Unsupervised Learning of Temporal Abstractions With Slot-Based Transformers.

The discovery of reusable subroutines simplifies decision making and planning in complex reinforcement learning problems. Previous approaches propose to learn such temporal abstractions in an unsupervised fashion through observing state-action trajectories gathered from executing a policy. However, a current limitation is that they process each trajectory in an entirely sequential manner, which prevents them from revising earlier decisions about subroutine boundary points in light of new incoming information. In this work, we propose slot-based transformer for temporal abstraction (SloTTAr), a fully parallel approach that integrates sequence processing transformers with a slot attention module to discover subroutines in an unsupervised fashion while leveraging adaptive computation for learning about the number of such subroutines solely based on their empirical distribution. We demonstrate how SloTTAr is capable of outperforming strong baselines in terms of boundary point discovery, even for sequences containing variable amounts of subroutines, while being up to seven times faster to train on existing benchmarks.

Recurrent Neural-Linear Posterior Sampling for Nonstationary Contextual Bandits.

An agent in a nonstationary contextual bandit problem should balance between exploration and the exploitation of (periodic or structured) patterns present in its previous experiences. Handcrafting an appropriate historical context is an attractive alternative to transform a nonstationary problem into a stationary problem that can be solved efficiently. However, even a carefully designed historical context may introduce spurious relationships or lack a convenient representation of crucial information. In order to address these issues, we propose an approach that learns to represent the relevant context for a decision based solely on the raw history of interactions between the agent and the environment. This approach relies on a combination of features extracted by recurrent neural networks with a contextual linear bandit algorithm based on posterior sampling. Our experiments on a diverse selection of contextual and noncontextual nonstationary problems show that our recurrent approach consistently outperforms its feedforward counterpart, which requires handcrafted historical contexts, while being more widely applicable than conventional nonstationary bandit algorithms. Although it is very difficult to provide theoretical performance guarantees for our new approach, we also prove a novel regret bound for linear posterior sampling with measurement error that may serve as a foundation for future theoretical work.

Bayesian Brains and the Rényi Divergence.

Under the Bayesian brain hypothesis, behavioral variations can be attributed to different priors over generative model parameters. This provides a formal explanation for why individuals exhibit inconsistent behavioral preferences when confronted with similar choices. For example, greedy preferences are a consequence of confident (or precise) beliefs over certain outcomes. Here, we offer an alternative account of behavioral variability using Rényi divergences and their associated variational bounds. Rényi bounds are analogous to the variational free energy (or evidence lower bound) and can be derived under the same assumptions. Importantly, these bounds provide a formal way to establish behavioral differences through an α parameter, given fixed priors. This rests on changes in α that alter the bound (on a continuous scale), inducing different posterior estimates and consequent variations in behavior. Thus, it looks as if individuals have different priors and have reached different conclusions. More specifically, α→0+ optimization constrains the variational posterior to be positive whenever the true posterior is positive. This leads to mass-covering variational estimates and increased variability in choice behavior. Furthermore, α→+∞ optimization constrains the variational posterior to be zero whenever the true posterior is zero. This leads to mass-seeking variational posteriors and greedy preferences. We exemplify this formulation through simulations of the multiarmed bandit task. We note that these α parameterizations may be especially relevant (i.e., shape preferences) when the true posterior is not in the same family of distributions as the assumed (simpler) approximate density, which may be the case in many real-world scenarios. The ensuing departure from vanilla variational inference provides a potentially useful explanation for differences in behavioral preferences of biological (or artificial) agents under the assumption that the brain performs variational Bayesian inference.

Reinforcement Learning in Sparse-Reward Environments With Hindsight Policy Gradients.

A reinforcement learning agent that needs to pursue different goals across episodes requires a goal-conditional policy. In addition to their potential to generalize desirable behavior to unseen goals, such policies may also enable higher-level planning based on subgoals. In sparse-reward environments, the capacity to exploit information about the degree to which an arbitrary goal has been achieved while another goal was intended appears crucial to enabling sample efficient learning. However, reinforcement learning agents have only recently been endowed with such capacity for hindsight. In this letter, we demonstrate how hindsight can be introduced to policy gradient methods, generalizing this idea to a broad class of successful algorithms. Our experiments on a diverse selection of sparse-reward environments show that hindsight leads to a remarkable increase in sample efficiency.

Reagent prediction with a molecular transformer improves reaction data quality.

Automated synthesis planning is key for efficient generative chemistry. Since reactions of given reactants may yield different products depending on conditions such as the chemical context imposed by specific reagents, computer-aided synthesis planning should benefit from recommendations of reaction conditions. Traditional synthesis planning software, however, typically proposes reactions without specifying such conditions, relying on human organic chemists who know the conditions to carry out suggested reactions. In particular, reagent prediction for arbitrary reactions, a crucial aspect of condition recommendation, has been largely overlooked in cheminformatics until recently. Here we employ the Molecular Transformer, a state-of-the-art model for reaction prediction and single-step retrosynthesis, to tackle this problem. We train the model on the US patents dataset (USPTO) and test it on Reaxys to demonstrate its out-of-distribution generalization capabilities. Our reagent prediction model also improves the quality of product prediction: the Molecular Transformer is able to substitute the reagents in the noisy USPTO data with reagents that enable product prediction models to outperform those trained on plain USPTO. This makes it possible to improve upon the state-of-the-art in reaction product prediction on the USPTO MIT benchmark.

Incremental slow feature analysis: adaptive low-complexity slow feature updating from high-dimensional input streams.

We introduce here an incremental version of slow feature analysis (IncSFA), combining candid covariance-free incremental principal components analysis (CCIPCA) and covariance-free incremental minor components analysis (CIMCA). IncSFA's feature updating complexity is linear with respect to the input dimensionality, while batch SFA's (BSFA) updating complexity is cubic. IncSFA does not need to store, or even compute, any covariance matrices. The drawback to IncSFA is data efficiency: it does not use each data point as effectively as BSFA. But IncSFA allows SFA to be tractably applied, with just a few parameters, directly on high-dimensional input streams (e.g., visual input of an autonomous agent), while BSFA has to resort to hierarchical receptive-field-based architectures when the input dimension is too high. Further, IncSFA's updates have simple Hebbian and anti-Hebbian forms, extending the biological plausibility of SFA. Experimental results show IncSFA learns the same set of features as BSFA and can handle a few cases where BSFA fails.

Analysis of Neural Network Based Proportional Myoelectric Hand Prosthesis Control.

OBJECTIVE: We show that state-of-the-art deep neural networks achieve superior results in regression-based multi-class proportional myoelectric hand prosthesis control than two common baseline approaches, and we analyze the neural network mapping to explain why this is the case. METHODS: Feedforward neural networks and baseline systems are trained on an offline corpus of 11 able-bodied subjects and 4 prosthesis wearers, using the R2 score as metric. Analysis is performed using diverse qualitative and quantitative approaches, followed by a rigorous evaluation. RESULTS: Our best neural networks have at least three hidden layers with at least 128 neurons per layer; smaller architectures, as used by many prior studies, perform substantially worse. The key to good performance is to both optimally regress the target movement, and to suppress spurious movements. Due to the properties of the underlying data, this is impossible to achieve with linear methods, but can be attained with high exactness using sufficiently large neural networks. CONCLUSION: Neural networks perform significantly better than common linear approaches in the given task, in particular when sufficiently large architectures are used. This can be explained by salient properties of the underlying data, and by theoretical and experimental analysis of the neural network mapping. SIGNIFICANCE: To the best of our knowledge, this work is the first one in the field which not only reports that large and deep neural networks are superior to existing architectures, but also explains this result.

Deep, big, simple neural nets for handwritten digit recognition.

Good old online backpropagation for plain multilayer perceptrons yields a very low 0.35% error rate on the MNIST handwritten digits benchmark. All we need to achieve this best result so far are many hidden layers, many neurons per layer, numerous deformed training images to avoid overfitting, and graphics cards to greatly speed up learning.

Generative Adversarial Networks are special cases of Artificial Curiosity (1990) and also closely related to Predictability Minimization (1991).

I review unsupervised or self-supervised neural networks playing minimax games in game-theoretic settings: (i) Artificial Curiosity (AC, 1990) is based on two such networks. One network learns to generate a probability distribution over outputs, the other learns to predict effects of the outputs. Each network minimizes the objective function maximized by the other. (ii) Generative Adversarial Networks (GANs, 2010-2014) are an application of AC where the effect of an output is 1 if the output is in a given set, and 0 otherwise. (iii) Predictability Minimization (PM, 1990s) models data distributions through a neural encoder that maximizes the objective function minimized by a neural predictor of the code components. I correct a previously published claim that PM is not based on a minimax game.

Investigating object compositionality in Generative Adversarial Networks.

Deep generative models seek to recover the process with which the observed data was generated. They may be used to synthesize new samples or to subsequently extract representations. Successful approaches in the domain of images are driven by several core inductive biases. However, a bias to account for the compositional way in which humans structure a visual scene in terms of objects has frequently been overlooked. In this work, we investigate object compositionality as an inductive bias for Generative Adversarial Networks (GANs). We present a minimal modification of a standard generator to incorporate this inductive bias and find that it reliably learns to generate images as compositions of objects. Using this general design as a backbone, we then propose two useful extensions to incorporate dependencies among objects and background. We extensively evaluate our approach on several multi-object image datasets and highlight the merits of incorporating structure for representation learning purposes. In particular, we find that our structured GANs are better at generating multi-object images that are more faithful to the reference distribution. More so, we demonstrate how, by leveraging the structure of the learned generative process, one can 'invert' the learned generative model to perform unsupervised instance segmentation. On the challenging CLEVR dataset, it is shown how our approach is able to improve over other recent purely unsupervised object-centric approaches to image generation.

A novel connectionist system for unconstrained handwriting recognition.

Recognizing lines of unconstrained handwritten text is a challenging task. The difficulty of segmenting cursive or overlapping characters, combined with the need to exploit surrounding context, has led to low recognition rates for even the best current recognizers. Most recent progress in the field has been made either through improved preprocessing or through advances in language modeling. Relatively little work has been done on the basic recognition algorithms. Indeed, most systems rely on the same hidden Markov models that have been used for decades in speech and handwriting recognition, despite their well-known shortcomings. This paper proposes an alternative approach based on a novel type of recurrent neural network, specifically designed for sequence labeling tasks where the data is hard to segment and contains long-range bidirectional interdependencies. In experiments on two large unconstrained handwriting databases, our approach achieves word recognition accuracies of 79.7 percent on online data and 74.1 percent on offline data, significantly outperforming a state-of-the-art HMM-based system. In addition, we demonstrate the network's robustness to lexicon size, measure the individual influence of its hidden layers, and analyze its use of context. Last, we provide an in-depth discussion of the differences between the network and HMMs, suggesting reasons for the network's superior performance.

LSTM: A Search Space Odyssey.

Several variants of the long short-term memory (LSTM) architecture for recurrent neural networks have been proposed since its inception in 1995. In recent years, these networks have become the state-of-the-art models for a variety of machine learning problems. This has led to a renewed interest in understanding the role and utility of various computational components of typical LSTM variants. In this paper, we present the first large-scale analysis of eight LSTM variants on three representative tasks: speech recognition, handwriting recognition, and polyphonic music modeling. The hyperparameters of all LSTM variants for each task were optimized separately using random search, and their importance was assessed using the powerful functional ANalysis Of VAriance framework. In total, we summarize the results of 5400 experimental runs ( ≈ 15 years of CPU time), which makes our study the largest of its kind on LSTM networks. Our results show that none of the variants can improve upon the standard LSTM architecture significantly, and demonstrate the forget gate and the output activation function to be its most critical components. We further observe that the studied hyperparameters are virtually independent and derive guidelines for their efficient adjustment.

Framewise phoneme classification with bidirectional LSTM and other neural network architectures.

In this paper, we present bidirectional Long Short Term Memory (LSTM) networks, and a modified, full gradient version of the LSTM learning algorithm. We evaluate Bidirectional LSTM (BLSTM) and several other network architectures on the benchmark task of framewise phoneme classification, using the TIMIT database. Our main findings are that bidirectional networks outperform unidirectional ones, and Long Short Term Memory (LSTM) is much faster and also more accurate than both standard Recurrent Neural Nets (RNNs) and time-windowed Multilayer Perceptrons (MLPs). Our results support the view that contextual information is crucial to speech processing, and suggest that BLSTM is an effective architecture with which to exploit it.