Jonas Nüßlein, Christoph Roch, Thomas Gabor et al.
Black-box optimization (BBO) can be used to optimize functions whose analytic form is unknown. A common approach to realising BBO is to learn a surrogate model which approximates the target black-box function which can then be solved via white-box optimization methods. In this paper, we present our approach BOX-QUBO, where the surrogate model is a QUBO matrix. However, unlike in previous state-of-the-art approaches, this matrix is not trained entirely by regression, but mostly by classification between 'good' and 'bad' solutions. This better accounts for the low capacity of the QUBO matrix, resulting in significantly better solutions overall. We tested our approach against the state-of-the-art on four domains and in all of them BOX-QUBO showed better results. A second contribution of this paper is the idea to also solve white-box problems, i.e. problems which could be directly formulated as QUBO, by means of black-box optimization in order to reduce the size of the QUBOs to the information-theoretic minimum. Experiments show that this significantly improves the results for MAX-k-SAT.
The development of Machine Learning (ML) models is more than just a special case of software development (SD): ML models acquire properties and fulfill requirements even without direct human interaction in a seemingly uncontrollable manner. Nonetheless, the underlying processes can be described in a formal way. We define a comprehensive SD process model for ML that encompasses most tasks and artifacts described in the literature in a consistent way. In addition to the production of the necessary artifacts, we also focus on generating and validating fitting descriptions in the form of specifications. We stress the importance of further evolving the ML model throughout its life-cycle even after initial training and testing. Thus, we provide various interaction points with standard SD processes in which ML often is an encapsulated task. Further, our SD process model allows to formulate ML as a (meta-) optimization problem. If automated rigorously, it can be used to realize self-adaptive autonomous systems. Finally, our SD process model features a description of time that allows to reason about the progress within ML development processes. This might lead to further applications of formal methods within the field of ML.
Daniëlle Schuman, Leo Sünkel, Philipp Altmann et al.
Quantum Transfer Learning (QTL) recently gained popularity as a hybrid quantum-classical approach for image classification tasks by efficiently combining the feature extraction capabilities of large Convolutional Neural Networks with the potential benefits of Quantum Machine Learning (QML). Existing approaches, however, only utilize gate-based Variational Quantum Circuits for the quantum part of these procedures. In this work we present an approach to employ Quantum Annealing (QA) in QTL-based image classification. Specifically, we propose using annealing-based Quantum Boltzmann Machines as part of a hybrid quantum-classical pipeline to learn the classification of real-world, large-scale data such as medical images through supervised training. We demonstrate our approach by applying it to the three-class COVID-CT-MD dataset, a collection of lung Computed Tomography (CT) scan slices. Using Simulated Annealing as a stand-in for actual QA, we compare our method to classical transfer learning, using a neural network of the same order of magnitude, to display its improved classification performance. We find that our approach consistently outperforms its classical baseline in terms of test accuracy and AUC-ROC-Score and needs less training epochs to do this.
Jonas Nüßlein, Steffen Illium, Robert Müller et al.
Providing expert trajectories in the context of Imitation Learning is often expensive and time-consuming. The goal must therefore be to create algorithms which require as little expert data as possible. In this paper we present an algorithm that imitates the higher-level strategy of the expert rather than just imitating the expert on action level, which we hypothesize requires less expert data and makes training more stable. As a prior, we assume that the higher-level strategy is to reach an unknown target state area, which we hypothesize is a valid prior for many domains in Reinforcement Learning. The target state area is unknown, but since the expert has demonstrated how to reach it, the agent tries to reach states similar to the expert. Building on the idea of Temporal Coherence, our algorithm trains a neural network to predict whether two states are similar, in the sense that they may occur close in time. During inference, the agent compares its current state with expert states from a Case Base for similarity. The results show that our approach can still learn a near-optimal policy in settings with very little expert data, where algorithms that try to imitate the expert at the action level can no longer do so.
Steffen Illium, Thore Schillman, Robert Müller et al.
Common to all different kinds of recurrent neural networks (RNNs) is the intention to model relations between data points through time. When there is no immediate relationship between subsequent data points (like when the data points are generated at random, e.g.), we show that RNNs are still able to remember a few data points back into the sequence by memorizing them by heart using standard backpropagation. However, we also show that for classical RNNs, LSTM and GRU networks the distance of data points between recurrent calls that can be reproduced this way is highly limited (compared to even a loose connection between data points) and subject to various constraints imposed by the type and size of the RNN in question. This implies the existence of a hard limit (way below the information-theoretic one) for the distance between related data points within which RNNs are still able to recognize said relation.
We propose discriminative reward co-training (DIRECT) as an extension to deep reinforcement learning algorithms. Building upon the concept of self-imitation learning (SIL), we introduce an imitation buffer to store beneficial trajectories generated by the policy determined by their return. A discriminator network is trained concurrently to the policy to distinguish between trajectories generated by the current policy and beneficial trajectories generated by previous policies. The discriminator's verdict is used to construct a reward signal for optimizing the policy. By interpolating prior experience, DIRECT is able to act as a surrogate, steering policy optimization towards more valuable regions of the reward landscape thus learning an optimal policy. Our results show that DIRECT outperforms state-of-the-art algorithms in sparse- and shifting-reward environments being able to provide a surrogate reward to the policy and direct the optimization towards valuable areas.
Steffen Illium, Maximilian Zorn, Cristian Lenta et al.
We introduce organism networks, which function like a single neural network but are composed of several neural particle networks; while each particle network fulfils the role of a single weight application within the organism network, it is also trained to self-replicate its own weights. As organism networks feature vastly more parameters than simpler architectures, we perform our initial experiments on an arithmetic task as well as on simplified MNIST-dataset classification as a collective. We observe that individual particle networks tend to specialise in either of the tasks and that the ones fully specialised in the secondary task may be dropped from the network without hindering the computational accuracy of the primary task. This leads to the discovery of a novel pruning-strategy for sparse neural networks
We propose distributed online open loop planning (DOOLP), a general framework for online multiagent coordination and decision making under uncertainty. DOOLP is based on online heuristic search in the space defined by a generative model of the domain dynamics, which is exploited by agents to simulate and evaluate the consequences of their potential choices. We also propose distributed online Thompson sampling (DOTS) as an effective instantiation of the DOOLP framework. DOTS models sequences of agent choices by concatenating a number of multiarmed bandits for each agent and uses Thompson sampling for dealing with action value uncertainty. The Bayesian approach underlying Thompson sampling allows to effectively model and estimate uncertainty about (a) own action values and (b) other agents' behavior. This approach yields a principled and statistically sound solution to the exploration-exploitation dilemma when exploring large search spaces with limited resources. We implemented DOTS in a smart factory case study with positive empirical results. We observed effective, robust and scalable planning and coordination capabilities even when only searching a fraction of the potential search space.
Michael Kölle, Daniel Seidl, Maximilian Zorn et al.
Quantum Reinforcement Learning (QRL) offers potential advantages over classical Reinforcement Learning, such as compact state space representation and faster convergence in certain scenarios. However, practical benefits require further validation. QRL faces challenges like flat solution landscapes, where traditional gradient-based methods are inefficient, necessitating the use of gradient-free algorithms. This work explores the integration of metaheuristic algorithms -- Particle Swarm Optimization, Ant Colony Optimization, Tabu Search, Genetic Algorithm, Simulated Annealing, and Harmony Search -- into QRL. These algorithms provide flexibility and efficiency in parameter optimization. Evaluations in $5\times5$ MiniGrid Reinforcement Learning environments show that, all algorithms yield near-optimal results, with Simulated Annealing and Particle Swarm Optimization performing best. In the Cart Pole environment, Simulated Annealing, Genetic Algorithms, and Particle Swarm Optimization achieve optimal results, while the others perform slightly better than random action selection. These findings demonstrate the potential of Particle Swarm Optimization and Simulated Annealing for efficient QRL learning, emphasizing the need for careful algorithm selection and adaptation.
Quantum optimization allows for up to exponential quantum speedups for specific, possibly industrially relevant problems. As the key algorithm in this field, we motivate and discuss the Quantum Approximate Optimization Algorithm (QAOA), which can be understood as a slightly generalized version of Quantum Annealing for gate-based quantum computers. We delve into the quantum circuit implementation of the QAOA, including Hamiltonian simulation techniques for higher-order Ising models, and discuss parameter training using the parameter shift rule. An example implementation with Pennylane source code demonstrates practical application for the Maximum Cut problem. Further, we show how constraints can be incorporated into the QAOA using Grover mixers, allowing to restrict the search space to strictly valid solutions for specific problems. Finally, we outline the Variational Quantum Eigensolver (VQE) as a generalization of the QAOA, highlighting its potential in the NISQ era and addressing challenges such as barren plateaus and ansatz design.
Gerhard Stenzel, Sebastian Zielinski, Michael Kölle et al.
To address the computational complexity associated with state-vector simulation for quantum circuits, we propose a combination of advanced techniques to accelerate circuit execution. Quantum gate matrix caching reduces the overhead of repeated applications of the Kronecker product when applying a gate matrix to the state vector by storing decomposed partial matrices for each gate. Circuit splitting divides the circuit into sub-circuits with fewer gates by constructing a dependency graph, enabling parallel or sequential execution on disjoint subsets of the state vector. These techniques are implemented using the PyTorch machine learning framework. We demonstrate the performance of our approach by comparing it to other PyTorch-compatible quantum state-vector simulators. Our implementation, named Qandle, is designed to seamlessly integrate with existing machine learning workflows, providing a user-friendly API and compatibility with the OpenQASM format. Qandle is an open-source project hosted on GitHub https://github.com/gstenzel/qandle and PyPI https://pypi.org/project/qandle/ .
Philipp Altmann, Jonas Stein, Michael Kölle et al.
Quantum computing (QC) in the current NISQ era is still limited in size and precision. Hybrid applications mitigating those shortcomings are prevalent to gain early insight and advantages. Hybrid quantum machine learning (QML) comprises both the application of QC to improve machine learning (ML) and ML to improve QC architectures. This work considers the latter, leveraging reinforcement learning (RL) to improve quantum circuit design (QCD), which we formalize by a set of generic objectives. Furthermore, we propose qcd-gym, a concrete framework formalized as a Markov decision process, to enable learning policies capable of controlling a universal set of continuously parameterized quantum gates. Finally, we provide benchmark comparisons to assess the shortcomings and strengths of current state-of-the-art RL algorithms.
Quantum Computing aims to streamline machine learning, making it more effective with fewer trainable parameters. This reduction of parameters can speed up the learning process and reduce the use of computational resources. However, in the current phase of quantum computing development, known as the noisy intermediate-scale quantum era (NISQ), learning is difficult due to a limited number of qubits and widespread quantum noise. To overcome these challenges, researchers are focusing on variational quantum circuits (VQCs). VQCs are hybrid algorithms that merge a quantum circuit, which can be adjusted through parameters, with traditional classical optimization techniques. These circuits require only few qubits for effective learning. Recent studies have presented new ways of applying VQCs to reinforcement learning, showing promising results that warrant further exploration. This study investigates the effects of various techniques -- data re-uploading, input scaling, output scaling -- and introduces exponential learning rate decay in the quantum proximal policy optimization algorithm's actor-VQC. We assess these methods in the popular Frozen Lake and Cart Pole environments. Our focus is on their ability to reduce the number of parameters in the VQC without losing effectiveness. Our findings indicate that data re-uploading and an exponential learning rate decay significantly enhance hyperparameter stability and overall performance. While input scaling does not improve parameter efficiency, output scaling effectively manages greediness, leading to increased learning speed and robustness.
Philipp Altmann, Céline Davignon, Maximilian Zorn et al.
To enhance the interpretability of Reinforcement Learning (RL), we propose Revealing Evolutionary Action Consequence Trajectories (REACT). In contrast to the prevalent practice of validating RL models based on their optimal behavior learned during training, we posit that considering a range of edge-case trajectories provides a more comprehensive understanding of their inherent behavior. To induce such scenarios, we introduce a disturbance to the initial state, optimizing it through an evolutionary algorithm to generate a diverse population of demonstrations. To evaluate the fitness of trajectories, REACT incorporates a joint fitness function that encourages both local and global diversity in the encountered states and chosen actions. Through assessments with policies trained for varying durations in discrete and continuous environments, we demonstrate the descriptive power of REACT. Our results highlight its effectiveness in revealing nuanced aspects of RL models' behavior beyond optimal performance, thereby contributing to improved interpretability.
Michael Kölle, Tom Bintener, Maximilian Zorn et al.
Quantum computing leverages the unique properties of qubits and quantum parallelism to solve problems intractable for classical systems, offering unparalleled computational potential. However, the optimization of quantum circuits remains critical, especially for noisy intermediate-scale quantum (NISQ) devices with limited qubits and high error rates. Genetic algorithms (GAs) provide a promising approach for efficient quantum circuit synthesis by automating optimization tasks. This work examines the impact of various mutation strategies within a GA framework for quantum circuit synthesis. By analyzing how different mutations transform circuits, it identifies strategies that enhance efficiency and performance. Experiments utilized a fitness function emphasizing fidelity, while accounting for circuit depth and T operations, to optimize circuits with four to six qubits. Comprehensive hyperparameter testing revealed that combining delete and swap strategies outperformed other approaches, demonstrating their effectiveness in developing robust GA-based quantum circuit optimizers.
Julian Schönberger, Maximilian Zorn, Jonas Nüßlein et al.
Building modern deep learning systems that are not just effective but also efficient requires rethinking established paradigms for model training and neural architecture design. Instead of adapting highly overparameterized networks and subsequently applying model compression techniques to reduce resource consumption, a new class of high-performing networks skips the need for expensive parameter updates, while requiring only a fraction of parameters, making them highly scalable. The Strong Lottery Ticket Hypothesis posits that within randomly initialized, sufficiently overparameterized neural networks, there exist subnetworks that can match the accuracy of the trained original model-without any training. This work explores the usage of genetic algorithms for identifying these strong lottery ticket subnetworks. We find that for instances of binary and multi-class classification tasks, our approach achieves better accuracies and sparsity levels than the current state-of-the-art without requiring any gradient information. In addition, we provide justification for the need for appropriate evaluation metrics when scaling to more complex network architectures and learning tasks.
Jonas Nüßlein, Maximilian Zorn, Fabian Ritz et al.
Reinforcement Learning (RL) policies are designed to predict actions based on current observations to maximize cumulative future rewards. In real-world applications (i.e., non-simulated environments), sensors are essential for measuring the current state and providing the observations on which RL policies rely to make decisions. A significant challenge in deploying RL policies in real-world scenarios is handling sensor dropouts, which can result from hardware malfunctions, physical damage, or environmental factors like dust on a camera lens. A common strategy to mitigate this issue is the use of backup sensors, though this comes with added costs. This paper explores the optimization of backup sensor configurations to maximize expected returns while keeping costs below a specified threshold, C. Our approach uses a second-order approximation of expected returns and includes penalties for exceeding cost constraints. We then optimize this quadratic program using Tabu Search, a meta-heuristic algorithm. The approach is evaluated across eight OpenAI Gym environments and a custom Unity-based robotic environment (RobotArmGrasping). Empirical results demonstrate that our quadratic program effectively approximates real expected returns, facilitating the identification of optimal sensor configurations.
Tobias Müller, Kyrill Schmid, Daniëlle Schuman et al.
The expansion of Fiber-To-The-Home (FTTH) networks creates high costs due to expensive excavation procedures. Optimizing the planning process and minimizing the cost of the earth excavation work therefore lead to large savings. Mathematically, the FTTH network problem can be described as a minimum Steiner Tree problem. Even though the Steiner Tree problem has already been investigated intensively in the last decades, it might be further optimized with the help of new computing paradigms and emerging approaches. This work studies upcoming technologies, such as Quantum Annealing, Simulated Annealing and nature-inspired methods like Evolutionary Algorithms or slime-mold-based optimization. Additionally, we investigate partitioning and simplifying methods. Evaluated on several real-life problem instances, we could outperform a traditional, widely-used baseline (NetworkX Approximate Solver) on most of the domains. Prior partitioning of the initial graph and the presented slime-mold-based approach were especially valuable for a cost-efficient approximation. Quantum Annealing seems promising, but was limited by the number of available qubits.
A characteristic of reinforcement learning is the ability to develop unforeseen strategies when solving problems. While such strategies sometimes yield superior performance, they may also result in undesired or even dangerous behavior. In industrial scenarios, a system's behavior also needs to be predictable and lie within defined ranges. To enable the agents to learn (how) to align with a given specification, this paper proposes to explicitly transfer functional and non-functional requirements into shaped rewards. Experiments are carried out on the smart factory, a multi-agent environment modeling an industrial lot-size-one production facility, with up to eight agents and different multi-agent reinforcement learning algorithms. Results indicate that compliance with functional and non-functional constraints can be achieved by the proposed approach.
Current hardware limitations restrict the potential when solving quadratic unconstrained binary optimization (QUBO) problems via the quantum approximate optimization algorithm (QAOA) or quantum annealing (QA). Thus, we consider training neural networks in this context. We first discuss QUBO problems that originate from translated instances of the traveling salesman problem (TSP): Analyzing this representation via autoencoders shows that there is way more information included than necessary to solve the original TSP. Then we show that neural networks can be used to solve TSP instances from both QUBO input and autoencoders' hiddenstate representation. We finally generalize the approach and successfully train neural networks to solve arbitrary QUBO problems, sketching means to use neuromorphic hardware as a simulator or an additional co-processor for quantum computing.
We discuss the synergetic connection between quantum computing and artificial intelligence. After surveying current approaches to quantum artificial intelligence and relating them to a formal model for machine learning processes, we deduce four major challenges for the future of quantum artificial intelligence: (i) Replace iterative training with faster quantum algorithms, (ii) distill the experience of larger amounts of data into the training process, (iii) allow quantum and classical components to be easily combined and exchanged, and (iv) build tools to thoroughly analyze whether observed benefits really stem from quantum properties of the algorithm.
Thomas Hubregtsen, Christoph Segler, Josef Pichlmeier et al.
Quantum computers hold great promise for accelerating computationally challenging algorithms on noisy intermediate-scale quantum (NISQ) devices in the upcoming years. Much attention of the current research is directed to algorithmic research on artificial data that is disconnected from live systems, such as optimization of systems or training of learning algorithms. In this paper we investigate the integration of quantum systems into industry-grade system architectures. In this work we propose a system architecture for the integration of quantum accelerators. In order to evaluate our proposed system architecture we implemented various algorithms including a classical system, a gate-based quantum accelerator and a quantum annealer. This algorithm automates user habits using data-driven functions trained on real-world data. This also includes an evaluation of the quantum enhanced kernel, that previously was only evaluated on artificial data. In our evaluation, we showed that the quantum-enhanced kernel performs at least equally well to a classical state-of-the-art kernel. We also showed a low reduction in accuracy and latency numbers within acceptable bounds when running on the gate-based IBM quantum accelerator. We, therefore, conclude it is feasible to integrate NISQ-era devices in industry-grade system architecture in preparation for future hardware improvements.
We propose a new approach for building recommender systems by adapting surrogate-assisted interactive genetic algorithms. A pool of user-evaluated items is used to construct an approximative model which serves as a surrogate fitness function in a genetic algorithm for optimizing new suggestions. The surrogate is used to recommend new items to the user, which are then evaluated according to the user's liking and subsequently removed from the search space. By updating the surrogate model after new recommendations have been evaluated by the user, we enable the model itself to evolve towards the user's preferences. In order to precisely evaluate the performance of that approach, the human's subjective evaluation is replaced by common continuous objective benchmark functions for evolutionary algorithms. The system's performance is compared to a conventional genetic algorithm and random search. We show that given a very limited amount of allowed evaluations on the true objective, our approach outperforms these baseline methods.
We propose Stable Yet Memory Bounded Open-Loop (SYMBOL) planning, a general memory bounded approach to partially observable open-loop planning. SYMBOL maintains an adaptive stack of Thompson Sampling bandits, whose size is bounded by the planning horizon and can be automatically adapted according to the underlying domain without any prior domain knowledge beyond a generative model. We empirically test SYMBOL in four large POMDP benchmark problems to demonstrate its effectiveness and robustness w.r.t. the choice of hyperparameters and evaluate its adaptive memory consumption. We also compare its performance with other open-loop planning algorithms and POMCP.
In nature, flocking or swarm behavior is observed in many species as it has beneficial properties like reducing the probability of being caught by a predator. In this paper, we propose SELFish (Swarm Emergent Learning Fish), an approach with multiple autonomous agents which can freely move in a continuous space with the objective to avoid being caught by a present predator. The predator has the property that it might get distracted by multiple possible preys in its vicinity. We show that this property in interaction with self-interested agents which are trained with reinforcement learning to solely survive as long as possible leads to flocking behavior similar to Boids, a common simulation for flocking behavior. Furthermore we present interesting insights in the swarming behavior and in the process of agents being caught in our modeled environment.
Thomas Gabor, Marie Kiermeier, Andreas Sedlmeier et al.
From formal and practical analysis, we identify new challenges that self-adaptive systems pose to the process of quality assurance. When tackling these, the effort spent on various tasks in the process of software engineering is naturally re-distributed. We claim that all steps related to testing need to become self-adaptive to match the capabilities of the self-adaptive system-under-test. Otherwise, the adaptive system's behavior might elude traditional variants of quality assurance. We thus propose the paradigm of scenario coevolution, which describes a pool of test cases and other constraints on system behavior that evolves in parallel to the (in part autonomous) development of behavior in the system-under-test. Scenario coevolution offers a simple structure for the organization of adaptive testing that allows for both human-controlled and autonomous intervention, supporting software engineering for adaptive systems on a procedural as well as technical level.
Decision making in multi-agent systems (MAS) is a great challenge due to enormous state and joint action spaces as well as uncertainty, making centralized control generally infeasible. Decentralized control offers better scalability and robustness but requires mechanisms to coordinate on joint tasks and to avoid conflicts. Common approaches to learn decentralized policies for cooperative MAS suffer from non-stationarity and lacking credit assignment, which can lead to unstable and uncoordinated behavior in complex environments. In this paper, we propose Strong Emergent Policy approximation (STEP), a scalable approach to learn strong decentralized policies for cooperative MAS with a distributed variant of policy iteration. For that, we use function approximation to learn from action recommendations of a decentralized multi-agent planning algorithm. STEP combines decentralized multi-agent planning with centralized learning, only requiring a generative model for distributed black box optimization. We experimentally evaluate STEP in two challenging and stochastic domains with large state and joint action spaces and show that STEP is able to learn stronger policies than standard multi-agent reinforcement learning algorithms, when combining multi-agent open-loop planning with centralized function approximation. The learned policies can be reintegrated into the multi-agent planning process to further improve performance.
Andreas Sedlmeier, Thomas Gabor, Thomy Phan et al.
We consider the problem of detecting out-of-distribution (OOD) samples in deep reinforcement learning. In a value based reinforcement learning setting, we propose to use uncertainty estimation techniques directly on the agent's value estimating neural network to detect OOD samples. The focus of our work lies in analyzing the suitability of approximate Bayesian inference methods and related ensembling techniques that generate uncertainty estimates. Although prior work has shown that dropout-based variational inference techniques and bootstrap-based approaches can be used to model epistemic uncertainty, the suitability for detecting OOD samples in deep reinforcement learning remains an open question. Our results show that uncertainty estimation can be used to differentiate in- from out-of-distribution samples. Over the complete training process of the reinforcement learning agents, bootstrap-based approaches tend to produce more reliable epistemic uncertainty estimates, when compared to dropout-based approaches.
We introduce Stacked Thompson Bandits (STB) for efficiently generating plans that are likely to satisfy a given bounded temporal logic requirement. STB uses a simulation for evaluation of plans, and takes a Bayesian approach to using the resulting information to guide its search. In particular, we show that stacking multiarmed bandits and using Thompson sampling to guide the action selection process for each bandit enables STB to generate plans that satisfy requirements with a high probability while only searching a fraction of the search space.
Machine learning enables systems to build and update domain models based on runtime observations. In this paper, we study statistical model checking and runtime verification for systems with this ability. Two challenges arise: (1) Models built from limited runtime data yield uncertainty to be dealt with. (2) There is no definition of satisfaction w.r.t. uncertain hypotheses. We propose such a definition of subjective satisfaction based on recently introduced satisfaction functions. We also propose the BV algorithm as a Bayesian solution to runtime verification of subjective satisfaction under model uncertainty. BV provides user-definable stochastic bounds for type I and II errors. We discuss empirical results from an example application to illustrate our ideas.