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Deploying Deep Learning (DL) on embedded end devices is a scorching trend in pervasive computing. Since most Microcontrollers on embedded devices have limited computing power, it is necessary to add a DL accelerator. Embedded Field Programmable Gate Arrays (FPGAs) are suitable for deploying DL accelerators for embedded devices, but developing an energy-efficient DL accelerator on an FPGA is not easy. Therefore, we propose the ElasticAI-Workflow that aims to help DL developers to create and deploy DL models as hardware accelerators on embedded FPGAs. This workflow consists of two key components: the ElasticAI-Creator and the Elastic Node. The former is a toolchain for automatically generating DL accelerators on FPGAs. The latter is a hardware platform for verifying the performance of the generated accelerators. With this combination, the performance of the accelerator can be sufficiently guaranteed. We will demonstrate the potential of our approach through a case study., Comment: The paper is accepted by 2023 IEEE International Conference on Pervasive Computing and Communications (Best Demo Award)

Recent advancements in IoT technologies have underscored the importance of using sensor data to understand environmental contexts effectively. This paper introduces a novel embedded system designed to autonomously label sensor data directly on IoT devices, thereby enhancing the efficiency of data collection methods. We present an integrated hardware and software solution equipped with specialized labeling sensors that streamline the capture and labeling of diverse types of sensor data. By implementing local processing with lightweight labeling methods, our system minimizes the need for extensive data transmission and reduces dependence on external resources. Experimental validation with collected data and a Convolutional Neural Network model achieved a high classification accuracy of up to 91.67%, as confirmed through 4-fold cross-validation. These results demonstrate the system's robust capability to collect audio and vibration data with correct labels., Comment: This paper is accepted by the 4th Workshop on Collaborative Technologies and Data Science in Smart City Applications (CODASSCA 2024)

This paper presents the design of a hardware accelerator for Transformers, optimized for on-device time-series forecasting in AIoT systems. It integrates integer-only quantization and Quantization-Aware Training with optimized hardware designs to realize 6-bit and 4-bit quantized Transformer models, which achieved precision comparable to 8-bit quantized models from related research. Utilizing a complete implementation on an embedded FPGA (Xilinx Spartan-7 XC7S15), we examine the feasibility of deploying Transformer models on embedded IoT devices. This includes a thorough analysis of achievable precision, resource utilization, timing, power, and energy consumption for on-device inference. Our results indicate that while sufficient performance can be attained, the optimization process is not trivial. For instance, reducing the quantization bitwidth does not consistently result in decreased latency or energy consumption, underscoring the necessity of systematically exploring various optimization combinations. Compared to an 8-bit quantized Transformer model in related studies, our 4-bit quantized Transformer model increases test loss by only 0.63%, operates up to 132.33x faster, and consumes 48.19x less energy., Comment: 7 pages, 3 figures, 4 tables. The paper was accepted by 2024 IEEE Annual Congress on Artificial Intelligence of Things (IEEE AIoT) and got best paper award

Executing flow estimation using Deep Learning (DL)-based soft sensors on resource-limited IoT devices has demonstrated promise in terms of reliability and energy efficiency. However, its application in the field of wastewater flow estimation remains underexplored due to: (1) a lack of available datasets, (2) inconvenient toolchains for on-device AI model development and deployment, and (3) hardware platforms designed for general DL purposes rather than being optimized for energy-efficient soft sensor applications. This study addresses these gaps by proposing an automated, end-to-end solution for wastewater flow estimation using a prototype IoT device., Comment: This paper is accepted by 2024 IEEE Annual Congress on Artificial Intelligence of Things (IEEE AIoT)

In the rapidly evolving Internet of Things (IoT) domain, we concentrate on enhancing energy efficiency in Deep Learning accelerators on FPGA-based heterogeneous platforms, aligning with the principles of sustainable computing. Instead of focusing on the inference phase, we introduce innovative optimizations to minimize the overhead of the FPGA configuration phase. By fine-tuning configuration parameters correctly, we achieved a 40.13-fold reduction in configuration energy. Moreover, augmented with power-saving methods, our Idle-Waiting strategy outperformed the traditional On-Off strategy in duty-cycle mode for request periods up to 499.06 ms. Specifically, at a 40 ms request period within a 4147 J energy budget, this strategy extends the system lifetime to approximately 12.39x that of the On-Off strategy. Empirically validated through hardware measurements and simulations, these optimizations provide valuable insights and practical methods for achieving energy-efficient and sustainable deployments in IoT., Comment: Accepted by 37th GI/ITG International Conference on Architecture of Computing Systems (ARCS 2024)

Evolutionary algorithms (EAs) have emerged as a predominant approach for addressing multi-objective optimization problems. However, the theoretical foundation of multi-objective EAs (MOEAs), particularly the fundamental aspects like running time analysis, remains largely underexplored. Existing theoretical studies mainly focus on basic MOEAs, with little attention given to practical MOEAs. In this paper, we present a running time analysis of strength Pareto evolutionary algorithm 2 (SPEA2) for the first time. Specifically, we prove that the expected running time of SPEA2 for solving three commonly used multi-objective problems, i.e., $m$OneMinMax, $m$LeadingOnesTrailingZeroes, and $m$-OneJumpZeroJump, is $O(\mu n\cdot \min\{m\log n, n\})$, $O(\mu n^2)$, and $O(\mu n^k \cdot \min\{mn, 3^{m/2}\})$, respectively. Here $m$ denotes the number of objectives, and the population size $\mu$ is required to be at least $(2n/m+1)^{m/2}$, $(2n/m+1)^{m-1}$ and $(2n/m-2k+3)^{m/2}$, respectively. The proofs are accomplished through general theorems which are also applicable for analyzing the expected running time of other MOEAs on these problems, and thus can be helpful for future theoretical analysis of MOEAs.

Subset selection with cost constraints aims to select a subset from a ground set to maximize a monotone objective function without exceeding a given budget, which has various applications such as influence maximization and maximum coverage. In real-world scenarios, the budget, representing available resources, may change over time, which requires that algorithms must adapt quickly to new budgets. However, in this dynamic environment, previous algorithms either lack theoretical guarantees or require a long running time. The state-of-the-art algorithm, POMC, is a Pareto optimization approach designed for static problems, lacking consideration for dynamic problems. In this paper, we propose BPODC, enhancing POMC with biased selection and warm-up strategies tailored for dynamic environments. We focus on the ability of BPODC to leverage existing computational results while adapting to budget changes. We prove that BPODC can maintain the best known $(\alpha_f/2)(1-e^{-\alpha_f})$-approximation guarantee when the budget changes. Experiments on influence maximization and maximum coverage show that BPODC adapts more effectively and rapidly to budget changes, with a running time that is less than that of the static greedy algorithm., Comment: This paper has appeared at PPSN'24

Network intrusion detection is one of the most important issues in the field of cyber security, and various machine learning techniques have been applied to build intrusion detection systems. However, since the number of features to describe the network connections is often large, where some features are redundant or noisy, feature selection is necessary in such scenarios, which can both improve the efficiency and accuracy. Recently, some researchers focus on using multi-objective evolutionary algorithms (MOEAs) to select features. But usually, they only consider the number of features and classification accuracy as the objectives, resulting in unsatisfactory performance on a critical metric, detection rate. This will lead to the missing of many real attacks and bring huge losses to the network system. In this paper, we propose DR-MOFS to model the feature selection problem in network intrusion detection as a three-objective optimization problem, where the number of features, accuracy and detection rate are optimized simultaneously, and use MOEAs to solve it. Experiments on two popular network intrusion detection datasets NSL-KDD and UNSW-NB15 show that in most cases the proposed method can outperform previous methods, i.e., lead to fewer features, higher accuracy and detection rate.

Peptide vaccines are growing in significance for fighting diverse diseases. Machine learning has improved the identification of peptides that can trigger immune responses, and the main challenge of peptide vaccine design now lies in selecting an effective subset of peptides due to the allelic diversity among individuals. Previous works mainly formulated this task as a constrained optimization problem, aiming to maximize the expected number of peptide-Major Histocompatibility Complex (peptide-MHC) bindings across a broad range of populations by selecting a subset of diverse peptides with limited size; and employed a greedy algorithm, whose performance, however, may be limited due to the greedy nature. In this paper, we propose a new framework PVD-EMO based on Evolutionary Multi-objective Optimization, which reformulates Peptide Vaccine Design as a bi-objective optimization problem that maximizes the expected number of peptide-MHC bindings and minimizes the number of selected peptides simultaneously, and employs a Multi-Objective Evolutionary Algorithm (MOEA) to solve it. We also incorporate warm-start and repair strategies into MOEAs to improve efficiency and performance. We prove that the warm-start strategy ensures that PVD-EMO maintains the same worst-case approximation guarantee as the previous greedy algorithm, and meanwhile, the EMO framework can help avoid local optima. Experiments on a peptide vaccine design for COVID-19, caused by the SARS-CoV-2 virus, demonstrate the superiority of PVD-EMO., Comment: This paper has appeared at IJCAI'24

Selective classification enables models to make predictions only when they are sufficiently confident, aiming to enhance safety and reliability, which is important in high-stakes scenarios. Previous methods mainly use deep neural networks and focus on modifying the architecture of classification layers to enable the model to estimate the confidence of its prediction. This work provides a generalization bound for selective classification, disclosing that optimizing feature layers helps improve the performance of selective classification. Inspired by this theory, we propose to explicitly improve the selective classification model at the feature level for the first time, leading to a novel Confidence-aware Contrastive Learning method for Selective Classification, CCL-SC, which similarizes the features of homogeneous instances and differentiates the features of heterogeneous instances, with the strength controlled by the model's confidence. The experimental results on typical datasets, i.e., CIFAR-10, CIFAR-100, CelebA, and ImageNet, show that CCL-SC achieves significantly lower selective risk than state-of-the-art methods, across almost all coverage degrees. Moreover, it can be combined with existing methods to bring further improvement., Comment: Accepted by ICML 2024

Quality-Diversity (QD) algorithms have emerged as a powerful optimization paradigm with the aim of generating a set of high-quality and diverse solutions. To achieve such a challenging goal, QD algorithms require maintaining a large archive and a large population in each iteration, which brings two main issues, sample and resource efficiency. Most advanced QD algorithms focus on improving the sample efficiency, while the resource efficiency is overlooked to some extent. Particularly, the resource overhead during the training process has not been touched yet, hindering the wider application of QD algorithms. In this paper, we highlight this important research question, i.e., how to efficiently train QD algorithms with limited resources, and propose a novel and effective method called RefQD to address it. RefQD decomposes a neural network into representation and decision parts, and shares the representation part with all decision parts in the archive to reduce the resource overhead. It also employs a series of strategies to address the mismatch issue between the old decision parts and the newly updated representation part. Experiments on different types of tasks from small to large resource consumption demonstrate the excellent performance of RefQD: it not only uses significantly fewer resources (e.g., 16\% GPU memories on QDax and 3.7\% on Atari) but also achieves comparable or better performance compared to sample-efficient QD algorithms. Our code is available at \url{https://github.com/lamda-bbo/RefQD}., Comment: ICML 2024

Offline optimization aims to maximize a black-box objective function with a static dataset and has wide applications. In addition to the objective function being black-box and expensive to evaluate, numerous complex real-world problems entail optimizing multiple conflicting objectives, i.e., multi-objective optimization (MOO). Nevertheless, offline MOO has not progressed as much as offline single-objective optimization (SOO), mainly due to the lack of benchmarks like Design-Bench for SOO. To bridge this gap, we propose a first benchmark for offline MOO, covering a range of problems from synthetic to real-world tasks. This benchmark provides tasks, datasets, and open-source examples, which can serve as a foundation for method comparisons and advancements in offline MOO. Furthermore, we analyze how the current related methods can be adapted to offline MOO from four fundamental perspectives, including data, model architecture, learning algorithm, and search algorithm. Empirical results show improvements over the best value of the training set, demonstrating the effectiveness of offline MOO methods. As no particular method stands out significantly, there is still an open challenge in further enhancing the effectiveness of offline MOO. We finally discuss future challenges for offline MOO, with the hope of shedding some light on this emerging field. Our code is available at \url{https://github.com/lamda-bbo/offline-moo}., Comment: ICML 2024

In the area of multi-objective evolutionary algorithms (MOEAs), there is a trend of using an archive to store non-dominated solutions generated during the search. This is because 1) MOEAs may easily end up with the final population containing inferior solutions that are dominated by other solutions discarded during the search process and 2) the population that has a commensurable size of the problem's Pareto front is often not practical. In this paper, we theoretically show, for the first time, that using an archive can guarantee speed-ups for MOEAs. Specifically, we prove that for two well-established MOEAs (NSGA-II and SMS-EMOA) on two commonly studied problems (OneMinMax and LeadingOnesTrailingZeroes), using an archive brings a polynomial acceleration on the expected running time. The reason is that with an archive, the size of the population can reduce to a small constant; there is no need for the population to keep all the Pareto optimal solutions found. This contrasts existing theoretical studies for MOEAs where a population with a commensurable size of the problem's Pareto front is needed. The findings in this paper not only provide a theoretical confirmation for an increasingly popular practice in the design of MOEAs, but can also be beneficial to the theory community towards studying more practical MOEAs.

In the real world, there exist a class of optimization problems that multiple (local) optimal solutions in the solution space correspond to a single point in the objective space. In this paper, we theoretically show that for such multimodal problems, a simple method that considers the diversity of solutions in the solution space can benefit the search in evolutionary algorithms (EAs). Specifically, we prove that the proposed method, working with crossover, can help enhance the exploration, leading to polynomial or even exponential acceleration on the expected running time. This result is derived by rigorous running time analysis in both single-objective and multi-objective scenarios, including $(\mu+1)$-GA solving the widely studied single-objective problem, Jump, and NSGA-II and SMS-EMOA (two well-established multi-objective EAs) solving the widely studied bi-objective problem, OneJumpZeroJump. Experiments are also conducted to validate the theoretical results. We hope that our results may encourage the exploration of diversity maintenance in the solution space for multi-objective optimization, where existing EAs usually only consider the diversity in the objective space and can easily be trapped in local optima., Comment: arXiv admin note: text overlap with arXiv:2406.02118

In industrial and environmental monitoring, achieving real-time and precise fluid flow measurement remains a critical challenge. This study applies linear quantization in FPGA-based soft sensors for fluid flow estimation, significantly enhancing Neural Network model precision by overcoming the limitations of traditional fixed-point quantization. Our approach achieves up to a 10.10% reduction in Mean Squared Error and a notable 9.39% improvement in inference speed through targeted hardware optimizations. Validated across multiple data sets, our findings demonstrate that the optimized FPGA-based quantized models can provide efficient, accurate real-time inference, offering a viable alternative to cloud-based processing in pervasive autonomous systems., Comment: 6 pages, 3 figures, The 22nd International Conference on Pervasive Computing and Communications (PerCom 2024), PerConAI Workshop

Placement is crucial in the physical design, as it greatly affects power, performance, and area metrics. Recent advancements in analytical methods, such as DREAMPlace, have demonstrated impressive performance in global placement. However, DREAMPlace has some limitations, e.g., may not guarantee legalizable placements under the same settings, leading to fragile and unpredictable results. This paper highlights the main issue as being stuck in local optima, and proposes a hybrid optimization framework to efficiently escape the local optima, by perturbing the placement result iteratively. The proposed framework achieves significant improvements compared to state-of-the-art methods on two popular benchmarks., Comment: Work-in-Progress (WIP) poster of DAC 2024

Black-Box Optimization (BBO) has found successful applications in many fields of science and engineering. Recently, there has been a growing interest in meta-learning particular components of BBO algorithms to speed up optimization and get rid of tedious hand-crafted heuristics. As an extension, learning the entire algorithm from data requires the least labor from experts and can provide the most flexibility. In this paper, we propose RIBBO, a method to reinforce-learn a BBO algorithm from offline data in an end-to-end fashion. RIBBO employs expressive sequence models to learn the optimization histories produced by multiple behavior algorithms and tasks, leveraging the in-context learning ability of large models to extract task information and make decisions accordingly. Central to our method is to augment the optimization histories with \textit{regret-to-go} tokens, which are designed to represent the performance of an algorithm based on cumulative regret over the future part of the histories. The integration of regret-to-go tokens enables RIBBO to automatically generate sequences of query points that satisfy the user-desired regret, which is verified by its universally good empirical performance on diverse problems, including BBO benchmark functions, hyper-parameter optimization and robot control problems.

Evolutionary neural architecture search (ENAS) employs evolutionary algorithms to find high-performing neural architectures automatically, and has achieved great success. However, compared to the empirical success, its rigorous theoretical analysis has yet to be touched. This work goes preliminary steps toward the mathematical runtime analysis of ENAS. In particular, we define a binary classification problem $\textsc{UNIFORM}$, and formulate an explicit fitness function to represent the relationship between neural architecture and classification accuracy. Furthermore, we consider (1+1)-ENAS algorithm with mutation to optimize the neural architecture, and obtain the following runtime bounds: both the local and global mutations find the optimum in an expected runtime of $\Theta(n)$, where $n$ is the problem size. The theoretical results show that the local and global mutations achieve nearly the same performance on $\textsc{UNIFORM}$. Empirical results also verify the equivalence of these two mutation operators.

Quality-Diversity (QD) algorithms are a new type of Evolutionary Algorithms (EAs), aiming to find a set of high-performing, yet diverse solutions. They have found many successful applications in reinforcement learning and robotics, helping improve the robustness in complex environments. Furthermore, they often empirically find a better overall solution than traditional search algorithms which explicitly search for a single highest-performing solution. However, their theoretical analysis is far behind, leaving many fundamental questions unexplored. In this paper, we try to shed some light on the optimization ability of QD algorithms via rigorous running time analysis. By comparing the popular QD algorithm MAP-Elites with $(\mu+1)$-EA (a typical EA focusing on finding better objective values only), we prove that on two NP-hard problem classes with wide applications, i.e., monotone approximately submodular maximization with a size constraint, and set cover, MAP-Elites can achieve the (asymptotically) optimal polynomial-time approximation ratio, while $(\mu+1)$-EA requires exponential expected time on some instances. This provides theoretical justification for that QD algorithms can be helpful for optimization, and discloses that the simultaneous search for high-performing solutions with diverse behaviors can provide stepping stones to good overall solutions and help avoid local optima., Comment: The conference version of this paper has appeared at IJCAI'24. This version contains all the proof details

Bayesian optimization (BO) is a sample-efficient method and has been widely used for optimizing expensive black-box functions. Recently, there has been a considerable interest in BO literature in optimizing functions that are affected by context variable in the environment, which is uncontrollable by decision makers. In this paper, we focus on the optimization of functions' expectations over continuous context variable, subject to an unknown distribution. To address this problem, we propose two algorithms that employ kernel density estimation to learn the probability density function (PDF) of continuous context variable online. The first algorithm is simpler, which directly optimizes the expectation under the estimated PDF. Considering that the estimated PDF may have high estimation error when the true distribution is complicated, we further propose the second algorithm that optimizes the distributionally robust objective. Theoretical results demonstrate that both algorithms have sub-linear Bayesian cumulative regret on the expectation objective. Furthermore, we conduct numerical experiments to empirically demonstrate the effectiveness of our algorithms., Comment: AAAI 2024 Accept

Soft sensors are crucial in bridging autonomous systems' physical and digital realms, enhancing sensor fusion and perception. Instead of deploying soft sensors on the Cloud, this study shift towards employing on-device soft sensors, promising heightened efficiency and bolstering data security. Our approach substantially improves energy efficiency by deploying Artificial Intelligence (AI) directly on devices within a wireless sensor network. Furthermore, the synergistic integration of the Microcontroller Unit and Field-Programmable Gate Array (FPGA) leverages the rapid AI inference capabilities of the latter. Empirical evidence from our real-world use case demonstrates that FPGA-based soft sensors achieve inference times ranging remarkably from 1.04 to 12.04 microseconds. These compelling results highlight the considerable potential of our innovative approach for executing real-time inference tasks efficiently, thereby presenting a feasible alternative that effectively addresses the latency challenges intrinsic to Cloud-based deployments., Comment: 8 pages, 6 figures, 1 Table, Accepted by the 1st AUTONOMOUS UBIQUITOUS SYSTEMS (AUTOQUITOUS) WORKSHOP of EAI MobiQuitous 2023 - 20th EAI International Conference on Mobile and Ubiquitous Systems: Computing, Networking and Services

Migration has been a universal phenomenon, which brings opportunities as well as challenges for global development. As the number of migrants (e.g., refugees) increases rapidly in recent years, a key challenge faced by each country is the problem of migrant resettlement. This problem has attracted scientific research attention, from the perspective of maximizing the employment rate. Previous works mainly formulated migrant resettlement as an approximately submodular optimization problem subject to multiple matroid constraints and employed the greedy algorithm, whose performance, however, may be limited due to its greedy nature. In this paper, we propose a new framework MR-EMO based on Evolutionary Multi-objective Optimization, which reformulates Migrant Resettlement as a bi-objective optimization problem that maximizes the expected number of employed migrants and minimizes the number of dispatched migrants simultaneously, and employs a Multi-Objective Evolutionary Algorithm (MOEA) to solve the bi-objective problem. We implement MR-EMO using three MOEAs, the popular NSGA-II, MOEA/D as well as the theoretically grounded GSEMO. To further improve the performance of MR-EMO, we propose a specific MOEA, called GSEMO-SR, using matrix-swap mutation and repair mechanism, which has a better ability to search for feasible solutions. We prove that MR-EMO using either GSEMO or GSEMO-SR can achieve better theoretical guarantees than the previous greedy algorithm. Experimental results under the interview and coordination migration models clearly show the superiority of MR-EMO (with either NSGA-II, MOEA/D, GSEMO or GSEMO-SR) over previous algorithms, and that using GSEMO-SR leads to the best performance of MR-EMO.

Evolutionary algorithms (EAs) are widely used for multi-objective optimization due to their population-based nature. Traditional multi-objective EAs (MOEAs) generate a large set of solutions to approximate the Pareto front, leaving a decision maker (DM) with the task of selecting a preferred solution. However, this process can be inefficient and time-consuming, especially when there are many objectives or the subjective preferences of DM is known. To address this issue, interactive MOEAs (iMOEAs) combine decision making into the optimization process, i.e., update the population with the help of the DM. In contrast to their wide applications, there has existed only two pieces of theoretical works on iMOEAs, which only considered interactive variants of the two simple single-objective algorithms, RLS and (1+1)-EA. This paper provides the first running time analysis (the essential theoretical aspect of EAs) for practical iMOEAs. Specifically, we prove that the expected running time of the well-developed interactive NSGA-II (called R-NSGA-II) for solving the OneMinMax and OneJumpZeroJump problems is $O(n \log n)$ and $O(n^k)$, respectively, which are all asymptotically faster than the traditional NSGA-II. Meanwhile, we present a variant of OneMinMax, and prove that R-NSGA-II can be exponentially slower than NSGA-II. These results provide theoretical justification for the effectiveness of iMOEAs while identifying situations where they may fail. Experiments are also conducted to validate the theoretical results.

Diversity plays a significant role in many problems, such as ensemble learning, reinforcement learning, and combinatorial optimization. How to define the diversity measure is a longstanding problem. Many methods rely on expert experience to define a proper behavior space and then obtain the diversity measure, which is, however, challenging in many scenarios. In this paper, we propose the problem of learning a behavior space from human feedback and present a general method called Diversity from Human Feedback (DivHF) to solve it. DivHF learns a behavior descriptor consistent with human preference by querying human feedback. The learned behavior descriptor can be combined with any distance measure to define a diversity measure. We demonstrate the effectiveness of DivHF by integrating it with the Quality-Diversity optimization algorithm MAP-Elites and conducting experiments on the QDax suite. The results show that DivHF learns a behavior space that aligns better with human requirements compared to direct data-driven approaches and leads to more diverse solutions under human preference. Our contributions include formulating the problem, proposing the DivHF method, and demonstrating its effectiveness through experiments.

To process sensor data in the Internet of Things(IoTs), embedded deep learning for 1-dimensional data is an important technique. In the past, CNNs were frequently used because they are simple to optimise for special embedded hardware such as FPGAs. This work proposes a novel LSTM cell optimisation aimed at energy-efficient inference on end devices. Using the traffic speed prediction as a case study, a vanilla LSTM model with the optimised LSTM cell achieves 17534 inferences per second while consuming only 3.8 $\mu$J per inference on the FPGA \textit{XC7S15} from \textit{Spartan-7} family. It achieves at least 5.4$\times$ faster throughput and 1.37$\times$ more energy efficient than existing approaches., Comment: 12 pages, 7 figures

This study explores the quantisation-aware training (QAT) on time series Transformer models. We propose a novel adaptive quantisation scheme that dynamically selects between symmetric and asymmetric schemes during the QAT phase. Our approach demonstrates that matching the quantisation scheme to the real data distribution can reduce computational overhead while maintaining acceptable precision. Moreover, our approach is robust when applied to real-world data and mixed-precision quantisation, where most objects are quantised to 4 bits. Our findings inform model quantisation and deployment decisions while providing a foundation for advancing quantisation techniques., Comment: 12 pages, 1 figure

A Lewis-mode group contribution method (LGC) -- multi-stage Bayesian neural network (msBNN) -- evolutionary algorithm (EA) framework is reported for rational design of D-Pi-A type organic small-molecule nonlinear optical materials is presented. Upon combination of msBNN and corrected Lewis-mode group contribution method (cLGC), different optical properties of molecules are afforded accurately and efficiently - by using only a small data set for training. Moreover, by employing the EA model designed specifically for LGC, structural search is well achievable. The logical origins of the well performance of the framework are discussed in detail. Considering that such a theory guided, machine learning framework combines chemical principles and data-driven tools, most likely, it will be proven efficient to solve molecular design related problems in wider fields.

Machine learning has been adapted to help solve NP-hard combinatorial optimization problems. One prevalent way is learning to construct solutions by deep neural networks, which has been receiving more and more attention due to the high efficiency and less requirement for expert knowledge. However, many neural construction methods for Vehicle Routing Problems~(VRPs) focus on synthetic problem instances with specified node distributions and limited scales, leading to poor performance on real-world problems which usually involve complex and unknown node distributions together with large scales. To make neural VRP solvers more practical, we design an auxiliary policy that learns from the local transferable topological features, named local policy, and integrate it with a typical construction policy (which learns from the global information of VRP instances) to form an ensemble policy. With joint training, the aggregated policies perform cooperatively and complementarily to boost generalization. The experimental results on two well-known benchmarks, TSPLIB and CVRPLIB, of travelling salesman problem and capacitated VRP show that the ensemble policy significantly improves both cross-distribution and cross-scale generalization performance, and even performs well on real-world problems with several thousand nodes., Comment: Accepted by IJCAI 2024

Submodular maximization arises in many applications, and has attracted a lot of research attentions from various areas such as artificial intelligence, finance and operations research. Previous studies mainly consider only one kind of constraint, while many real-world problems often involve several constraints. In this paper, we consider the problem of submodular maximization under the intersection of two commonly used constraints, i.e., $k$-matroid constraint and $m$-knapsack constraint, and propose a new algorithm SPROUT by incorporating partial enumeration into the simultaneous greedy framework. We prove that SPROUT can achieve a polynomial-time approximation guarantee better than the state-of-the-art algorithms. Then, we introduce the random enumeration and smooth techniques into SPROUT to improve its efficiency, resulting in the SPROUT++ algorithm, which can keep a similar approximation guarantee. Experiments on the applications of movie recommendation and weighted max-cut demonstrate the superiority of SPROUT++ in practice.

The development of very large-scale integration (VLSI) technology has posed new challenges for electronic design automation (EDA) techniques in chip floorplanning. During this process, macro placement is an important subproblem, which tries to determine the positions of all macros with the aim of minimizing half-perimeter wirelength (HPWL) and avoiding overlapping. Previous methods include packing-based, analytical and reinforcement learning methods. In this paper, we propose a new black-box optimization (BBO) framework (called WireMask-BBO) for macro placement, by using a wire-mask-guided greedy procedure for objective evaluation. Equipped with different BBO algorithms, WireMask-BBO empirically achieves significant improvements over previous methods, i.e., achieves significantly shorter HPWL by using much less time. Furthermore, it can fine-tune existing placements by treating them as initial solutions, which can bring up to 50% improvement in HPWL. WireMask-BBO has the potential to significantly improve the quality and efficiency of chip floorplanning, which makes it appealing to researchers and practitioners in EDA and will also promote the application of BBO. Our code is available at https://github.com/lamda-bbo/WireMask-BBO., Comment: Update NeurIPS'23 camera ready version

Evolutionary algorithms (EAs) have been widely and successfully applied to solve multi-objective optimization problems, due to their nature of population-based search. Population update, a key component in multi-objective EAs (MOEAs), is usually performed in a greedy, deterministic manner. That is, the next-generation population is formed by selecting the best solutions from the current population and newly-generated solutions (irrespective of the selection criteria used such as Pareto dominance, crowdedness and indicators). In this paper, we question this practice. We analytically present that stochastic population update can be beneficial for the search of MOEAs. Specifically, we prove that the expected running time of two well-established MOEAs, SMS-EMOA and NSGA-II, for solving two bi-objective problems, OneJumpZeroJump and bi-objective RealRoyalRoad, can be exponentially decreased if replacing its deterministic population update mechanism by a stochastic one. Empirical studies also verify the effectiveness of the proposed population update method. This work is an attempt to challenge a common practice in the design of existing MOEAs. Its positive results, which might hold more generally, should encourage the exploration of developing new MOEAs in the area.

In cooperative multi-agent reinforcement learning (MARL), where an agent coordinates with teammate(s) for a shared goal, it may sustain non-stationary caused by the policy change of teammates. Prior works mainly concentrate on the policy change during the training phase or teammates altering cross episodes, ignoring the fact that teammates may suffer from policy change suddenly within an episode, which might lead to miscoordination and poor performance as a result. We formulate the problem as an open Dec-POMDP, where we control some agents to coordinate with uncontrolled teammates, whose policies could be changed within one episode. Then we develop a new framework, fast teammates adaptation (Fastap), to address the problem. Concretely, we first train versatile teammates' policies and assign them to different clusters via the Chinese Restaurant Process (CRP). Then, we train the controlled agent(s) to coordinate with the sampled uncontrolled teammates by capturing their identifications as context for fast adaptation. Finally, each agent applies its local information to anticipate the teammates' context for decision-making accordingly. This process proceeds alternately, leading to a robust policy that can adapt to any teammates during the decentralized execution phase. We show in multiple multi-agent benchmarks that Fastap can achieve superior performance than multiple baselines in stationary and non-stationary scenarios., Comment: In: Proceedings of the 39th Conference on Uncertainty in Artificial Intelligence (UAI'23), Pittsburgh, PA, 2023

Cooperative multi-agent reinforcement learning (CMARL) has shown to be promising for many real-world applications. Previous works mainly focus on improving coordination ability via solving MARL-specific challenges (e.g., non-stationarity, credit assignment, scalability), but ignore the policy perturbation issue when testing in a different environment. This issue hasn't been considered in problem formulation or efficient algorithm design. To address this issue, we firstly model the problem as a limited policy adversary Dec-POMDP (LPA-Dec-POMDP), where some coordinators from a team might accidentally and unpredictably encounter a limited number of malicious action attacks, but the regular coordinators still strive for the intended goal. Then, we propose Robust Multi-Agent Coordination via Evolutionary Generation of Auxiliary Adversarial Attackers (ROMANCE), which enables the trained policy to encounter diversified and strong auxiliary adversarial attacks during training, thus achieving high robustness under various policy perturbations. Concretely, to avoid the ego-system overfitting to a specific attacker, we maintain a set of attackers, which is optimized to guarantee the attackers high attacking quality and behavior diversity. The goal of quality is to minimize the ego-system coordination effect, and a novel diversity regularizer based on sparse action is applied to diversify the behaviors among attackers. The ego-system is then paired with a population of attackers selected from the maintained attacker set, and alternately trained against the constantly evolving attackers. Extensive experiments on multiple scenarios from SMAC indicate our ROMANCE provides comparable or better robustness and generalization ability than other baselines., Comment: In: Proceedings of the 37th AAAI Conference on Artificial Intelligence (AAAI'23), 2023

Submodular functions play a key role in the area of optimization as they allow to model many real-world problems that face diminishing returns. Evolutionary algorithms have been shown to obtain strong theoretical performance guarantees for a wide class of submodular problems under various types of constraints while clearly outperforming standard greedy approximation algorithms. This paper introduces a setup for benchmarking algorithms for submodular optimization problems with the aim to provide researchers with a framework to enhance and compare the performance of new algorithms for submodular problems. The focus is on the development of iterative search algorithms such as evolutionary algorithms with the implementation provided and integrated into IOHprofiler which allows for tracking and comparing the progress and performance of iterative search algorithms. We present a range of submodular optimization problems that have been integrated into IOHprofiler and show how the setup can be used for analyzing and comparing iterative search algorithms in various settings.

Clustering is a fundamental problem in many areas, which aims to partition a given data set into groups based on some distance measure, such that the data points in the same group are similar while that in different groups are dissimilar. Due to its importance and NP-hardness, a lot of methods have been proposed, among which evolutionary algorithms are a class of popular ones. Evolutionary clustering has found many successful applications, but all the results are empirical, lacking theoretical support. This paper fills this gap by proving that the approximation performance of the GSEMO (a simple multi-objective evolutionary algorithm) for solving four formulations of clustering, i.e., $k$-tMM, $k$-center, discrete $k$-median and $k$-means, can be theoretically guaranteed. Furthermore, we consider clustering under fairness, which tries to avoid algorithmic bias, and has recently been an important research topic in machine learning. We prove that for discrete $k$-median clustering under individual fairness, the approximation performance of the GSEMO can be theoretically guaranteed with respect to both the objective function and the fairness constraint., Comment: 16 pages

Let $G$ be a compact connected subgroup of $SO(n+1)$. In $\mathbb{R}^{n+1}$, we gain interior $G$-symmetry for minimal hypersurfaces and hypersurfaces of constant mean curvature (CMC) which have $G$-invariant boundaries and $G$-invariant contact angles along boundaries. The main ingredients of the proof are to build an associated Cauchy problem based on infinitesimal Lie group actions, and to apply Morrey's regularity theory and the Cauchy-Kovalevskaya Theorem. Moreover, we also investigate the same kind of symmetry inheritance from boundaries for hypersurfaces of constant higher order mean curvature and Helfrich-type hypersurfaces in $\mathbb{R}^{n+1}$., Comment: 25 pages, 8 figures; Revised, results unchanged

Automated algorithm configuration relieves users from tedious, trial-and-error tuning tasks. A popular algorithm configuration tuning paradigm is dynamic algorithm configuration (DAC), in which an agent learns dynamic configuration policies across instances by reinforcement learning (RL). However, in many complex algorithms, there may exist different types of configuration hyperparameters, and such heterogeneity may bring difficulties for classic DAC which uses a single-agent RL policy. In this paper, we aim to address this issue and propose multi-agent DAC (MA-DAC), with one agent working for one type of configuration hyperparameter. MA-DAC formulates the dynamic configuration of a complex algorithm with multiple types of hyperparameters as a contextual multi-agent Markov decision process and solves it by a cooperative multi-agent RL (MARL) algorithm. To instantiate, we apply MA-DAC to a well-known optimization algorithm for multi-objective optimization problems. Experimental results show the effectiveness of MA-DAC in not only achieving superior performance compared with other configuration tuning approaches based on heuristic rules, multi-armed bandits, and single-agent RL, but also being capable of generalizing to different problem classes. Furthermore, we release the environments in this paper as a benchmark for testing MARL algorithms, with the hope of facilitating the application of MARL., Comment: NeurIPS 2022 Accept

Evolutionary computation-based neural architecture search (ENAS) is a popular technique for automating architecture design of deep neural networks. Despite its groundbreaking applications, there is no theoretical study for ENAS. The expected hitting time (EHT) is one of the most important theoretical issues, since it implies the average computational time complexity. This paper proposes a general method by integrating theory and experiment for estimating the EHT of ENAS algorithms, which includes common configuration, search space partition, transition probability estimation, population distribution fitting, and hitting time analysis. By exploiting the proposed method, we consider the ($\lambda$+$\lambda$)-ENAS algorithms with different mutation operators and estimate the lower bounds of the EHT. Furthermore, we study the EHT on the NAS-Bench-101 problem, and the results demonstrate the validity of the proposed method. To the best of our knowledge, this work is the first attempt to establish a theoretical foundation for ENAS algorithms., Comment: This work has been submitted to the IEEE for possible publication. Copyright may be transferred without notice, after which this version may no longer be accessible

Bayesian optimization (BO) is a class of popular methods for expensive black-box optimization, and has been widely applied to many scenarios. However, BO suffers from the curse of dimensionality, and scaling it to high-dimensional problems is still a challenge. In this paper, we propose a variable selection method MCTS-VS based on Monte Carlo tree search (MCTS), to iteratively select and optimize a subset of variables. That is, MCTS-VS constructs a low-dimensional subspace via MCTS and optimizes in the subspace with any BO algorithm. We give a theoretical analysis of the general variable selection method to reveal how it can work. Experiments on high-dimensional synthetic functions and real-world problems (i.e., NAS-bench problems and MuJoCo locomotion tasks) show that MCTS-VS equipped with a proper BO optimizer can achieve state-of-the-art performance., Comment: NeurIPS 2022 accept

Generating agents that can achieve zero-shot coordination (ZSC) with unseen partners is a new challenge in cooperative multi-agent reinforcement learning (MARL). Recently, some studies have made progress in ZSC by exposing the agents to diverse partners during the training process. They usually involve self-play when training the partners, implicitly assuming that the tasks are homogeneous. However, many real-world tasks are heterogeneous, and hence previous methods may be inefficient. In this paper, we study the heterogeneous ZSC problem for the first time and propose a general method based on coevolution, which coevolves two populations of agents and partners through three sub-processes: pairing, updating and selection. Experimental results on various heterogeneous tasks highlight the necessity of considering the heterogeneous setting and demonstrate that our proposed method is a promising solution for heterogeneous ZSC tasks.

Subset selection, which aims to select a subset from a ground set to maximize some objective function, arises in various applications such as influence maximization and sensor placement. In real-world scenarios, however, one often needs to find a subset which is robust against (i.e., is good over) a number of possible objective functions due to uncertainty, resulting in the problem of robust subset selection. This paper considers robust subset selection with monotone objective functions, relaxing the submodular property required by previous studies. We first show that the greedy algorithm can obtain an approximation ratio of $1-e^{-\beta\gamma}$, where $\beta$ and $\gamma$ are the correlation and submodularity ratios of the objective functions, respectively; and then propose EPORSS, an evolutionary Pareto optimization algorithm that can utilize more time to find better subsets. We prove that EPORSS can also be theoretically grounded, achieving a similar approximation guarantee to the greedy algorithm. In addition, we derive the lower bound of $\beta$ for the application of robust influence maximization, and further conduct experiments to validate the performance of the greedy algorithm and EPORSS.

Neural network pruning is a popular model compression method which can significantly reduce the computing cost with negligible loss of accuracy. Recently, filters are often pruned directly by designing proper criteria or using auxiliary modules to measure their importance, which, however, requires expertise and trial-and-error. Due to the advantage of automation, pruning by evolutionary algorithms (EAs) has attracted much attention, but the performance is limited for deep neural networks as the search space can be quite large. In this paper, we propose a new filter pruning algorithm CCEP by cooperative coevolution, which prunes the filters in each layer by EAs separately. That is, CCEP reduces the pruning space by a divide-and-conquer strategy. The experiments show that CCEP can achieve a competitive performance with the state-of-the-art pruning methods, e.g., prune ResNet56 for $63.42\%$ FLOPs on CIFAR10 with $-0.24\%$ accuracy drop, and ResNet50 for $44.56\%$ FLOPs on ImageNet with $0.07\%$ accuracy drop.