPE-MAB) problem. In R-CPE-MAB, a player is given $d$ stochastic arms, and the reward of each arm $s\in\{1, \ldots, d\}$ follows an unknown distribution with mean $\mu_s$. In each time step, a player pulls a single arm and observes its reward. The player's goal is to identify the optimal \emph{action} $\boldsymbol{\pi}^{*} = \argmax_{\boldsymbol{\pi} \in \mathcal{A}} \boldsymbol{\mu}^{\top}\boldsymbol{\pi}$ from a finite-sized real-valued \emph{action set} $\mathcal{A}\subset \mathbb{R}^{d}$ with as few arm pulls as possible. Previous methods in the R-CPE-MAB assume that the size of the action set $\mathcal{A}$ is polynomial in $d$. We introduce an algorithm named the Generalized Thompson Sampling Explore (GenTS-Explore) algorithm, which is the first algorithm that can work even when the size of the action set is exponentially large in $d$. We also introduce a novel problem-dependent sample complexity lower bound of the R-CPE-MAB problem, and show that the GenTS-Explore algorithm achieves the optimal sample complexity up to a problem-dependent constant factor.

Coreset selection is powerful in reducing computational costs and accelerating data processing for deep learning algorithms. It strives to identify a small subset from large-scale data, so that training only on the subset practically performs on par with full data. When coreset selection is applied in realistic scenes, under the premise that the identified coreset has achieved comparable model performance, practitioners regularly desire the identified coreset can have a size as small as possible for lower costs and greater acceleration. Motivated by this desideratum, for the first time, we pose the problem of "coreset selection with prioritized multiple objectives", in which the smallest coreset size under model performance constraints is explored. Moreover, to address this problem, an innovative method is proposed, which maintains optimization priority order over the model performance and coreset size, and efficiently optimizes them in the coreset selection procedure. Theoretically, we provide the convergence guarantee of the proposed method. Empirically, extensive experiments confirm its superiority compared with previous strategies, often yielding better model performance with smaller coreset sizes.

We focus on the task of approximating the optimal value function in deep reinforcement learning. This iterative process is comprised of solving a sequence of optimization problems where the loss function changes per iteration. The common approach to solving this sequence of problems is to employ modern variants of the stochastic gradient descent algorithm such as Adam. These optimizers maintain their own internal parameters such as estimates of the first-order and the second-order moments of the gradient, and update them over time. Therefore, information obtained in previous iterations is used to solve the optimization problem in the current iteration. We demonstrate that this can contaminate the moment estimates because the optimization landscape can change arbitrarily from one iteration to the next one. To hedge against this negative effect, a simple idea is to reset the internal parameters of the optimizer when starting a new iteration. We empirically investigate this resetting idea by employing various optimizers in conjunction with the Rainbow algorithm. We demonstrate that this simple modification significantly improves the performance of deep RL on the Atari benchmark.

Estimating hyperparameters has been a long-standing problem in machine learning. We consider the case where the task at hand is modeled as the solution to an optimization problem. Here the exact gradient with respect to the hyperparameters cannot be feasibly computed and approximate strategies are required. We introduce a unified framework for computing hypergradients that generalizes existing methods based on the implicit function theorem and automatic differentiation/backpropagation, showing that these two seemingly disparate approaches are actually tightly connected. Our framework is extremely flexible, allowing its subproblems to be solved with any suitable method, to any degree of accuracy. We derive a priori and computable a posteriori error bounds for all our methods, and numerically show that our a posteriori bounds are usually more accurate. Our numerical results also show that, surprisingly, for efficient bilevel optimization, the choice of hypergradient algorithm is at least as important as the choice of lower-level solver.

Reinforcement Learning views the maximization of rewards and avoidance of punishments as central to explaining goal-directed behavior. However, over a life, organisms will need to learn about many different aspects of the world's structure: the states of the world and state-vector transition dynamics. The number of combinations of states grows exponentially as an agent incorporates new knowledge, and there is no obvious weighted combination of pre-existing rewards or costs defined for a given combination of states, as such a weighting would need to encode information about good and bad combinations prior to an agent's experience in the world. Therefore, we must develop more naturalistic accounts of behavior and motivation in large state-spaces. We show that it is possible to use only the intrinsic motivation metric of empowerment, which measures the agent's capacity to realize many possible futures under a transition operator. We propose to scale empowerment to hierarchical state-spaces by using Operator Bellman Equations. These equations produce state-time feasibility functions, which are compositional hierarchical state-time transition operators that map an initial state and time when an agent begins a policy to the final states and times of completing a goal. Because these functions are hierarchical operators we can define hierarchical empowerment measures on them. An agent can then optimize plans to distant states and times to maximize its hierarchical empowerment-gain, allowing it to discover goals that bring about a more favorable coupling of its internal structure (physiological states) to its external environment (world structure & spatial state). Life-long agents could therefore be primarily animated by principles of compositionality and empowerment, exhibiting self-concern for the growth & maintenance of their own structural integrity without recourse to reward-maximization.

We introduce and study constrained Markov Decision Processes (cMDPs) with anytime constraints. An anytime constraint requires the agent to never violate its budget at any point in time, almost surely. Although Markovian policies are no longer sufficient, we show that there exist optimal deterministic policies augmented with cumulative costs. In fact, we present a fixed-parameter tractable reduction from anytime-constrained cMDPs to unconstrained MDPs. Our reduction yields planning and learning algorithms that are time and sample-efficient for tabular cMDPs so long as the precision of the costs is logarithmic in the size of the cMDP. However, we also show that computing non-trivial approximately optimal policies is NP-hard in general. To circumvent this bottleneck, we design provable approximation algorithms that efficiently compute or learn an arbitrarily accurate approximately feasible policy with optimal value so long as the maximum supported cost is bounded by a polynomial in the cMDP or the absolute budget. Given our hardness results, our approximation guarantees are the best possible under worst-case analysis.

Recent breakthroughs in generative modeling have sparked interest in practical single-model attribution. Such methods predict whether a sample was generated by a specific generator or not, for instance, to prove intellectual property theft. However, previous works are either limited to the closed-world setting or require undesirable changes to the generative model. We address these shortcomings by, first, viewing single-model attribution through the lens of anomaly detection. Arising from this change of perspective, we propose FLIPAD, a new approach for single-model attribution in the open-world setting based on final-layer inversion and anomaly detection. We show that the utilized final-layer inversion can be reduced to a convex lasso optimization problem, making our approach theoretically sound and computationally efficient. The theoretical findings are accompanied by an experimental study demonstrating the effectiveness of our approach and its flexibility to various domains.

We propose a novel methodology for forecasting spatio-temporal data using supervised semi-nonnegative matrix factorization (SSNMF) with frequency regularization. Matrix factorization is employed to decompose spatio-temporal data into spatial and temporal components. To improve clarity in the temporal patterns, we introduce a nonnegativity constraint on the time domain along with regularization in the frequency domain. Specifically, regularization in the frequency domain involves selecting features in the frequency space, making an interpretation in the frequency domain more convenient. We propose two methods in the frequency domain: soft and hard regularizations, and provide convergence guarantees to first-order stationary points of the corresponding constrained optimization problem. While our primary motivation stems from geophysical data analysis based on GRACE (Gravity Recovery and Climate Experiment) data, our methodology has the potential for wider application. Consequently, when applying our methodology to GRACE data, we find that the results with the proposed methodology are comparable to previous research in the field of geophysical sciences but offer clearer interpretability.