A core interest in building Artificial Intelligence (AI) agents is to let them interact with and assist humans. One example is Dynamic Search (DS), which models the process that a human works with a search engine agent to accomplish a complex and goal-oriented task. Early DS agents using Reinforcement Learning (RL) have only achieved limited success for (1) their lack of direct control over which documents to return and (2) the difficulty to recover from wrong search trajectories. In this paper, we present a novel corpus-level end-to-end exploration (CE3) method to address these issues. In our method, an entire text corpus is compressed into a global low-dimensional representation, which enables the agent to gain access to the full state and action spaces, including the under-explored areas. We also propose a new form of retrieval function, whose linear approximation allows end-to-end manipulation of documents. Experiments on the Text REtrieval Conference (TREC) Dynamic Domain (DD) Track show that CE3 outperforms the state-of-the-art DS systems.

The ability to infer the intentions of others, predict their goals, and deduce their plans are critical features for intelligent agents. For a long time, several approaches investigated the use of symbolic representations and inferences with limited success, principally because it is difficult to capture the cognitive knowledge behind human decisions explicitly. The trend, nowadays, is increasingly focusing on learning to infer intentions directly from data, using deep learning in particular. We are now observing interesting applications of intent classification in natural language processing, visual activity recognition, and emerging approaches in other domains. This paper discusses a novel approach combining few-shot and transfer learning with cross-domain features, to learn to infer the intent of an agent navigating in physical environments, executing arbitrary long sequences of actions to achieve their goals. Experiments in synthetic environments demonstrate improved performance in terms of learning from few samples and generalizing to unseen configurations, compared to a deep-learning baseline approach.

We present new algorithms for computing and approximating bisimulation metrics in Markov Decision Processes (MDPs). Bisimulation metrics are an elegant formalism that capture behavioral equivalence between states and provide strong theoretical guarantees on differences in optimal behaviour. Unfortunately, their computation is expensive and requires a tabular representation of the states, which has thus far rendered them impractical for large problems. In this paper we present a new version of the metric that is tied to a behavior policy in an MDP, along with an analysis of its theoretical properties. We then present two new algorithms for approximating bisimulation metrics in large, deterministic MDPs. The first does so via sampling and is guaranteed to converge to the true metric. The second is a differentiable loss which allows us to learn an approximation even for continuous state MDPs, which prior to this work had not been possible.

The complex world around us is inherently multimodal and sequential (continuous). Information is scattered across different modalities and requires multiple continuous sensors to be captured. As machine learning leaps towards better generalization to real world, multimodal sequential learning becomes a fundamental research area. Arguably, modeling arbitrarily distributed spatio-temporal dynamics within and across modalities is the biggest challenge in this research area. In this paper, we present a new transformer model, called the Factorized Multimodal Transformer (FMT) for multimodal sequential learning. FMT inherently models the intramodal and intermodal (involving two or more modalities) dynamics within its multimodal input in a factorized manner. The proposed factorization allows for increasing the number of self-attentions to better model the multimodal phenomena at hand; without encountering difficulties during training (e.g. overfitting) even on relatively low-resource setups. All the attention mechanisms within FMT have a full time-domain receptive field which allows them to asynchronously capture long-range multimodal dynamics. In our experiments we focus on datasets that contain the three commonly studied modalities of language, vision and acoustic. We perform a wide range of experiments, spanning across 3 well-studied datasets and 21 distinct labels. FMT shows superior performance over previously proposed models, setting new state of the art in the studied datasets.

Frank Noé Department of Mathematics and Computer Science, Freie Universität Berlin, Arnimallee 6, 14195 Berlin, Germany Gianni De Fabritiis Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), Doctor Aiguader 88, 08003 Barcelona, Spain, and Institucio Catalana de Recerca i Estudis Avanats (ICREA), Passeig Lluis Companys 23, Barcelona 08010, Spain Cecilia Clementi Center for Theoretical Biological Physics, and Department of Chemistry, Rice University, 6100 Main Street, Houston, Texas 77005, United StatesAbstract Many aspects of the study of protein folding and dynamics have been affected by the recent advances in machine learning. Methods for the prediction of protein structures from their sequences are now heavily based on machine learning tools. The way simulations are performed to explore the energy landscape of protein systems is also changing as force-fields are started to be designed by means of machine learning methods. These methods are also used to extract the essential information from large simulation datasets and to enhance the sampling of rare events such as folding/unfolding transitions. While significant challenges still need to be tackled, we expect these methods to play an important role on the study of protein folding and dynamics in the near future. We discuss here the recent advances on all these fronts and the questions that need to be addressed for machine learning approaches to become mainstream in protein simulation.Introduction During the last couple of decades advances in artificial intelligence and machine learning have revolutionized many application areas such as image recognition and language translation. The key of this success has been the design of algorithms that can extract complex patterns and highly nontrivial relationships from large amount of data and abstract this information in the evaluation of new data.

Markov chain Monte Carlo (MCMC) algorithm, a generic sampling method, is ubiquitous in modern statistics, especially in Bayesian fields. MCMC algorithms require only the evaluation of the target pointwise, up to a multiple constant, in order to sample from it. In Bayesian analysis, the object of main interest is the posterior, which is not in closed form in general, and MCMC has become a standard tool in this domain. However, MCMC is difficult to scale and its applications are limited when the observation size is very large, for it needs to sweep over the entire observations set in order to evaluate the likelihood function at each iteration. Recently, many methods have been proposed to better scale MCMC algorithms for big data sets and these can be roughly classified into two groups Bardenet et al. (2017): divide-and-conquer methods and subsampling-based methods. For divide-and-conquer methods, one splits the whole data set into subsets, runs MCMC over each subset to generate samples of parameters and combine these to produce an approximation of the true posterior. Depending on how MCMC is handled over the subsets, these methods can be further classified into two sub-categories.

Making the right decisions when some of the state variables are hidden, involves reasoning about all the possible states of the environment. An agent receiving only partial observations needs to infer the true values of these hidden variables based on the history of experiences. Recent deep reinforcement learning methods use recurrent models to keep track of past information. However, these models are sometimes expensive to train and have convergence difficulties, especially when dealing with high dimensional input spaces. Taking inspiration from influence-based abstraction, we show that effective policies can be learned in the presence of uncertainty by only memorizing a small subset of input variables. We also incorporate a mechanism in our network that learns to automatically choose the important pieces of information that need to be remembered. The results indicate that, by forcing the agent's internal memory to focus on the selected regions while treating the rest of the observable variables as Markovian, we can outperform ordinary recurrent architectures in situations where the amount of information that the agent needs to retain represents a small fraction of the entire observation input. The method also reduces training time and obtains better scores than methods that stack multiple observations to remove partial observability in domains where long-term memory is required.

This paper presents a novel incremental learning algorithm for pedestrian motion prediction, with the ability to improve the learned model over time when data is incrementally available. In this setup, trajectories are modeled as simple segments called motion primitives. Transitions between motion primitives are modeled as Gaussian Processes. When new data is available, the motion primitives learned from the new data are compared with the previous ones by measuring the inner product of the motion primitive vectors. Similar motion primitives and transitions are fused and novel motion primitives are added to capture newly observed behaviors. The proposed approach is tested and compared with other baselines in intersection scenarios where the data is incrementally available either from a single intersection or from multiple intersections with different geometries. In both cases, our method incrementally learns motion patterns and outperforms the offline learning approach in terms of prediction errors. The results also show that the model size in our algorithm grows at a much lower rate than standard incremental learning, where newly learned motion primitives and transitions are simply accumulated over time.

Learning and planning in partially-observable domains is one of the most difficult problems in reinforcement learning. Traditional methods consider these two problems as independent, resulting in a classical two-stage paradigm: first learn the environment dynamics and then plan accordingly. This approach, however, disconnects the two problems and can consequently lead to algorithms that are sample inefficient and time consuming. In this paper, we propose a novel algorithm that combines learning and planning together. Our algorithm is closely related to the spectral learning algorithm for predicitive state representations and offers appealing theoretical guarantees and time complexity. We empirically show on two domains that our approach is more sample and time efficient compared to classical methods.

Assortment optimization is an important problem that arises in many practical applications such as retailing and online advertising where the goal is to find a subset of products from a universe of substitutable products that maximize a seller's expected revenue. The demand and the revenue depend on the substitution behavior of the customers that is captured by a choice model. One of the key challenges is to find the right model for the customer substitution behavior. Many parametric random utility based models have been considered in the literature to capture substitution. However, in all these models, the probability of purchase increases as we add more options to the assortment. This is not true in general and in many settings, the probability of purchase may decrease if we add more products to the assortment, referred to as the choice overload. In this paper we attempt to address these serious limitations and propose a generalization of the Markov chain based choice model considered in Blanchet et al. In particular, we handle dynamic preferences and the choice overload phenomenon using a Markovian comparison model that is a generalization of the Markovian substitution framework of Blanchet et al. The Markovian comparison framework allows us to implicitly model the search cost in the choice process and thereby, modeling both dynamic preferences as well as the choice overload phenomenon. We consider the assortment optimization problem for the special case of our generalized Markov chain model where the underlying Markov chain is rank-1 (this is a generalization of the Multinomial Logit model). We show that the assortment optimization problem under this model is NP-hard and present a fully polynomial-time approximation scheme (FPTAS) for this problem.