Decoding strategies play a pivotal role in text generation for modern language models, yet a puzzling gap divides theory and practice. Surprisingly, strategies that should intuitively be optimal, such as Maximum a Posteriori (MAP), often perform poorly in practice. Meanwhile, popular heuristic approaches like Top-$k$ and Nucleus sampling, which employ truncation and normalization of the conditional next-token probabilities, have achieved great empirical success but lack theoretical justifications. In this paper, we propose Decoding Game, a comprehensive theoretical framework which reimagines text generation as a two-player zero-sum game between Strategist, who seeks to produce text credible in the true distribution, and Nature, who distorts the true distribution adversarially. After discussing the decomposibility of multi-step generation, we derive the optimal strategy in closed form for one-step Decoding Game. It is shown that the adversarial Nature imposes an implicit regularization on likelihood maximization, and truncation-normalization methods are first-order approximations to the optimal strategy under this regularization. Additionally, by generalizing the objective and parameters of Decoding Game, near-optimal strategies encompass diverse methods such as greedy search, temperature scaling, and hybrids thereof. Numerical experiments are conducted to complement our theoretical analysis.

Heuristic optimisation algorithms explore the search space by sampling solutions, evaluating their fitness, and biasing the search in the direction of promising solutions. However, in many cases, this fitness function involves executing expensive computational calculations, drastically reducing the reasonable number of evaluations. In this context, surrogate models have emerged as an excellent alternative to alleviate these computational problems. This paper addresses the formulation of surrogate problems as both regression models that approximate fitness (surface surrogate models) and a novel way to connect classification models (pairwise surrogate models). The pairwise approach can be directly exploited by some algorithms, such as Differential Evolution, in which the fitness value is not actually needed to drive the search, and it is sufficient to know whether a solution is better than another one or not. Based on these modelling approaches, we have conducted a multidimensional analysis of surrogate models under different configurations: different machine learning algorithms (regularised regression, neural networks, decision trees, boosting methods, and random forests), different surrogate strategies (encouraging diversity or relaxing prediction thresholds), and compare them for both surface and pairwise surrogate models. The experimental part of the article includes the benchmark problems already proposed for the SOCO2011 competition in continuous optimisation and a simulation problem included in the recent GECCO2021 Industrial Challenge. This paper shows that the performance of the overall search, when using online machine learning-based surrogate models, depends not only on the accuracy of the predictive model but also on both the kind of bias towards positive or negative cases and how the optimisation uses those predictions to decide whether to execute the actual fitness function.

In the last few years, the formulation of real-world optimization problems and their efficient solution via metaheuristic algorithms has been a catalyst for a myriad of research studies. In spite of decades of historical advancements on the design and use of metaheuristics, large difficulties still remain in regards to the understandability, algorithmic design uprightness, and performance verifiability of new technical achievements. A clear example stems from the scarce replicability of works dealing with metaheuristics used for optimization, which is often infeasible due to ambiguity and lack of detail in the presentation of the methods to be reproduced. Additionally, in many cases, there is a questionable statistical significance of their reported results. This work aims at providing the audience with a proposal of good practices which should be embraced when conducting studies about metaheuristics methods used for optimization in order to provide scientific rigor, value and transparency. To this end, we introduce a step by step methodology covering every research phase that should be followed when addressing this scientific field. Specifically, frequently overlooked yet crucial aspects and useful recommendations will be discussed in regards to the formulation of the problem, solution encoding, implementation of search operators, evaluation metrics, design of experiments, and considerations for real-world performance, among others. Finally, we will outline important considerations, challenges, and research directions for the success of newly developed optimization metaheuristics in their deployment and operation over real-world application environments.

Bio-inspired optimization (including Evolutionary Computation and Swarm Intelligence) is a growing research topic with many competitive bio-inspired algorithms being proposed every year. In such an active area, preparing a successful proposal of a new bio-inspired algorithm is not an easy task. Given the maturity of this research field, proposing a new optimization technique with innovative elements is no longer enough. Apart from the novelty, results reported by the authors should be proven to achieve a significant advance over previous outcomes from the state of the art. Unfortunately, not all new proposals deal with this requirement properly. Some of them fail to select appropriate benchmarks or reference algorithms to compare with. In other cases, the validation process carried out is not defined in a principled way (or is even not done at all). Consequently, the significance of the results presented in such studies cannot be guaranteed. In this work we review several recommendations in the literature and propose methodological guidelines to prepare a successful proposal, taking all these issues into account. We expect these guidelines to be useful not only for authors, but also for reviewers and editors along their assessment of new contributions to the field.

A common challenge in aggregating data from multiple sources can be formalized as an \textit{Optimal Transport} (OT) barycenter problem, which seeks to compute the average of probability distributions with respect to OT discrepancies. However, the presence of outliers and noise in the data measures can significantly hinder the performance of traditional statistical methods for estimating OT barycenters. To address this issue, we propose a novel, scalable approach for estimating the \textit{robust} continuous barycenter, leveraging the dual formulation of the \textit{(semi-)unbalanced} OT problem. To the best of our knowledge, this paper is the first attempt to develop an algorithm for robust barycenters under the continuous distribution setup. Our method is framed as a $\min$-$\max$ optimization problem and is adaptable to \textit{general} cost function. We rigorously establish the theoretical underpinnings of the proposed method and demonstrate its robustness to outliers and class imbalance through a number of illustrative experiments.

Differential privacy (DP) offers a robust framework for safeguarding individual data privacy. To utilize DP in training modern machine learning models, differentially private optimizers have been widely used in recent years. A popular approach to privatize an optimizer is to clip the individual gradients and add sufficiently large noise to the clipped gradient. This approach led to the development of DP optimizers that have comparable performance with their non-private counterparts in fine-tuning tasks or in tasks with a small number of training parameters. However, a significant performance drop is observed when these optimizers are applied to large-scale training. This degradation stems from the substantial noise injection required to maintain DP, which disrupts the optimizer's dynamics. This paper introduces DiSK, a novel framework designed to significantly enhance the performance of DP optimizers. DiSK employs Kalman filtering, a technique drawn from control and signal processing, to effectively denoise privatized gradients and generate progressively refined gradient estimations. To ensure practicality for large-scale training, we simplify the Kalman filtering process, minimizing its memory and computational demands. We establish theoretical privacy-utility trade-off guarantees for DiSK, and demonstrate provable improvements over standard DP optimizers like DPSGD in terms of iteration complexity upper-bound. Extensive experiments across diverse tasks, including vision tasks such as CIFAR-100 and ImageNet-1k and language fine-tuning tasks such as GLUE, E2E, and DART, validate the effectiveness of DiSK. The results showcase its ability to significantly improve the performance of DP optimizers, surpassing state-of-the-art results under the same privacy constraints on several benchmarks.

We introduce TrustVI, a fast second-order algorithm for black-box variational inference based on trust-region optimization and the "reparameterization trick." At each iteration, TrustVI proposes and assesses a step based on minibatches of draws from the variational distribution.

Neural Information Processing Systems http://nips.cc/

Computing partition function is the most important statistical inference task arising in applications of Graphical Models (GM). Since it is computationally intractable, approximate methods have been used in practice, where mean-field (MF) and belief propagation (BP) are arguably the most popular and successful approaches of a variational type. In this paper, we propose two new variational schemes, coined Gauged-MF (G-MF) and Gauged-BP (G-BP), improving MF and BP, respectively. Both provide lower bounds for the partition function by utilizing the so-called gauge transformation which modifies factors of GM while keeping the partition function invariant. Moreover, we prove that both G-MF and G-BP are exact for GMs with a single loop of a special structure, even though the bare MF and BP perform badly in this case. Our extensive experiments indeed confirm that the proposed algorithms outperform and generalize MF and BP.

Popular inference algorithms such as belief propagation (BP) and generalized belief propagation (GBP) are intimately related to linear programming (LP) relaxation within the Sherali-Adams hierarchy. Despite the popularity of these algorithms, it is well understood that the Sum-of-Squares (SOS) hierarchy based on semidefinite programming (SDP) can provide superior guarantees.