A new method designs batches for Bayesian optimization more efficiently.
problem Efficiently designing batches for Bayesian optimization to reduce total time.
method Minimal Terminal Variance (MTV) acquisition function, optimizing I-optimality criterion.
result MTV designs batches more efficiently than other methods, as shown by numerical experiments.
Adaptive batching improves Gaussian process surrogates for noisy level set estimation.
problem Learning the level set of noisy simulator responses.
method Developed four novel adaptive batching schemes for Gaussian process metamodels.
result Adaptive batching brings significant computational speed-ups with minimal loss of modeling fidelity.
Combines multi-fidelity and asynchronous batch methods for faster experimental design.
problem Designing optimal experimental setups for battery performance.
method Algorithm combining multi-fidelity and asynchronous batch Bayesian Optimization.
result Algorithm outperforms single-fidelity batch and multi-fidelity sequential methods.
This paper tackles batch Bayesian optimal experimental design by using Wasserstein gradient flows.
problem The challenge of optimising high-dimensional, strongly non-convex expected information gain in batch settings.
method Probabilistic lifting to the space of probability measures, entropic regularisation, Wasserstein gradient flow, and particle-based algorithms.
result The proposed approach can be used directly as a randomised batch-design policy or as a computational relaxation.
BLAE solves batched linear bandits with optimal regret and practical performance.
problem Batched linear bandit problem with limited adaptivity.
method Integrates arm elimination with regularized G-optimal design, achieving minimax optimal regret.
result Achieves minimax optimal regret in both large-K and small-K regimes with O(loglogT) batches. Proposes qPO, a new acquisition strategy for batched Bayesian optimization that maximizes the probability of including the optimum.
problem Efficiently identifying top-performing compounds from a large chemical library.
method qPO (multipoint Probability of Optimality) acquisition strategy that maximizes the probability of including the true optimum.
result Empirical evidence shows that qPO is competitive with and complements other state-of-the-art methods in batched Bayesian optimization.
We design a new algorithm for batch active learning with deep neural network models. Our algorithm, Batch Active learning by Diverse Gradient Embeddings (BADGE), samples groups of points that are disparate and high-magnitude when represented in a hallucinated gradient space, a strategy designed to incorporate both pred…
The design of multiple experiments is commonly undertaken via suboptimal strategies, such as batch (open-loop) design that omits feedback or greedy (myopic) design that does not account for future effects. This paper introduces new strategies for the optimal design of sequential experiments. First, we rigorously formul…
This work deals with parallel optimization of expensive objective functions which are modeled as sample realizations of Gaussian processes. The study is formalized as a Bayesian optimization problem, or continuous multi-armed bandit problem, where a batch of q > 0 arms is pulled in parallel at each iteration. Several a…
Study batch learning in linear bandits with context, achieving near-optimal performance.
problem Sequential batch learning in linear contextual bandits with finite actions.
method Established regret bounds and provided algorithms for two settings: arbitrary contexts and i.i.d. contexts.
result Regret upper bound nearly matches lower bound, showing polynomial and logarithmic batch requirements.
Generative models enhance BO for large batch optimization.
problem Efficiently sampling solutions in high-dimensional, combinatorial design spaces.
method Train generative models to sample solutions proportional to expected utility.
result Generative models can approximate optimal target distributions under certain conditions.
New study shows non-adaptive trials can be outperformed by adaptive designs in treatment selection.
problem Determining the best allocation of resources in clinical trials.
method Analysis of batched arm elimination designs and comparison with completely randomized trials.
result Simple adaptive designs universally and strictly dominate non-adaptive completely randomized trials for at least three treatment arms.
Adaptive batch size schedules improve language model training efficiency and generalization.
problem Dilemma of choosing batch sizes in large-scale model training.
method General-purpose adaptive batch size schedules compatible with data and model parallelism.
result Adaptive batch size schedules outperform constant batch sizes and heuristic warmup schedules.
Paper tackles robust batched bandits for heavy-tailed rewards.
problem Clinical trials and other applications with heavy-tailed rewards.
method Proposes robust batched bandit algorithms for heavy-tailed rewards in finite-arm and Lipschitz-continuous settings.
result Heavier-tailed rewards require fewer batches for near-optimal regret in the instance-independent regime and Lipschitz setting.
Mini-batch gradient descent based methods are the de facto algorithms for training neural network architectures today. We introduce a mini-batch selection strategy based on submodular function maximization. Our novel submodular formulation captures the informativeness of each sample and diversity of the whole subset. W…
In this work, we investigate Batch Normalization technique and propose its probabilistic interpretation. We propose a probabilistic model and show that Batch Normalization maximazes the lower bound of its marginalized log-likelihood. Then, according to the new probabilistic model, we design an algorithm which acts cons…
Study on adaptivity constraints in linear contextual bandits with optimal design.
problem Impact of adaptivity constraints on linear contextual bandits.
method Two models of limited adaptivity: batch learning and rare policy switches. Proposed distributional optimal design.
result Achieves minimax-optimal regret with optimal number of policy switches and batches.
Study mini-batch SGD noise and its limits, proving complexity guarantees.
problem Analyzing the noise in mini-batch SGD and its impact on optimization.
method Examined the conditional covariance and diffusion limits of SGD under different sampling designs.
result Proved mean-square upper bounds and Fisher van Trees lower bounds for SGD, linking them to effective dimension and condition number.
This work improves molecular design by efficiently selecting diverse candidate molecules.
problem Designing molecules that satisfy multiple conflicting objectives.
method A modular 'generate-then-optimize' framework using generative models and a novel acquisition function.
result Significant improvements in sample efficiency across synthetic and application-driven tasks.
Can one parallelize complex exploration exploitation tradeoffs? As an example, consider the problem of optimal high-throughput experimental design, where we wish to sequentially design batches of experiments in order to simultaneously learn a surrogate function mapping stimulus to response and identify the maximum of t…
Adaptive SGD learns optimal batch size for strong convex functions.
problem Finding optimal batch size for SGD in practice.
method Adaptive SGD method that learns optimal batch size.
result Adaptive SGD exhibits nearly optimal performance in experiments.
Improved stock return prediction model handles noise and non-stationarity.
problem Predicting stock returns with robustness to noise and non-stationarity.
method Extended AROW algorithm to handle synchronous mini-batch updates and applied it to stock return prediction.
result The new model outperforms classical approaches in backtesting on S\&P500 stocks.
Paper proposes a new method for efficient hyperparameter optimization.
problem Challenging task of optimizing hyperparameters in machine learning.
method Sequential Uniform Design (SeqUD) strategy for adaptive and efficient exploration of hyperparameter space.
result The proposed SeqUD strategy outperforms existing methods in hyperparameter optimization.
This paper explores the limits of large batch sizes in deep learning.
problem Understanding the optimal batch size for deep learning models.
method Detailed numerical optimization and experimental analysis of large batch sizes.
result Improvement of 18% top-1 test accuracy with an optimized batch size recipe.
P3BO optimizes biological sequence design by combining multiple methods.
problem Variability in performance of black-box optimization methods for biological sequence design.
method Population-Based Black-Box Optimization (P3BO) that samples sequences from an ensemble of methods, weighting by past performance.
result P3BO outperforms individual methods, proposing higher quality and more diverse sequences.
Opt-BBAI identifies the best arm with minimal batches and pulls, optimizing both sample and batch complexity.
problem Batched best arm identification (BBAI) problem, aiming to minimize policy switches and resource usage.
method Proposed Opt-BBAI algorithm, achieving near-optimal sample and batch complexity in non-asymptotic settings.
result First algorithm to achieve near-optimal sample and batch complexity in non-asymptotic settings.
Bayesian sOED uses PG reinforcement learning for efficient experiment design.
problem Optimizing sequential experiments for nonlinear models with limited data.
method Formulated as POMDP, solved via PG methods with neural network parameterization.
result Demonstrated advantages over batch and greedy designs in contaminant source inversion.
Finite-horizon sequential experimental design (SED) arises naturally in many contexts, including hyperparameter tuning in machine learning among more traditional settings. Computing the optimal policy for such problems requires solving Bellman equations, which are generally intractable. Most existing work resorts to se…
New algorithms tackle adversarial combinatorial bandits with switching costs.
problem Adversarial combinatorial bandits with switching costs.
method Design algorithms operating in batches to restrict switches, proving lower bounds and achieving upper bounds on regret.
result Achieved upper bounds on regret for both bandit and semi-bandit feedback settings.
New analysis reveals batch size effects on stochastic conditional gradient methods.
problem Understanding the role of batch size in stochastic conditional gradient methods.
method Deriving a new analysis focusing on momentum-based stochastic conditional gradient algorithms (e.g., Scion).
result Increasing batch size initially improves optimization accuracy but can degrade performance beyond a critical threshold.
This work uses RL to optimize batch experiments in SDOE.
problem Maximizing knowledge with limited resources and constraints.
method Reinforcement Learning for batch-sampling in Bayesian SDOE.
result The proposed algorithm optimizes experiment selection for multiple tasks.
New algorithm tackles batched stochastic linear bandits with 1-bit communication constraints.
problem Stochastic linear bandits with 1-bit communication constraints.
method Phased-elimination algorithms based on G-optimal designs and 1-bit mean estimation.
result Achieves near-optimal regret bounds for broad scaling regimes.
DARTS optimizes covariate selection in trials with limited data.
problem Limited budget for high-dimensional pretreatment data.
method Dynamic Adaptive Rerandomization via Thompson Sampling (DARTS).
result DARTS efficiently concentrates budget on informative features.
Batch Normalization (BN) is capable of accelerating the training of deep models by centering and scaling activations within mini-batches. In this work, we propose Decorrelated Batch Normalization (DBN), which not just centers and scales activations but whitens them. We explore multiple whitening techniques, and find th…
In this work we develop a new algorithm for regularized empirical risk minimization. Our method extends recent techniques of Shalev-Shwartz [02/2015], which enable a dual-free analysis of SDCA, to arbitrary mini-batching schemes. Moreover, our method is able to better utilize the information in the data defining the ER…
We propose a new batch mode active learning algorithm designed for neural networks and large query batch sizes. The method, Discriminative Active Learning (DAL), poses active learning as a binary classification task, attempting to choose examples to label in such a way as to make the labeled set and the unlabeled pool …
Algorithm achieves comparable performance to fully dynamic data with only a few batches.
problem High-dimensional multi-armed contextual bandits with batched feedback.
method Provable sample-efficient algorithm using batch allocation method.
result Achieves regret bounds comparable to fully sequential setting with only L = O(log T) batches.
Noise in SGD helps deep nets generalize better, even with smaller batch sizes.
problem The generalization benefit of using noise in SGD over large batch sizes.
method Carefully designed experiments and rigorous hyperparameter sweeps on various models.
result Small or moderately large batch sizes outperform very large batches on test sets.
Study uses Bayesian Optimization to analyze noise effects in materials research.
problem Optimizing materials with many variables and experimental noise.
method Batch Bayesian Optimization with synthetic data analysis.
result Noise sensitivity varies by problem landscape, impacting optimization outcomes.
AUC (Area under the ROC curve) is an important performance measure for applications where the data is highly imbalanced. Learning to maximize AUC performance is thus an important research problem. Using a max-margin based surrogate loss function, AUC optimization problem can be approximated as a pairwise rankSVM learni…
LSAM optimizes deep learning training with improved efficiency.
problem Inefficiency in distributed large-batch training with Sharpness-Aware Minimization (SAM).
method Integrates SAM's adversarial steps with an asynchronous distributed sampling strategy.
result Higher final accuracy compared to data-parallel SAM.
In many high-throughput experimental design settings, such as those common in biochemical engineering, batched queries are more cost effective than one-by-one sequential queries. Furthermore, it is often not possible to directly choose items to query. Instead, the experimenter specifies a set of constraints that genera…
A new framework scales active search for large datasets.
problem Scaling active search for large, high-dimensional data sets.
method Hierarchical Batch Bandit Search (HBBS) framework.
result HBBS improves performance and scalability for batch search.
Meta-algorithm for efficient reinforcement learning from human preferences.
problem Learning from human preference comparisons in Markov decision processes.
method Randomized exploration and experimental design for batch comparison queries.
result Meta-algorithm achieves both regret and last-iterate guarantees with minimal preference queries.
The accuracy of deep neural networks is significantly affected by how well mini-batches are constructed during the training step. In this paper, we propose a novel adaptive batch selection algorithm called Recency Bias that exploits the uncertain samples predicted inconsistently in recent iterations. The historical lab…
This paper addresses the problem of blind demixing of instantaneous mixtures in a multiple-input multiple-output communication system. The main objective is to present efficient blind source separation (BSS) algorithms dedicated to moderate or high-order QAM constellations. Four new iterative batch BSS algorithms are p…
Study model selection in batch policy optimization with three error sources.
problem Learn a policy competitive with the best model class in batch policy optimization.
method Formalized in contextual bandit setting with linear model classes, addressing approximation error, statistical complexity, and dataset shift.
result No algorithm can optimally trade-off all three error sources, but relaxing any one enables near-oracle inequalities for the others.
A new method reduces data movement in neural network training.
problem Large data movement during neural network training.
method Streaming batch principal component analysis for low-rank updates.
result Effective training of convolutional neural networks with low overhead.