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 Learning Graphical Models


Simulating Weighted Automata over Sequences and Trees with Transformers

arXiv.org Artificial Intelligence

Transformers are ubiquitous models in the natural language processing (NLP) community and have shown impressive empirical successes in the past few years. However, little is understood about how they reason and the limits of their computational capabilities. These models do not process data sequentially, and yet outperform sequential neural models such as RNNs. Recent work has shown that these models can compactly simulate the sequential reasoning abilities of deterministic finite automata (DFAs). This leads to the following question: can transformers simulate the reasoning of more complex finite state machines? In this work, we show that transformers can simulate weighted finite automata (WFAs), a class of models which subsumes DFAs, as well as weighted tree automata (WTA), a generalization of weighted automata to tree structured inputs. We prove these claims formally and provide upper bounds on the sizes of the transformer models needed as a function of the number of states the target automata. Empirically, we perform synthetic experiments showing that transformers are able to learn these compact solutions via standard gradient-based training.


SpaceOctopus: An Octopus-inspired Motion Planning Framework for Multi-arm Space Robot

arXiv.org Artificial Intelligence

Space robots have played a critical role in autonomous maintenance and space junk removal. Multi-arm space robots can efficiently complete the target capture and base reorientation tasks due to their flexibility and the collaborative capabilities between the arms. However, the complex coupling properties arising from both the multiple arms and the free-floating base present challenges to the motion planning problems of multi-arm space robots. We observe that the octopus elegantly achieves similar goals when grabbing prey and escaping from danger. Inspired by the distributed control of octopuses' limbs, we develop a multi-level decentralized motion planning framework to manage the movement of different arms of space robots. This motion planning framework integrates naturally with the multi-agent reinforcement learning (MARL) paradigm. The results indicate that our method outperforms the previous method (centralized training). Leveraging the flexibility of the decentralized framework, we reassemble policies trained for different tasks, enabling the space robot to complete trajectory planning tasks while adjusting the base attitude without further learning. Furthermore, our experiments confirm the superior robustness of our method in the face of external disturbances, changing base masses, and even the failure of one arm.


Scalable Spatiotemporal Prediction with Bayesian Neural Fields

arXiv.org Artificial Intelligence

Spatiotemporal datasets, which consist of spatially-referenced time series, are ubiquitous in many scientific and business-intelligence applications, such as air pollution monitoring, disease tracking, and cloud-demand forecasting. As modern datasets continue to increase in size and complexity, there is a growing need for new statistical methods that are flexible enough to capture complex spatiotemporal dynamics and scalable enough to handle large prediction problems. This work presents the Bayesian Neural Field (BayesNF), a domain-general statistical model for inferring rich probability distributions over a spatiotemporal domain, which can be used for data-analysis tasks including forecasting, interpolation, and variography. BayesNF integrates a novel deep neural network architecture for high-capacity function estimation with hierarchical Bayesian inference for robust uncertainty quantification. By defining the prior through a sequence of smooth differentiable transforms, posterior inference is conducted on large-scale data using variationally learned surrogates trained via stochastic gradient descent. We evaluate BayesNF against prominent statistical and machine-learning baselines, showing considerable improvements on diverse prediction problems from climate and public health datasets that contain tens to hundreds of thousands of measurements. The paper is accompanied with an open-source software package (https://github.com/google/bayesnf) that is easy-to-use and compatible with modern GPU and TPU accelerators on the JAX machine learning platform.


Machine Learning for Soccer Match Result Prediction

arXiv.org Artificial Intelligence

Machine learning has become a common approach to predicting the outcomes of soccer matches, and the body of literature in this domain has grown substantially in the past decade and a half. This chapter discusses available datasets, the types of models and features, and ways of evaluating model performance in this application domain. The aim of this chapter is to give a broad overview of the current state and potential future developments in machine learning for soccer match results prediction, as a resource for those interested in conducting future studies in the area. Our main findings are that while gradient-boosted tree models such as CatBoost, applied to soccer-specific ratings such as pi-ratings, are currently the best-performing models on datasets containing only goals as the match features, there needs to be a more thorough comparison of the performance of deep learning models and Random Forest on a range of datasets with different types of features. Furthermore, new rating systems using both player- and team-level information and incorporating additional information from, e.g., spatiotemporal tracking and event data, could be investigated further. Finally, the interpretability of match result prediction models needs to be enhanced for them to be more useful for team management.


Snapshot Reinforcement Learning: Leveraging Prior Trajectories for Efficiency

arXiv.org Artificial Intelligence

Deep reinforcement learning (DRL) algorithms require substantial samples and computational resources to achieve higher performance, which restricts their practical application and poses challenges for further development. Given the constraint of limited resources, it is essential to leverage existing computational work (e.g., learned policies, samples) to enhance sample efficiency and reduce the computational resource consumption of DRL algorithms. Previous works to leverage existing computational work require intrusive modifications to existing algorithms and models, designed specifically for specific algorithms, lacking flexibility and universality. In this paper, we present the Snapshot Reinforcement Learning (SnapshotRL) framework, which enhances sample efficiency by simply altering environments, without making any modifications to algorithms and models. By allowing student agents to choose states in teacher trajectories as the initial state to sample, SnapshotRL can effectively utilize teacher trajectories to assist student agents in training, allowing student agents to explore a larger state space at the early training phase. We propose a simple and effective SnapshotRL baseline algorithm, S3RL, which integrates well with existing DRL algorithms. Our experiments demonstrate that integrating S3RL with TD3, SAC, and PPO algorithms on the MuJoCo benchmark significantly improves sample efficiency and average return, without extra samples and additional computational resources.


Low coordinate degree algorithms I: Universality of computational thresholds for hypothesis testing

arXiv.org Machine Learning

We study when low coordinate degree functions (LCDF) -- linear combinations of functions depending on small subsets of entries of a vector -- can hypothesis test between high-dimensional probability measures. These functions are a generalization, proposed in Hopkins' 2018 thesis but seldom studied since, of low degree polynomials (LDP), a class widely used in recent literature as a proxy for all efficient algorithms for tasks in statistics and optimization. Instead of the orthogonal polynomial decompositions used in LDP calculations, our analysis of LCDF is based on the Efron-Stein or ANOVA decomposition, making it much more broadly applicable. By way of illustration, we prove channel universality for the success of LCDF in testing for the presence of sufficiently "dilute" random signals through noisy channels: the efficacy of LCDF depends on the channel only through the scalar Fisher information for a class of channels including nearly arbitrary additive i.i.d. noise and nearly arbitrary exponential families. As applications, we extend lower bounds against LDP for spiked matrix and tensor models under additive Gaussian noise to lower bounds against LCDF under general noisy channels. We also give a simple and unified treatment of the effect of censoring models by erasing observations at random and of quantizing models by taking the sign of the observations. These results are the first computational lower bounds against any large class of algorithms for all of these models when the channel is not one of a few special cases, and thereby give the first substantial evidence for the universality of several statistical-to-computational gaps.


Balancing Fairness and Accuracy in Data-Restricted Binary Classification

arXiv.org Machine Learning

Applications that deal with sensitive information may have restrictions placed on the data available to a machine learning (ML) classifier. For example, in some applications, a classifier may not have direct access to sensitive attributes, affecting its ability to produce accurate and fair decisions. This paper proposes a framework that models the trade-off between accuracy and fairness under four practical scenarios that dictate the type of data available for analysis. Prior works examine this trade-off by analyzing the outputs of a scoring function that has been trained to implicitly learn the underlying distribution of the feature vector, class label, and sensitive attribute of a dataset. In contrast, our framework directly analyzes the behavior of the optimal Bayesian classifier on this underlying distribution by constructing a discrete approximation it from the dataset itself. This approach enables us to formulate multiple convex optimization problems, which allow us to answer the question: How is the accuracy of a Bayesian classifier affected in different data restricting scenarios when constrained to be fair? Analysis is performed on a set of fairness definitions that include group and individual fairness. Experiments on three datasets demonstrate the utility of the proposed framework as a tool for quantifying the trade-offs among different fairness notions and their distributional dependencies.


A simple model of recognition and recall memory

Neural Information Processing Systems

We show that several striking differences in memory performance between recognition and recall tasks are explained by an ecological bias endemic in classic memory experiments - that such experiments universally involve more stimuli than retrieval cues. We show that while it is sensible to think of recall as simply retrieving items when probed with a cue - typically the item list itself - it is better to think of recognition as retrieving cues when probed with items. To test this theory, by manipulating the number of items and cues in a memory experiment, we show a crossover effect in memory performance within subjects such that recognition performance is superior to recall performance when the number of items is greater than the number of cues and recall performance is better than recognition when the converse holds. We build a simple computational model around this theory, using sampling to approximate an ideal Bayesian observer encoding and retrieving situational co-occurrence frequencies of stimuli and retrieval cues. This model robustly reproduces a number of dissociations in recognition and recall previously used to argue for dual-process accounts of declarative memory.


Variational Walkback: Learning a Transition Operator as a Stochastic Recurrent Net

Neural Information Processing Systems

We propose a novel method to directly learn a stochastic transition operator whose repeated application provides generated samples. Traditional undirected graphical models approach this problem indirectly by learning a Markov chain model whose stationary distribution obeys detailed balance with respect to a parameterized energy function. The energy function is then modified so the model and data distributions match, with no guarantee on the number of steps required for the Markov chain to converge. Moreover, the detailed balance condition is highly restrictive: energy based models corresponding to neural networks must have symmetric weights, unlike biological neural circuits. In contrast, we develop a method for directly learning arbitrarily parameterized transition operators capable of expressing nonequilibrium stationary distributions that violate detailed balance, thereby enabling us to learn more biologically plausible asymmetric neural networks and more general non-energy based dynamical systems. The proposed training objective, which we derive via principled variational methods, encourages the transition operator to "walk back" (prefer to revert its steps) in multi-step trajectories that start at datapoints, as quickly as possible back to the original data points. We present a series of experimental results illustrating the soundness of the proposed approach, Variational Walkback (VW), on the MNIST, CIFAR-10, SVHN and CelebA datasets, demonstrating superior samples compared to earlier attempts to learn a transition operator. We also show that although each rapid training trajectory is limited to a finite but variable number of steps, our transition operator continues to generate good samples well past the length of such trajectories, thereby demonstrating the match of its non-equilibrium stationary distribution to the data distribution.


In-context Exploration-Exploitation for Reinforcement Learning

arXiv.org Machine Learning

In-context learning is a promising approach for online policy learning of offline reinforcement learning (RL) methods, which can be achieved at inference time without gradient optimization. However, this method is hindered by significant computational costs resulting from the gathering of large training trajectory sets and the need to train large Transformer models. We address this challenge by introducing an In-context Exploration-Exploitation (ICEE) algorithm, designed to optimize the efficiency of in-context policy learning. Unlike existing models, ICEE performs an exploration-exploitation trade-off at inference time within a Transformer model, without the need for explicit Bayesian inference. Consequently, ICEE can solve Bayesian optimization problems as efficiently as Gaussian process biased methods do, but in significantly less time. Through experiments in grid world environments, we demonstrate that ICEE can learn to solve new RL tasks using only tens of episodes, marking a substantial improvement over the hundreds of episodes needed by the previous in-context learning method.