A new method for incorporating preferences in multi-objective Bayesian optimization.
problem Incorporating preferences in computationally expensive multi-objective optimization problems.
method Building independent surrogate models on each objective function and using Generalised value distribution to approximate the scalarizing function.
result The proposed multi-surrogate approach outperforms the mono-surrogate approach on benchmark and real-world problems.
Gaussian surrogates improve Poisson imaging performance at low doses.
problem Improving Poisson imaging performance at low doses.
method Analysis of Poisson and Gaussian surrogate reconstruction objectives under Poisson noise.
result Gaussian surrogates can achieve MSE comparable to Poisson MAP at low doses.
The central task in modeling complex dynamical systems is parameter estimation. This task involves numerous evaluations of a computationally expensive objective function. Surrogate-based optimization introduces a computationally efficient predictive model that approximates the value of the objective function. The stand…
This paper investigates the control of an ML component within the Covariance Matrix Adaptation Evolution Strategy (CMA-ES) devoted to black-box optimization. The known CMA-ES weakness is its sample complexity, the number of evaluations of the objective function needed to approximate the global optimum. This weakness is…
Bayesian optimization (BO) methods often rely on the assumption that the objective function is well-behaved, but in practice, this is seldom true for real-world objectives even if noise-free observations can be collected. Common approaches, which try to model the objective as precisely as possible, often fail to make p…
Local surrogate explainers vary in objectives, leading to incomparable explanations.
problem Variability in objectives among local surrogate explainers.
method Review of multiple local surrogate explainers, focusing on extracted information.
result Diverse explanations from similar methods due to differing objectives.
A new sampling strategy improves reliability and robustness optimization for complex designs.
problem High sample requirements for optimizing reliability and robustness in complex designs.
method Local Latin Hypercube Refinement (LoLHR) for multi-objective design uncertainty optimization.
result LoLHR achieves better results compared to other surrogate-based strategies.
Area under ROC (AUC) is an important metric for binary classification and bipartite ranking problems. However, it is difficult to directly optimizing AUC as a learning objective, so most existing algorithms are based on optimizing a surrogate loss to AUC. One significant drawback of these surrogate losses is that they …
YAHPO Gym introduces a new benchmark for evaluating hyperparameter optimization methods.
problem Evaluating and comparing hyperparameter optimization methods on well-curated benchmark suites.
method Surrogate-based benchmark collection of 14 scenarios, each with multi-fidelity and multi-objective hyperparameter optimization problems.
result Surrogate-based benchmarks produce more faithful results than tabular benchmarks.
Novel CE-method variants reduce local minima convergence with fewer function evaluations.
problem Local minima and expensive function evaluations in optimization.
method Surrogate model-based CE-method variants to reduce local minima convergence.
result Surrogate model-based approach reduces local minima convergence using fewer function evaluations.
Proposes a simple algorithm to generate data similar to real series.
problem Generating data similar to real series with constraints.
method Random permutation of Monte Carlo generated numbers, accepted if objective function is minimized.
result Demonstrated by generating S\&P 500 log-returns.
Unified information-theoretic objectives for training deep neural networks.
problem Difficulty in computing information-theoretic quantities for large deep neural networks.
method Review and unify competing objectives, develop surrogate objectives.
result Surrogate objectives allow applying information bottleneck to modern neural network architectures.
A new framework reduces inconsistencies in chaotic surrogate modeling.
problem Consistency issues between probabilistic objectives and dynamical system dynamics.
method KAFFEE (Kalman-Aware Framework For Ergodic Emulation), a differentiable extended Kalman filter.
result KAFFEE mitigates the dynamic-probabilistic consistency gap, improving reconstruction and predictive scores.
Bayesian optimization uses BNNs as efficient surrogate models for expensive function evaluations.
problem Optimizing expensive objective functions using Gaussian process surrogates.
method Study of Bayesian neural networks (BNNs) as alternatives to standard Gaussian process (GP) surrogates for optimization.
result Infinite-width BNNs are particularly promising, especially in high dimensions.
Gradient-informed BNNs improve Bayesian optimization performance.
problem Improving Bayesian optimization with gradient information.
method Gradient-informed loss function for Bayesian neural networks.
result Gradient information enhances BNN predictions and BO convergence.
New method optimises learning via surrogate PAC-Bayes bounds.
problem Computational intractability of optimising generalisation bounds.
method Iteratively optimising surrogate training objectives derived from PAC-Bayes bounds.
result Iteratively optimising surrogates implies optimising original generalisation bounds.
We propose a novel objective function for learning robust deep representations of data based on information theory. Data is projected into a feature-vector space such that the mutual information of all subsets of features relative to the supervising signal is maximized. This objective function gives rise to robust repr…
BOAT optimizes multiple antibody properties efficiently.
problem Balancing multiple drug-like properties in antibody design.
method Bayesian optimization framework coupling surrogate modeling and genetic algorithm.
result Competitive performance with state-of-the-art multi-objective protein optimization methods.
SVH-PSL uses Stein Variational Gradient Descent and Hypernetworks to improve Pareto set learning for expensive MOO.
problem Fragmented surrogate models and pseudo-local optima in expensive multi-objective optimization problems.
method SVH-PSL integrates Stein Variational Gradient Descent (SVGD) with Hypernetworks to address fragmentation and pseudo-local optima.
result SVH-PSL significantly improves the quality of the learned Pareto set, offering a promising solution for expensive MOO.
TAMO optimizes multiple objectives in-context using transformers.
problem Balancing competing objectives in expensive, black-box problems.
method Fully amortized, transformer-based policy for multi-objective optimization.
result Significant speedup in proposal time with improved Pareto quality.
Paper develops algorithms for nonsmooth, nonconvex statistical learning problems.
problem Nonsmooth and nonconvex objectives in statistical learning.
method Bregman-surrogate algorithm framework, including local linear approximation, mirror descent, iterative thresholding, DC programming.
result Global convergence rates for nonconvex and nonsmooth objectives in high dimensions.
PPOS improves PPO by smoothing the surrogate objective function.
problem Performance instability and optimization inefficiency in PPO.
method Use of a functional clipping method instead of a flat clipping method.
result PPOS conducts more accurate updates and outperforms other PPO variants.
This paper develops efficient surrogate models for optimization of complex dynamical systems.
problem Computational expense in solving complex dynamical systems through numerical simulation.
method Combination of proper orthogonal decomposition and radial basis functions for constructing low-dimensional surrogate models.
result Surrogate models reduce computational time for optimization problems while maintaining accuracy.
PANIS learns PDE surrogates for heterogeneous materials without solving the PDE.
problem Learning surrogates for parametrized PDEs in heterogeneous media.
method Physics-aware neural implicit solvers combining probabilistic learning and physics-informed discretization.
result Learned surrogates for effective solutions in heterogeneous materials without solving the reference problem.
The conditional-mean barrier helps diagnose deterministic surrogates missing uncertainty.
problem Uncertainty in deterministic surrogates for complex systems.
method Developed diagnostics to locate the conditional-mean barrier and prove its necessity for distributional objectives.
result Crossing the barrier requires a loss that scores distributions, not point predictions.
Global optimization problems whose objective function is expensive to evaluate can be solved effectively by recursively fitting a surrogate function to function samples and minimizing an acquisition function to generate new samples. The acquisition step trades off between seeking for a new optimization vector where the…
Optimizes functions on manifolds using Gaussian processes and graph models.
problem Optimizing functions on unknown manifolds with limited data.
method Graph Gaussian process surrogate model for sequential optimization.
result Established regret bounds for the proposed algorithm.
Bayesian optimization on networks using Gaussian process models.
problem Optimizing expensive black-box functions on network structures.
method Developed Bayesian optimization algorithms with Gaussian process surrogates tailored to network geometry.
result Established regret bounds for smooth objective functions and analyzed practical cases.
TALBO optimizes latent spaces for evolving design objectives.
problem Temporal drift in design objectives.
method GP-prior variational autoencoder for time-varying latent space.
result Consistently outperforms LSBO baselines across varying drift speeds and objectives.
A new framework uses information theory to detect anomalies in images without labeled data.
problem Detect anomalies in images without labeled data.
method A direct objective function using information theory to maximize the distance between normal and anomalous data.
result The proposed framework significantly outperforms state-of-the-arts on multiple benchmark datasets.
New algorithm optimizes PAC-Bayes bound without surrogate loss.
problem Mismatch between optimisation objective and generalisation bound in stochastic neural networks.
method Proposes a novel training algorithm that optimizes the PAC-Bayesian bound directly.
result Empirical results show improved performance over existing PAC-Bayesian training methods.
This paper proposes a method for solving optimization problems in which the decision-maker cannot evaluate the objective function, but rather can only express a preference such as "this is better than that" between two candidate decision vectors. The algorithm described in this paper aims at reaching the global optimiz…
Improving predictive understanding of Earth system variability and change requires data-model integration. Efficient data-model integration for complex models requires surrogate modeling to reduce model evaluation time. However, building a surrogate of a large-scale Earth system model (ESM) with many output variables i…
Recent policy optimization approaches have achieved substantial empirical success by constructing surrogate optimization objectives. The Approximate Policy Iteration objective (Schulman et al., 2015a; Kakade and Langford, 2002) has become a standard optimization target for reinforcement learning problems. Using this ob…
Paper tackles federated learning with personalised bandit algorithms.
problem Optimizing local and global objectives in a heterogeneous environment.
method Surrogate objective function combining client preferences and global knowledge; phase-based elimination algorithm.
result Achieves sublinear regret with logarithmic communication overhead.
Improving in-context learning for latent space Bayesian optimization by adapting pretraining on molecular latent space.
problem Improving in-context learning for latent space Bayesian optimization.
method Adapting pretraining on molecular latent space.
result Achieving strong performance on held-out molecular optimization benchmarks.
Active learning is a type of sequential design for supervised machine learning, in which the learning algorithm sequentially requests the labels of selected instances from a large pool of unlabeled data points. The objective is to produce a classifier of relatively low risk, as measured under the 0-1 loss, ideally usin…
A new beta-VAE based regression model accelerates oilfield optimization studies.
problem Computational expense of full-physics reservoir simulations.
method beta-VAE for interpretable latent space representation, probabilistic dense layers for uncertainty quantification.
result Interpretable latent representation and quantified uncertainty for optimization decisions.
In this dissertation, we focus on several important problems in structured prediction. In structured prediction, the label has a rich intrinsic substructure, and the loss varies with respect to the predicted label and the true label pair. Structured SVM is an extension of binary SVM to adapt to such structured tasks. I…
This work studies how an AI-controlled dog-fighting agent with tunable decision-making parameters can learn to optimize performance against an intelligent adversary, as measured by a stochastic objective function evaluated on simulated combat engagements. Gaussian process Bayesian optimization (GPBO) techniques are dev…
This work tackles robust optimization with multiple objectives for structural design.
problem Optimizing structural design under uncertainty for multiple conflicting objectives.
method Adaptive surrogate modeling using Kriging to approximate computationally expensive models.
result The importance of replacing the heating system in building renovations is highlighted.
This paper proposes a mechanism to produce equivalent Lipschitz surrogates for zero-norm and rank optimization problems by means of the global exact penalty for their equivalent mathematical programs with an equilibrium constraint (MPECs). Specifically, we reformulate these combinatorial problems as equivalent MPECs by…
In this paper, we study optimization methods consisting of iteratively minimizing surrogates of an objective function. By proposing several algorithmic variants and simple convergence analyses, we make two main contributions. First, we provide a unified viewpoint for several first-order optimization techniques such as …
In this paper, we focus on developing efficient sensitivity analysis methods for a computationally expensive objective function f(x) in the case that the minimization of it has just been performed. Here "computationally expensive" means that each of its evaluation takes significant amount of time, and therefore our m…
MFNets constructs efficient multifidelity surrogates from diverse information sources.
problem Creating accurate surrogates from multiple, potentially costly or inaccurate data sources.
method Directed acyclic graph of connections, gradient-based minimization of least squares objective, flexible information source structure.
result Error reduction by orders-of-magnitude, especially in low-data scenarios.
This research analyzes the consistency of convex and nonconvex surrogate losses for adversarially robust classification.
problem Ensuring classifiers are robust to adversarial perturbations.
method Analysis of convex and nonconvex surrogate losses through the lens of calibration.
result No convex surrogate loss is calibrated with respect to the adversarial 0-1 loss for linear models, but nonconvex losses can be calibrated under certain conditions.
New scalarizing functions improve multi-objective Bayesian optimisation.
problem Improving multi-objective Bayesian optimisation efficiency.
method Comparing two infill criteria based on hypervolume improvement.
result Effective scalarizing functions enhance hypervolume maximisation.
A key drawback of the current generation of artificial decision-makers is that they do not adapt well to changes in unexpected situations. This paper addresses the situation in which an AI for aerial dog fighting, with tunable parameters that govern its behavior, will optimize behavior with respect to an objective func…