Reasoning about objects, relations, and physics is central to human intelligence, and a key goal of artificial intelligence. Here we introduce the interaction network, a model which can reason about how objects in complex systems interact, supporting dynamical predictions, as well as inferences about the abstract properties of the system. Our model takes graphs as input, performs object-and relation-centric reasoning in a way that is analogous to a simulation, and is implemented using deep neural networks. We evaluate its ability to reason about several challenging physical domains: n-body problems, rigid-body collision, and non-rigid dynamics. Our results show it can be trained to accurately simulate the physical trajectories of dozens of objects over thousands of time steps, estimate abstract quantities such as energy, and generalize automatically to systems with different numbers and configurations of objects and relations. Our interaction network implementation is the first general-purpose, learnable physics engine, and a powerful general framework for reasoning about object and relations in a wide variety of complex real-world domains.

Sequence-to-sequence models have achieved impressive results on various tasks. However, they are unsuitable for tasks that require incremental predictions to be made as more data arrives or tasks that have long input sequences and output sequences. This is because they generate an output sequence conditioned on an entire input sequence. In this paper, we present a Neural Transducer that can make incremental predictions as more input arrives, without redoing the entire computation. Unlike sequence-to-sequence models, the Neural Transducer computes the next-step distribution conditioned on the partially observed input sequence and the partially generated sequence.

Effective convolutional neural networks are trained on large sets of labeled data. However, creating large labeled datasets is a very costly and time-consuming task. Semi-supervised learning uses unlabeled data to train a model with higher accuracy when there is a limited set of labeled data available. In this paper, we consider the problem of semi-supervised learning with convolutional neural networks. Techniques such as randomized data augmentation, dropout and random max-pooling provide better generalization and stability for classifiers that are trained using gradient descent. Multiple passes of an individual sample through the network might lead to different predictions due to the non-deterministic behavior of these techniques. We propose an unsupervised loss function that takes advantage of the stochastic nature of these methods and minimizes the difference between the predictions of multiple passes of a training sample through the network. We evaluate the proposed method on several benchmark datasets.

A key problem in structured output prediction is enabling direct optimization of the task reward function that matters for test evaluation. This paper presents a simple and computationally efficient method that incorporates task reward into maximum likelihood training. We establish a connection between maximum likelihood and regularized expected reward, showing that they are approximately equivalent in the vicinity of the optimal solution. Then we show how maximum likelihood can be generalized by optimizing the conditional probability of auxiliary outputs that are sampled proportional to their exponentiated scaled rewards. We apply this framework to optimize edit distance in the output space, by sampling from edited targets. Experiments on speech recognition and machine translation for neural sequence to sequence models show notable improvements over maximum likelihood baseline by simply sampling from target output augmentations.

We consider the problem of recovering a signal observed in Gaussian noise. If the set of signals is convex and compact, and can be specified beforehand, one can use classical linear estimators that achieve a risk within a constant factor of the minimax risk. However, when the set is unspecified, designing an estimator that is blind to the hidden structure of the signal remains a challenging problem. We propose a new family of estimators to recover signals observed in Gaussian noise. Instead of specifying the set where the signal lives, we assume the existence of a well-performing linear estimator. Proposed estimators enjoy exact oracle inequalities and can be efficiently computed through convex optimization.

A key challenge in sequential decision problems is to determine how many samples are needed for an agent to make reliable decisions with good probabilistic guarantees. We introduce Hoeffding-like concentration inequalities that hold for a random, adaptively chosen number of samples. Our inequalities are tight under natural assumptions and can greatly simplify the analysis of common sequential decision problems. In particular, we apply them to sequential hypothesis testing, best arm identification, and sorting. The resulting algorithms rival or exceed the state of the art both theoretically and empirically.

We consider the problem of recommending relevant labels (items) for a given data point (user). In particular, we are interested in the practically important setting where the evaluation is with respect to non-decomposable (over labels) performance metrics like the $F_1$ measure, \emph{and} training data has missing labels. To this end, we propose a generic framework that given a performance metric $\Psi$, can devise a regularized objective function and a threshold such that all the values in the predicted score vector above and only above the threshold are selected to be positive. We show that the regret or generalization error in the given metric $\Psi$ is bounded ultimately by estimation error of certain underlying parameters. In particular, we derive regret bounds under three popular settings: a) collaborative filtering, b) multilabel classification, and c) PU (positive-unlabeled) learning. For each of the above problems, we can obtain precise non-asymptotic regret bound which is small even when a large fraction of labels is missing. Our empirical results on synthetic and benchmark datasets demonstrate that by explicitly modeling for missing labels and optimizing the desired performance metric, our algorithm indeed achieves significantly better performance (like $F_1$ score) when compared to methods that do not model missing label information carefully.

Influence maximization in social networks has typically been studied in the context of contagion models and irreversible processes. In this paper, we consider an alternate model that treats individual opinions as spins in an Ising system at dynamic equilibrium. We formalize the \textit{Ising influence maximization} problem, which has a natural physical interpretation as maximizing the magnetization given a budget of external magnetic field. Under the mean-field (MF) approximation, we present a gradient ascent algorithm that uses the susceptibility to efficiently calculate local maxima of the magnetization, and we develop a number of sufficient conditions for when the MF magnetization is concave and our algorithm converges to a global optimum. We apply our algorithm on random and real-world networks, demonstrating, remarkably, that the MF optimal external fields (i.e., the external fields which maximize the MF magnetization) exhibit a phase transition from focusing on high-degree individuals at high temperatures to focusing on low-degree individuals at low temperatures. We also establish a number of novel results about the structure of steady-states in the ferromagnetic MF Ising model on general graphs, which are of independent interest.

We provide finite-sample analysis of a general framework for using k-nearest neighbor statistics to estimate functionals of a nonparametric continuous probability density, including entropies and divergences. Rather than plugging a consistent density estimate (which requires k as the sample size n) into the functional of interest, the estimators we consider fix k and perform a bias correction. This can be more efficient computationally, and, as we show, statistically, leading to faster convergence rates. Our framework unifies several previous estimators, for most of which ours are the first finite sample guarantees.

We propose a new approach to designing visual markers (analogous to QR-codes, markers for augmented reality, and robotic fiducial tags) based on the advances in deep generative networks. In our approach, the markers are obtained as color images synthesized by a deep network from input bit strings, whereas another deep network is trained to recover the bit strings back from the photos of these markers. The two networks are trained simultaneously in a joint backpropagation process that takes characteristic photometric and geometric distortions associated with marker fabrication and capture into account. Additionally, a stylization loss based on statistics of activations in a pretrained classification network can be inserted into the learning in order to shift the marker appearance towards some texture prototype. In the experiments, we demonstrate that the markers obtained using our approach are capable of retaining bit strings that are long enough to be practical. The ability to automatically adapt markers according to the usage scenario and the desired capacity as well as the ability to combine information encoding with artistic stylization are the unique properties of our approach. As a byproduct, our approach provides an insight on the structure of patterns that are most suitable for recognition by ConvNets and on their ability to distinguish composite patterns.