Adaptive Methods

Annealed Importance Sampling (AIS) synthesizes weighted samples from an intractable distribution given its unnormalized density function. This algorithm relies on a sequence of interpolating distributions bridging the target to an initial tractable distribution such as the well-known geometric mean path of unnormalized distributions which is assumed to be suboptimal in general. In this paper, we prove that the geometric annealing corresponds to the distribution path that minimizes the KL divergence between the current particle distribution and the desired target when the feasible change in the particle distribution is constrained. Following this observation, we derive the constant rate discretization schedule for this annealing sequence, which adjusts the schedule to the difficulty of moving samples between the initial and the target distributions. We further extend our results to $f$-divergences and present the respective dynamics of annealing sequences based on which we propose the Constant Rate AIS (CR-AIS) algorithm and its efficient implementation for $\alpha$-divergences. We empirically show that CR-AIS performs well on multiple benchmark distributions while avoiding the computationally expensive tuning loop in existing Adaptive AIS.

Deep reinforcement learning (RL) is a powerful approach for solving optimal control problems. However, RL-trained policies often suffer from the action fluctuation problem, where the consecutive actions significantly differ despite only slight state variations. This problem results in mechanical components' wear and tear and poses safety hazards. The action fluctuation is caused by the high Lipschitz constant of actor networks. To address this problem, we propose a neural network named LipsNet. We propose the Multi-dimensional Gradient Normalization (MGN) method, to constrain the Lipschitz constant of networks with multi-dimensional input and output. Benefiting from MGN, LipsNet achieves Lipschitz continuity, allowing smooth actions while preserving control performance by adjusting Lipschitz constant. LipsNet addresses the action fluctuation problem at network level rather than algorithm level, which can serve as actor networks in most RL algorithms, making it more flexible and user-friendly than previous works. Experiments demonstrate that LipsNet has good landscape smoothness and noise robustness, resulting in significantly smoother action compared to the Multilayer Perceptron.

We study the problem of uncertainty quantification via prediction sets, in an online setting where the data distribution may vary arbitrarily over time. Recent work develops *online conformal prediction* techniques that leverage regret minimization algorithms from the online learning literature to learn prediction sets with approximately valid coverage and small regret. However, standard regret minimization is insufficient for handling changing environments, where performance guarantees may be desired not only over the full time horizon but also in all (sub-)intervals of time. We develop new online conformal prediction methods that minimize the *strongly adaptive regret*, which measures the worst-case regret over all intervals of a fixed length. We prove that our methods achieve near-optimal strongly adaptive regret for all interval lengths simultaneously, and approximately valid coverage. Experiments show that our methods consistently obtain better coverage and smaller prediction sets than existing methods on real-world tasks such as time series forecasting and image classification under distribution shift.

This paper focuses on continual meta-learning, where few-shot tasks are heterogeneous and sequentially available. Recent works use a mixture model for meta-knowledge to deal with the heterogeneity. However, these methods suffer from parameter inefficiency caused by two reasons: (1) the underlying assumption of mutual exclusiveness among mixture components hinders sharing meta-knowledge across heterogeneous tasks. (2) they only allow increasing mixture components and cannot adaptively filter out redundant components. In this paper, we propose an Adaptive Compositional Continual Meta-Learning (ACML) algorithm, which employs a compositional premise to associate a task with a subset of mixture components, allowing meta-knowledge sharing among heterogeneous tasks. Moreover, to adaptively adjust the number of mixture components, we propose a component sparsification method based on evidential theory to filter out redundant components. Experimental results show ACML outperforms strong baselines, showing the effectiveness of our compositional meta-knowledge, and confirming that ACML can adaptively learn meta-knowledge.

Composition is a key feature of differential privacy. Well-known advanced composition theorems allow one to query a private database quadratically more times than basic privacy composition would permit. However, these results require that the privacy parameters of all algorithms be fixed before interacting with the data. To address this, Rogers et al. introduced fully adaptive composition, wherein both algorithms and their privacy parameters can be selected adaptively. They defined two probabilistic objects to measure privacy in adaptive composition: privacy filters, which provide differential privacy guarantees for composed interactions, and privacy odometers, time-uniform bounds on privacy loss. There are substantial gaps between advanced composition and existing filters and odometers. First, existing filters place stronger assumptions on the algorithms being composed. Second, these odometers and filters suffer from large constants, making them impractical. We construct filters that match the rates of advanced composition, including constants, despite allowing for adaptively chosen privacy parameters. En route we also derive a privacy filter for approximate zCDP. We also construct several general families of odometers. These odometers match the tightness of advanced composition at an arbitrary, preselected point in time, or at all points in time simultaneously, up to a doubly-logarithmic factor. We obtain our results by leveraging advances in martingale concentration. In sum, we show that fully adaptive privacy is obtainable at almost no loss.

We design learning rate schedules that minimize regret for SGD-based online learning in the presence of a changing data distribution. We fully characterize the optimal learning rate schedule for online linear regression via a novel analysis with stochastic differential equations. For general convex loss functions, we propose new learning rate schedules that are robust to distribution shift, and give upper and lower bounds for the regret that only differ by constants. For non-convex loss functions, we define a notion of regret based on the gradient norm of the estimated models and propose a learning schedule that minimizes an upper bound on the total expected regret. Intuitively, one expects changing loss landscapes to require more exploration, and we confirm that optimal learning rate schedules typically have higher learning rates in the presence of distribution shift. Finally, we provide experiments that illustrate these learning rate schedules and their regret.

High-quality machine learning models are dependent on access to high-quality training data. When the data are not already available, it is tedious and costly to obtain them. Data markets help with identifying valuable training data: model consumers pay to train a model, the market uses that budget to identify data and train the model (the budget allocation problem), and finally the market compensates data providers according to their data contribution (revenue allocation problem). For example, a bank could pay the data market to access data from other financial institutions to train a fraud detection model. Compensating data contributors requires understanding data’s contribution to the model; recent efforts to solve this revenue allocation problem based on the Shapley value are inefficient to lead to practical data markets. In this paper, we introduce a new algorithm to solve budget allocation and revenue allocation problems simultaneously in linear time. The new algorithm employs an adaptive sampling process that selects data from those providers who are contributing the most to the model. Better data means that the algorithm accesses those providers more often, and more frequent accesses corresponds to higher compensation. Furthermore, the algorithm can be deployed in both centralized and federated scenarios, boosting its applicability. We provide theoretical guarantees for the algorithm that show the budget is used efficiently and the properties of revenue allocation are similar to Shapley’s. Finally, we conduct an empirical evaluation to show the performance of the algorithm in practical scenarios and when compared to other baselines. Overall, we believe that the new algorithm paves the way for the implementation of practical data markets.

Statistical whitening transformations play a fundamental role in many computational systems, and may also play an important role in biological sensory systems. Existing neural circuit models of adaptive whitening operate by modifying synaptic interactions; however, such modifications would seem both too slow and insufficiently reversible. Motivated by the extensive neuroscience literature on gain modulation, we propose an alternative model that adaptively whitens its responses by modulating the gains of individual neurons. Starting from a novel whitening objective, we derive an online algorithm that whitens its outputs by adjusting the marginal variances of an overcomplete set of projections. We map the algorithm onto a recurrent neural network with fixed synaptic weights and gain-modulating interneurons. We demonstrate numerically that sign-constraining the gains improves robustness of the network to ill-conditioned inputs, and a generalization of the circuit achieves a form of local whitening in convolutional populations, such as those found throughout the visual or auditory systems.

The Sliced-Wasserstein distance (SW) is a computationally efficient and theoretically grounded alternative to the Wasserstein distance. Yet, the literature on its statistical properties -- or, more accurately, its generalization properties -- with respect to the distribution of slices, beyond the uniform measure, is scarce. To bring new contributions to this line of research, we leverage the PAC-Bayesian theory and a central observation that SW may be interpreted as an average risk, the quantity PAC-Bayesian bounds have been designed to characterize. We provide three types of results: i) PAC-Bayesian generalization bounds that hold on what we refer as adaptive Sliced-Wasserstein distances, i.e. SW defined with respect to arbitrary distributions of slices (among which data-dependent distributions), ii) a principled procedure to learn the distribution of slices that yields maximally discriminative SW, by optimizing our theoretical bounds, and iii) empirical illustrations of our theoretical findings.

Adapting to regularities of the environment is critical for biological organisms to anticipate events and plan. A prominent example is the circadian rhythm corresponding to the internalization by organisms of the $24$-hour period of the Earth's rotation. In this work, we study the emergence of circadian-like rhythms in deep reinforcement learning agents. In particular, we deployed agents in an environment with a reliable periodic variation while solving a foraging task. We systematically characterize the agent's behavior during learning and demonstrate the emergence of a rhythm that is endogenous and entrainable. Interestingly, the internal rhythm adapts to shifts in the phase of the environmental signal without any re-training. Furthermore, we show via bifurcation and phase response curve analyses how artificial neurons develop dynamics to support the internalization of the environmental rhythm. From a dynamical systems view, we demonstrate that the adaptation proceeds by the emergence of a stable periodic orbit in the neuron dynamics with a phase response that allows an optimal phase synchronisation between the agent's dynamics and the environmental rhythm.

We consider the problem of estimating (diagonally dominant) M-matrices as precision matrices in Gaussian graphical models. Such models have shown interesting properties, e.g., the maximum likelihood estimator exists with as little as two observations in the case of M-matrices, and exists even with one observation in the case of diagonally dominant M-matrices. We propose an adaptive multiple-stage estimation method, which refines the estimate by solving a weighted $\ell_1$-regularized problem in each stage. We further design a unified framework based on gradient projection method to solve the regularized problem, equipped with different projections to handle the constraints of M-matrices and diagonally dominant M-matrices. Theoretical analysis of the estimation error is established. The proposed method outperforms state-of-the-art methods in estimating precision matrices and identifying graph edges, as evidenced by synthetic and financial time-series data sets.

Streaming speech recognition architectures are employed for low-latency, real-time applications. Such architectures are often characterized by their causality. Causal architectures emit tokens at each frame, relying only on current and past signal, while non-causal models are exposed to a window of future frames at each step to increase predictive accuracy. This dichotomy amounts to a trade-off for real-time Automatic Speech Recognition (ASR) system design: profit from the low-latency benefit of strictly-causal architectures while accepting predictive performance limitations, or realize the modeling benefits of future-context models accompanied by their higher latency penalty. In this work, we relax the constraints of this choice and present the Adaptive Non-Causal Attention Transducer (ANCAT). Our architecture is non-causal in the traditional sense, but executes in a low-latency, streaming manner by dynamically choosing when to rely on future context and to what degree within the audio stream. The resulting mechanism, when coupled with our novel regularization algorithms, delivers comparable accuracy to non-causal configurations while improving significantly upon latency, closing the gap with their causal counterparts. We showcase our design experimentally by reporting comparative ASR task results with measures of accuracy and latency on both publicly accessible and production-scale, voice-assistant datasets.

Graph Neural Networks (GNNs) are promising surrogates for quantum mechanical calculations as they establish unprecedented low errors on collections of molecular dynamics (MD) trajectories. Thanks to their fast inference times they promise to accelerate computational chemistry applications. Unfortunately, despite low in-distribution (ID) errors, such GNNs might be horribly wrong for out-of-distribution (OOD) samples. Uncertainty estimation (UE) may aid in such situations by communicating the model's certainty about its prediction. Here, we take a closer look at the problem and identify six key desiderata for UE in molecular force fields, three 'physics-informed' and three 'application-focused' ones. To overview the field, we survey existing methods from the field of UE and analyze how they fit to the set desiderata. By our analysis, we conclude that none of the previous works satisfies all criteria. To fill this gap, we propose Localized Neural Kernel (LNK) a Gaussian Process (GP)-based extension to existing GNNs satisfying the desiderata. In our extensive experimental evaluation, we test four different UE with three different backbones across two datasets. In out-of-equilibrium detection, we find LNK yielding up to 2.5 and 2.1 times lower errors in terms of AUC-ROC score than dropout or evidential regression-based methods while maintaining high predictive performance.

In this paper, we consider the problem of the high computational complexity of video-based facial expression recognition. A novel sequential procedure is proposed with an adaptive frame rate selection in a short video fragment to speed up decision-making. We automatically adjust the frame rate and process fewer frames with a low frame rate for more straightforward videos and more frames for complex ones. To determine the frame rate at which an inference is sufficiently reliable, the Benjamini-Hochberg procedure from multiple comparisons theory is employed to control the false discovery rate. The main advantages of our method are an improvement of the trustworthiness of decision-making by maintaining only one hyper-parameter (false acceptance rate) and its applicability with arbitrary neural network models used as facial feature extractors without the need to re-train these models. An experimental study on datasets from ABAW and EmotiW challenges proves the superior performance (1.5-40 times faster) of the proposed approach compared to processing all frames and existing techniques with early exiting and adaptive frame selection.

Despite their success on large datasets, GANs have been difficult to apply in the few-shot setting, where only a limited number of training examples are provided. Due to mode collapse, GANs tend to ignore some training examples, causing overfitting to a subset of the training dataset, which is small in the first place. A recent method called Implicit Maximum Likelihood Estimation (IMLE) is an alternative to GAN that tries to address this issue. It uses the same kind of generators as GANs but trains it with a different objective that encourages mode coverage. However, the theoretical guarantees of IMLE hold under a restrictive condition that the optimal likelihood at all data points is the same. In this paper, we present a more generalized formulation of IMLE which includes the original formulation as a special case, and we prove that the theoretical guarantees hold under weaker conditions. Using this generalized formulation, we further derive a new algorithm, which we dub Adaptive IMLE, which can adapt to the varying difficulty of different training examples. We demonstrate on multiple few-shot image synthesis datasets that our method significantly outperforms existing methods. Our code is available at https://github.com/mehranagh20/AdaIMLE.

In recent years, the community of 'explainable artificial intelligence' (XAI) has created a vast body of methods to bridge a perceived gap between model 'complexity' and 'interpretability'. However, a concrete problem to be solved by XAI methods has not yet been formally stated. As a result, XAI methods are lacking theoretical and empirical evidence for the 'correctness' of their explanations, limiting their potential use for quality-control and transparency purposes. At the same time, Haufe et al. (2014) showed, using simple toy examples, that even standard interpretations of linear models can be highly misleading. Specifically, high importance may be attributed to so-called suppressor variables lacking any statistical relation to the prediction target. This behavior has been confirmed empirically for a large array of XAI methods in Wilming et al. (2022). Here, we go one step further by deriving analytical expressions for the behavior of a variety of popular XAI methods on a simple two-dimensional binary classification problem involving Gaussian class-conditional distributions. We show that the majority of the studied approaches will attribute non-zero importance to a non-class-related suppressor feature in the presence of correlated noise. This poses important limitations on the interpretations and conclusions that the outputs of these XAI methods can afford.

We present the task of "Social Rearrangement", consisting of cooperative everyday tasks like setting up the dinner table, tidying a house or unpacking groceries in a simulated multi-agent environment. In Social Rearrangement, two robots coordinate to complete a long-horizon task, using onboard sensing and egocentric observations, and no privileged information about the environment. We study zero-shot coordination (ZSC) in this task, where an agent collaborates with a new partner, emulating a scenario where a robot collaborates with a new human partner. Prior ZSC approaches struggle to generalize in our complex and visually rich setting, and on further analysis, we find that they fail to generate diverse coordination behaviors at training time. To counter this, we propose Behavior Diversity Play (BDP), a novel ZSC approach that encourages diversity through a discriminability objective. Our results demonstrate that BDP learns adaptive agents that can tackle visual coordination, and zero-shot generalize to new partners in unseen environments, achieving 35% higher success and 32% higher efficiency compared to baselines.

Optimizer is an essential component for the success of deep learning, which guides the neural network to update the parameters according to the loss on the training set. SGD and Adam are two classical and effective optimizers on which researchers have proposed many variants, such as SGDM and RAdam. In this paper, we innovatively combine the backward-looking and forward-looking aspects of the optimizer algorithm and propose a novel Admeta (**A** **D**ouble exponential **M**oving averag**E** **T**o **A**daptive and non-adaptive momentum) optimizer framework. For backward-looking part, we propose a DEMA variant scheme, which is motivated by a metric in the stock market, to replace the common exponential moving average scheme. While in the forward-looking part, we present a dynamic lookahead strategy which asymptotically approaches a set value, maintaining its speed at early stage and high convergence performance at final stage. Based on this idea, we provide two optimizer implementations, AdmetaR and AdmetaS, the former based on RAdam and the latter based on SGDM. Through extensive experiments on diverse tasks, we find that the proposed Admeta optimizer outperforms our base optimizers and shows advantages over recently proposed competitive optimizers. We also provide theoretical proof of these two algorithms, which verifies the convergence of our proposed Admeta.

Users linked together through a network often tend to have similar behaviors. This phenomenon is usually known as network interaction. Users' characteristics, the covariates, are often correlated with their outcomes. Therefore, one should incorporate both the covariates and the network information in a carefully designed randomization to improve the estimation of the average treatment effect (ATE) in network A/B testing. In this paper, we propose a new adaptive procedure to balance both the network and the covariates. We show that the imbalance measures with respect to the covariates and the network are $O_p(1)$. We also demonstrate the relationships between the improved balances and the increased efficiency in terms of the mean square error (MSE). Numerical studies demonstrate the advanced performance of the proposed procedure regarding the greater comparability of the treatment groups and the reduction of MSE for estimating the ATE.

Humans have the ability to adapt the type of information they use, the procedure they employ, and the amount of time they spend when solving problems. However, most standard neural networks have a fixed function type and computation budget regardless of the sample's nature or difficulty. Adaptivity is a powerful paradigm as it not only imbues practitioners with flexibility pertaining to the downstream usage of these models but can also serve as a powerful inductive bias for solving certain challenging classes of problems. In this work, we introduce a new approach called AdaTape, which allows for dynamic computation in neural networks through adaptive tape tokens. AdaTape utilizes an elastic input sequence by equipping an architecture with a dynamic read-and-write tape. Specifically, we adaptively generate input sequences using tape tokens obtained from a tape bank which can be either trainable or derived from input data. We examine the challenges and requirements to obtain dynamic sequence content and length, and propose the Adaptive Tape Reading (ATR) algorithm to achieve both goals. Through extensive experiments on image recognition tasks, we show that AdaTape can achieve better performance while maintaining the computational cost. To facilitate further research, we have released code at https://github.com/google-research/scenic/tree/main/scenic/projects/adatape.