Analog circuit design can be considered as an optimization problem with the targeted circuit specifications as constraints. When stringent circuit specifications are considered, it is desired to have an optimization methodology that adapts well to heavily constrained search spaces. To this end, we propose a novel Bayesian optimization algorithm with a tiered ensemble of acquisition functions and demonstrate its considerable application potential for analog circuit design automation. Our method is the first to introduce the concept of multiple dominance among acquisition functions, allowing the search for the optimal solutions to be effectively bounded \emph{within} the predicted set of feasible solutions in a constrained search space. This has resulted in a significant reduction in constraint violations by the candidate solutions, leading to better-optimized designs within tight computational budgets. The methodology is validated in gain and area optimization of a two-stage Miller compensated operational amplifier in a 65 nm technology. In comparison to robust baselines and state-of-the-art algorithms, this method reduces constraint violations by up to 38% and improves the target objective by up to 43%. The source code of our algorithm is made available at https://github.com/riarashid/TRACE.
Bayesian Optimization (BO) is a popular approach to optimizing expensive-to-evaluate black-box functions. Despite the success of BO, its performance may decrease exponentially as the dimensionality increases. A common framework to tackle this problem is to assume that the objective function depends on a limited set of features that lie on a low-dimensional manifold embedded in the high-dimensional ambient space. The latent space can be linear or more generally nonlinear. To learn feature mapping, existing works usually use an encode-decoder framework which is either computationally expensive or susceptible to overfittting when the labeled data is limited. This paper proposes a new approach for BO in high dimensions by exploiting a new representation of the objective function. Our approach combines a random linear projection to reduce the dimensionality, with a representation learning of the nonlinear manifold. When the geometry of the latent manifold is available, a solution to exploit this geometry is proposed for representation learning. In contrast, we use a neural network. To mitigate overfitting by using the neural network, we train the feature mapping in a geometry-aware semi-supervised manner. Our approach enables efficient optimizing of BO's acquisition function in the low-dimensional space, with the advantage of projecting back to the original high-dimensional space compared to existing works in the same setting. Finally, we show empirically that our algorithm outperforms other high-dimensional BO baselines in various synthetic functions and real applications.
The ability to autonomously explore and resolve tasks with minimal human guidance is crucial for the self-development of embodied intelligence. Although reinforcement learning methods can largely ease human effort, it's challenging to design reward functions for real-world tasks, especially for high-dimensional robotic control, due to complex relationships among joints and tasks. Recent advancements large language models (LLMs) enable automatic reward function design. However, approaches evaluate reward functions by re-training policies from scratch placing an undue burden on the reward function, expecting it to be effective throughout the whole policy improvement process. We argue for a more practical strategy in robotic autonomy, focusing on refining existing policies with policy-dependent reward functions rather than a universal one. To this end, we propose a novel reward-policy co-evolution framework where the reward function and the learned policy benefit from each other's progressive on-the-fly improvements, resulting in more efficient and higher-performing skill acquisition. Specifically, the reward evolution process translates the robot's previous best reward function, descriptions of tasks and environment into text inputs. These inputs are used to query LLMs to generate a dynamic amount of reward function candidates, ensuring continuous improvement at each round of evolution. For policy evolution, our method generates new policy populations by hybridizing historically optimal and random policies. Through an improved Bayesian optimization, our approach efficiently and robustly identifies the most capable and plastic reward-policy combination, which then proceeds to the next round of co-evolution. Despite using less data, our approach demonstrates an average normalized improvement of 95.3% across various high-dimensional robotic skill learning tasks.
When it comes to expensive black-box optimization problems, Bayesian Optimization (BO) is a well-known and powerful solution. Many real-world applications involve a large number of dimensions, hence scaling BO to high dimension is of much interest. However, state-of-the-art high-dimensional BO methods still suffer from the curse of dimensionality, highlighting the need for further improvements. In this work, we introduce BOIDS, a novel high-dimensional BO algorithm that guides optimization by a sequence of one-dimensional direction lines using a novel tailored line-based optimization procedure. To improve the efficiency, we also propose an adaptive selection technique to identify most optimal lines for each round of line-based optimization. Additionally, we incorporate a subspace embedding technique for better scaling to high-dimensional spaces. We further provide theoretical analysis of our proposed method to analyze its convergence property. Our extensive experimental results show that BOIDS outperforms state-of-the-art baselines on various synthetic and real-world benchmark problems.
In fishery science, harvest management of size-structured stochastic populations is a long-standing and difficult problem. Rectilinear precautionary policies based on biomass and harvesting reference points have now become a standard approach to this problem. While these standard feedback policies are adapted from analytical or dynamic programming solutions assuming relatively simple ecological dynamics, they are often applied to more complicated ecological settings in the real world. In this paper we explore the problem of designing harvest control rules for partially observed, age-structured, spasmodic fish populations using tools from reinforcement learning (RL) and Bayesian optimization. Our focus is on the case of Walleye fisheries in Alberta, Canada, whose highly variable recruitment dynamics have perplexed managers and ecologists. We optimized and evaluated policies using several complementary performance metrics. The main questions we addressed were: 1. How do standard policies based on reference points perform relative to numerically optimized policies? 2. Can an observation of mean fish weight, in addition to stock biomass, aid policy decisions?
With the continuous advancement of processors, modern micro-architecture designs have become increasingly complex. The vast design space presents significant challenges for human designers, making design space exploration (DSE) algorithms a significant tool for $\mu$-arch design. In recent years, efforts have been made in the development of DSE algorithms, and promising results have been achieved. However, the existing DSE algorithms, e.g., Bayesian Optimization and ensemble learning, suffer from poor interpretability, hindering designers' understanding of the decision-making process. To address this limitation, we propose utilizing Fuzzy Neural Networks to induce and summarize knowledge and insights from the DSE process, enhancing interpretability and controllability. Furthermore, to improve efficiency, we introduce a multi-fidelity reinforcement learning approach, which primarily conducts exploration using cheap but less precise data, thereby substantially diminishing the reliance on costly data. Experimental results show that our method achieves excellent results with a very limited sample budget and successfully surpasses the current state-of-the-art. Our DSE framework is open-sourced and available at https://github.com/fanhanwei/FNN\_MFRL\_ArchDSE/\ .
Real-world optimization problems often involve complex objective functions with costly evaluations. While Bayesian optimization (BO) with Gaussian processes is effective for these challenges, it suffers in high-dimensional spaces due to performance degradation from limited function evaluations. To overcome this, simplification techniques like dimensionality reduction have been employed, yet they often rely on assumptions about the problem characteristics, potentially underperforming when these assumptions do not hold. Trust-region-based methods, which avoid such assumptions, focus on local search but risk stagnation in local optima. In this study, we propose a novel acquisition function, regional expected improvement (REI), designed to enhance trust-region-based BO in medium to high-dimensional settings. REI identifies regions likely to contain the global optimum, improving performance without relying on specific problem characteristics. We provide a theoretical proof that REI effectively identifies optimal trust regions and empirically demonstrate that incorporating REI into trust-region-based BO outperforms conventional BO and other high-dimensional BO methods in medium to high-dimensional real-world problems.
We consider the problem of finite-horizon sequential experimental design to solve multi-objective optimization (MOO) of expensive black-box objective functions. This problem arises in many real-world applications, including materials design, where we have a small resource budget to make and evaluate candidate materials in the lab. We solve this problem using the framework of Bayesian optimization (BO) and propose the first set of non-myopic methods for MOO problems. Prior work on non-myopic BO for single-objective problems relies on the Bellman optimality principle to handle the lookahead reasoning process. However, this principle does not hold for most MOO problems because the reward function needs to satisfy some conditions: scalar variable, monotonicity, and additivity. We address this challenge by using hypervolume improvement (HVI) as our scalarization approach, which allows us to use a lower-bound on the Bellman equation to approximate the finite-horizon using a batch expected hypervolume improvement (EHVI) acquisition function (AF) for MOO. Our formulation naturally allows us to use other improvement-based scalarizations and compare their efficacy to HVI. We derive three non-myopic AFs for MOBO: 1) the Nested AF, which is based on the exact computation of the lower bound, 2) the Joint AF, which is a lower bound on the nested AF, and 3) the BINOM AF, which is a fast and approximate variant based on batch multi-objective acquisition functions. Our experiments on multiple diverse real-world MO problems demonstrate that our non-myopic AFs substantially improve performance over the existing myopic AFs for MOBO.
To build effective therapeutics, biologists iteratively mutate antibody sequences to improve binding and stability. Proposed mutations can be informed by previous measurements or by learning from large antibody databases to predict only typical antibodies. Unfortunately, the space of typical antibodies is enormous to search, and experiments often fail to find suitable antibodies on a budget. We introduce Clone-informed Bayesian Optimization (CloneBO), a Bayesian optimization procedure that efficiently optimizes antibodies in the lab by teaching a generative model how our immune system optimizes antibodies. Our immune system makes antibodies by iteratively evolving specific portions of their sequences to bind their target strongly and stably, resulting in a set of related, evolving sequences known as a clonal family. We train a large language model, CloneLM, on hundreds of thousands of clonal families and use it to design sequences with mutations that are most likely to optimize an antibody within the human immune system. We propose to guide our designs to fit previous measurements with a twisted sequential Monte Carlo procedure. We show that CloneBO optimizes antibodies substantially more efficiently than previous methods in realistic in silico experiments and designs stronger and more stable binders in in vitro wet lab experiments.
Learning-based solutions have enabled incredible capabilities for autonomous systems. Autonomous vehicles, both aerial and ground, rely on DNN for various integral tasks, including perception. The efficacy of supervised learning solutions hinges on the quality of the training data. Discrepancies between training data and operating conditions result in faults that can lead to catastrophic incidents. However, collecting vast amounts of context-sensitive data, with broad coverage of possible operating environments, is prohibitively difficult. Synthetic data generation techniques for DNN allow for the easy exploration of diverse scenarios. However, synthetic data generation solutions for aerial vehicles are still lacking. This work presents a data augmentation framework for aerial vehicle's perception training, leveraging photorealistic simulation integrated with high-fidelity vehicle dynamics. Safe landing is a crucial challenge in the development of autonomous air taxis, therefore, landing maneuver is chosen as the focus of this work. With repeated simulations of landing in varying scenarios we assess the landing performance of the VTOL type UAV and gather valuable data. The landing performance is used as the objective function to optimize the DNN through retraining. Given the high computational cost of DNN retraining, we incorporated Bayesian Optimization in our framework that systematically explores the data augmentation parameter space to retrain the best-performing models. The framework allowed us to identify high-performing data augmentation parameters that are consistently effective across different landing scenarios. Utilizing the capabilities of this data augmentation framework, we obtained a robust perception model. The model consistently improved the perception-based landing success rate by at least 20% under different lighting and weather conditions.
Bayesian optimization (BO) is a popular method for computationally expensive black-box optimization. However, traditional BO methods need to solve new problems from scratch, leading to slow convergence. Recent studies try to extend BO to a transfer learning setup to speed up the optimization, where search space transfer is one of the most promising approaches and has shown impressive performance on many tasks. However, existing search space transfer methods either lack an adaptive mechanism or are not flexible enough, making it difficult to efficiently identify promising search space during the optimization process. In this paper, we propose a search space transfer learning method based on Monte Carlo tree search (MCTS), called MCTS-transfer, to iteratively divide, select, and optimize in a learned subspace. MCTS-transfer can not only provide a well-performing search space for warm-start but also adaptively identify and leverage the information of similar source tasks to reconstruct the search space during the optimization process. Experiments on synthetic functions, real-world problems, Design-Bench and hyper-parameter optimization show that MCTS-transfer can demonstrate superior performance compared to other search space transfer methods under different settings. Our code is available at \url{https://github.com/lamda-bbo/mcts-transfer}.
Bayesian optimization is efficient even with a small amount of data and is used in engineering and in science, including biology and chemistry. In Bayesian optimization, a parameterized model with an uncertainty is fitted to explain the experimental data, and then the model suggests parameters that would most likely improve the results. Batch Bayesian optimization reduces the processing time of optimization by parallelizing experiments. However, batch Bayesian optimization cannot be applied if the number of parallelized experiments is limited by the cost or scarcity of equipment; in such cases, sequential methods require an unrealistic amount of time. In this study, we developed pipelining Bayesian optimization (PipeBO) to reduce the processing time of optimization even with a limited number of parallel experiments. PipeBO was inspired by the pipelining of central processing unit architecture, which divides computational tasks into multiple processes. PipeBO was designed to achieve experiment parallelization by overlapping various processes of the experiments. PipeBO uses the results of completed experiments to update the parameters of running parallelized experiments. Using the Black-Box Optimization Benchmarking, which consists of 24 benchmark functions, we compared PipeBO with the sequential Bayesian optimization methods. PipeBO reduced the average processing time of optimization to about 56% for the experiments that consisted of two processes or even less for those with more processes for 20 out of the 24 functions. Overall, PipeBO parallelizes Bayesian optimization in the resource-constrained settings so that efficient optimization can be achieved.
Bayesian optimization (BO) is a sequential approach for optimizing black-box objective functions using zeroth-order noisy observations. In BO, Gaussian processes (GPs) are employed as probabilistic surrogate models to estimate the objective function based on past observations, guiding the selection of future queries to maximize utility. However, the performance of BO heavily relies on the quality of these probabilistic estimates, which can deteriorate significantly under model misspecification. To address this issue, we introduce localized online conformal prediction-based Bayesian optimization (LOCBO), a BO algorithm that calibrates the GP model through localized online conformal prediction (CP). LOCBO corrects the GP likelihood based on predictive sets produced by LOCBO, and the corrected GP likelihood is then denoised to obtain a calibrated posterior distribution on the objective function. The likelihood calibration step leverages an input-dependent calibration threshold to tailor coverage guarantees to different regions of the input space. Under minimal noise assumptions, we provide theoretical performance guarantees for LOCBO's iterates that hold for the unobserved objective function. These theoretical findings are validated through experiments on synthetic and real-world optimization tasks, demonstrating that LOCBO consistently outperforms state-of-the-art BO algorithms in the presence of model misspecification.
Bayesian optimization (BO) methods based on information theory have obtained state-of-the-art results in several tasks. These techniques heavily rely on the Kullback-Leibler (KL) divergence to compute the acquisition function. In this work, we introduce a novel information-based class of acquisition functions for BO called Alpha Entropy Search (AES). AES is based on the {\alpha}-divergence, that generalizes the KL divergence. Iteratively, AES selects the next evaluation point as the one whose associated target value has the highest level of the dependency with respect to the location and associated value of the global maximum of the optimization problem. Dependency is measured in terms of the {\alpha}-divergence, as an alternative to the KL divergence. Intuitively, this favors the evaluation of the objective function at the most informative points about the global maximum. The {\alpha}-divergence has a free parameter {\alpha}, which determines the behavior of the divergence, trading-off evaluating differences between distributions at a single mode, and evaluating differences globally. Therefore, different values of {\alpha} result in different acquisition functions. AES acquisition lacks a closed-form expression. However, we propose an efficient and accurate approximation using a truncated Gaussian distribution. In practice, the value of {\alpha} can be chosen by the practitioner, but here we suggest to use a combination of acquisition functions obtained by simultaneously considering a range of values of {\alpha}. We provide an implementation of AES in BOTorch and we evaluate its performance in both synthetic, benchmark and real-world experiments involving the tuning of the hyper-parameters of a deep neural network. These experiments show that the performance of AES is competitive with respect to other information-based acquisition functions such as JES, MES or PES.
Extending Bayesian optimization to batch evaluation can enable the designer to make the most use of parallel computing technology. However, most of current batch approaches do not scale well with the batch size. That is, their performances deteriorate dramatically as the batch size increases. To address this issue, we propose a simple and efficient approach to extend Bayesian optimization to large-scale batch evaluation in this work. Different from existing batch approaches, the idea of the new approach is to draw a batch of axis-aligned subspaces of the original problem and select one acquisition point from each subspace. To achieve this, we propose the expected subspace improvement criterion to measure the amount of the improvement that a candidate point can achieve within a certain axis-aligned subspace. By optimizing these expected subspace improvement functions simultaneously, we can get a batch of query points for parallel evaluation. Numerical experiments show that our proposed approach can speedup the convergence significantly when compared with the sequential Bayesian optimization algorithm, and performs very competitively when compared with seven batch Bayesian optimization algorithms. A Matlab implementation of the proposed approach is available at https://github.com/zhandawei/Expected_Subspace_Improvement_Batch_Bayesian_Optimization.
The multivariate Gaussian distribution underpins myriad operations-research, decision-analytic, and machine-learning models (e.g., Bayesian optimization, Gaussian influence diagrams, and variational autoencoders). However, despite recent advances in adversarial machine learning (AML), inference for Gaussian models in the presence of an adversary is notably understudied. Therefore, we consider a self-interested attacker who wishes to disrupt a decisionmaker's conditional inference and subsequent actions by corrupting a set of evidentiary variables. To avoid detection, the attacker also desires the attack to appear plausible wherein plausibility is determined by the density of the corrupted evidence. We consider white- and grey-box settings such that the attacker has complete and incomplete knowledge about the decisionmaker's underlying multivariate Gaussian distribution, respectively. Select instances are shown to reduce to quadratic and stochastic quadratic programs, and structural properties are derived to inform solution methods. We assess the impact and efficacy of these attacks in three examples, including, real estate evaluation, interest rate estimation and signals processing. Each example leverages an alternative underlying model, thereby highlighting the attacks' broad applicability. Through these applications, we also juxtapose the behavior of the white- and grey-box attacks to understand how uncertainty and structure affect attacker behavior.
LLMs have shown impressive capabilities across various natural language processing tasks, yet remain vulnerable to input prompts, known as jailbreak attacks, carefully designed to bypass safety guardrails and elicit harmful responses. Traditional methods rely on manual heuristics but suffer from limited generalizability. Despite being automatic, optimization-based attacks often produce unnatural prompts that can be easily detected by safety filters or require high computational costs due to discrete token optimization. In this paper, we introduce Generative Adversarial Suffix Prompter (GASP), a novel automated framework that can efficiently generate human-readable jailbreak prompts in a fully black-box setting. In particular, GASP leverages latent Bayesian optimization to craft adversarial suffixes by efficiently exploring continuous latent embedding spaces, gradually optimizing the suffix prompter to improve attack efficacy while balancing prompt coherence via a targeted iterative refinement procedure. Through comprehensive experiments, we show that GASP can produce natural adversarial prompts, significantly improving jailbreak success over baselines, reducing training times, and accelerating inference speed, thus making it an efficient and scalable solution for red-teaming LLMs.
Traditional approaches for designing analog circuits are time-consuming and require significant human expertise. Existing automation efforts using methods like Bayesian Optimization (BO) and Reinforcement Learning (RL) are sub-optimal and costly to generalize across different topologies and technology nodes. In our work, we introduce a novel approach, LEDRO, utilizing Large Language Models (LLMs) in conjunction with optimization techniques to iteratively refine the design space for analog circuit sizing. LEDRO is highly generalizable compared to other RL and BO baselines, eliminating the need for design annotation or model training for different topologies or technology nodes. We conduct a comprehensive evaluation of our proposed framework and baseline on 22 different Op-Amp topologies across four FinFET technology nodes. Results demonstrate the superior performance of LEDRO as it outperforms our best baseline by an average of 13% FoM improvement with 2.15x speed-up on low complexity Op-Amps and 48% FoM improvement with 1.7x speed-up on high complexity Op-Amps. This highlights LEDRO's effective performance, efficiency, and generalizability.
Synchrotron radiation sources play a crucial role in fields such as materials science, biology, and chemistry. The beamline, a key subsystem of the synchrotron, modulates and directs the radiation to the sample for analysis. However, the alignment of beamlines is a complex and time-consuming process, primarily carried out manually by experienced engineers. Even minor misalignments in optical components can significantly affect the beam's properties, leading to suboptimal experimental outcomes. Current automated methods, such as bayesian optimization (BO) and reinforcement learning (RL), although these methods enhance performance, limitations remain. The relationship between the current and target beam properties, crucial for determining the adjustment, is not fully considered. Additionally, the physical characteristics of optical elements are overlooked, such as the need to adjust specific devices to control the output beam's spot size or position. This paper addresses the alignment of beamlines by modeling it as a Markov Decision Process (MDP) and training an intelligent agent using RL. The agent calculates adjustment values based on the current and target beam states, executes actions, and iterates until optimal parameters are achieved. A policy network with action attention is designed to improve decision-making by considering both state differences and the impact of optical components. Experiments on two simulated beamlines demonstrate that our algorithm outperforms existing methods, with ablation studies highlighting the effectiveness of the action attention-based policy network.
Bayesian optimization is a powerful method for optimizing black-box functions with limited function evaluations. Recent works have shown that optimization in a latent space through deep generative models such as variational autoencoders leads to effective and efficient Bayesian optimization for structured or discrete data. However, as the optimization does not take place in the input space, it leads to an inherent gap that results in potentially suboptimal solutions. To alleviate the discrepancy, we propose Correlated latent space Bayesian Optimization (CoBO), which focuses on learning correlated latent spaces characterized by a strong correlation between the distances in the latent space and the distances within the objective function. Specifically, our method introduces Lipschitz regularization, loss weighting, and trust region recoordination to minimize the inherent gap around the promising areas. We demonstrate the effectiveness of our approach on several optimization tasks in discrete data, such as molecule design and arithmetic expression fitting, and achieve high performance within a small budget.