Artificial intelligence (AI) is steadily reshaping healthcare from all sides, introducing technologies we wouldn't have thought possible five or 10 years ago. It's happening in the clinic (see HealthTap's Doctor A.I.), it's happening in diagnostics (see IBM Watson), and now it's moving into earlier-stage drug discovery with Palo Alto, California-based twoXAR. "In the couple years that we have been around, we've been told hundreds of times that computers cannot do this; that biology is too complex; that this will never work," said Andrew A. Radin, CEO of the AI-driven biopharmaceutical company. "Yet, in every single disease program where we have run proof-of-concept studies on our novel AI-identified candidates, we have generated efficacious results across standard end points." Using a custom-built computational platform, twoXAR works to identify what it calls "unanticipated associations between drug and disease."

Model predictive control (MPC) is a popular control method that has proved effective for robotics, among other fields. MPC performs re-planning at every time step. Re-planning is done with a limited horizon per computational and real-time constraints and often also for robustness to potential model errors. However, the limited horizon leads to suboptimal performance. In this work, we consider the iterative learning setting, where the same task can be repeated several times, and propose a policy improvement scheme for MPC. The main idea is that between executions we can, offline, run MPC with a longer horizon, resulting in a hindsight plan. To bring the next real-world execution closer to the hindsight plan, our approach learns to re-shape the original cost function with the goal of satisfying the following property: short horizon planning (as realistic during real executions) with respect to the shaped cost should result in mimicking the hindsight plan. This effectively consolidates long-term reasoning into the short-horizon planning. We empirically evaluate our approach in contact-rich manipulation tasks both in simulated and real environments, such as peg insertion by a real PR2 robot.

A general formulation of optimization problems in which various candidate solutions may use different feature-sets is presented, encompassing supervised classification, automated program learning and other cases. A novel characterization of the concept of a "good quality feature" for such an optimization problem is provided; and a proposal regarding the integration of quality based feature selection into metalearning is suggested, wherein the quality of a feature for a problem is estimated using knowledge about related features in the context of related problems. Results are presented regarding extensive testing of this "feature metalearning" approach on supervised text classification problems; it is demonstrated that, in this context, feature metalearning can provide significant and sometimes dramatic speedup over standard feature selection heuristics.

During the past decade, several areas of speech and language understanding have witnessed substantial breakthroughs from the use of data-driven models. In the area of dialogue systems, the trend is less obvious, and most practical systems are still built through significant engineering and expert knowledge. Nevertheless, several recent results suggest that data-driven approaches are feasible and quite promising. To facilitate research in this area, we have carried out a wide survey of publicly available datasets suitable for data-driven learning of dialogue systems. We discuss important characteristics of these datasets, how they can be used to learn diverse dialogue strategies, and their other potential uses. We also examine methods for transfer learning between datasets and the use of external knowledge. Finally, we discuss appropriate choice of evaluation metrics for the learning objective.

We demonstrate that, for a range of state-of-the-art machine learning algorithms, the differences in generalisation performance obtained using default parameter settings and using parameters tuned via cross-validation can be similar in magnitude to the differences in performance observed between state-of-the-art and uncompetitive learning systems. This means that fair and rigorous evaluation of new learning algorithms requires performance comparison against benchmark methods with best-practice model selection procedures, rather than using default parameter settings. We investigate the sensitivity of three key machine learning algorithms (support vector machine, random forest and rotation forest) to their default parameter settings, and provide guidance on determining sensible default parameter values for implementations of these algorithms. We also conduct an experimental comparison of these three algorithms on 121 classification problems and find that, perhaps surprisingly, rotation forest is significantly more accurate on average than both random forest and a support vector machine.

The independence clustering problem is considered in the following formulation: given a set $S$ of random variables, it is required to find the finest partitioning $\{U_1,\dots,U_k\}$ of $S$ into clusters such that the clusters $U_1,\dots,U_k$ are mutually independent. Since mutual independence is the target, pairwise similarity measurements are of no use, and thus traditional clustering algorithms are inapplicable. The distribution of the random variables in $S$ is, in general, unknown, but a sample is available. Thus, the problem is cast in terms of time series. Two forms of sampling are considered: i.i.d.\ and stationary time series, with the main emphasis being on the latter, more general, case. A consistent, computationally tractable algorithm for each of the settings is proposed, and a number of open directions for further research are outlined.

In this paper, we study the problem of designing objective functions for machine learning problems defined on finite \emph{sets}. In contrast to traditional objective functions defined for machine learning problems operating on finite dimensional vectors, the new objective functions we propose are operating on finite sets and are invariant to permutations. Such problems are widespread, ranging from estimation of population statistics \citep{poczos13aistats}, via anomaly detection in piezometer data of embankment dams \citep{Jung15Exploration}, to cosmology \citep{Ntampaka16Dynamical,Ravanbakhsh16ICML1}. Our main theorem characterizes the permutation invariant objective functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and image tagging.

We consider the problem of estimating the phases of K mixed complex signals from a multichannel observation, when the mixing matrix and signal magnitudes are known. This problem can be cast as a non-convex quadratically constrained quadratic program which is known to be NP-hard in general. We propose three approaches to tackle it: a heuristic method, an alternate minimization method, and a convex relaxation into a semi-definite program. The last two approaches are showed to outperform the oracle multichannel Wiener filter in under-determined informed source separation tasks, using simulated and speech signals. The convex relaxation approach yields best results, including the potential for exact source separation in under-determined settings.

In this work, we investigate a novel training procedure to learn a generative model as the transition operator of a Markov chain, such that, when applied repeatedly on an unstructured random noise sample, it will denoise it into a sample that matches the target distribution from the training set. The novel training procedure to learn this progressive denoising operation involves sampling from a slightly different chain than the model chain used for generation in the absence of a denoising target. In the training chain we infuse information from the training target example that we would like the chains to reach with a high probability. The thus learned transition operator is able to produce quality and varied samples in a small number of steps. Experiments show competitive results compared to the samples generated with a basic Generative Adversarial Net

The new field of adaptive data analysis seeks to provide algorithms and provable guarantees for models of machine learning that allow researchers to reuse their data, which normally falls outside of the usual statistical paradigm of static data analysis. In 2014, Dwork, Feldman, Hardt, Pitassi, Reingold and Roth introduced one potential model and proposed several solutions based on differential privacy. In previous work in 2016, we described a problem with this model and instead proposed a Bayesian variant, but also found that the analogous Bayesian methods cannot achieve the same statistical guarantees as in the static case. In this paper, we prove the first positive results for the Bayesian model, showing that with a Dirichlet prior, the posterior mean algorithm indeed matches the statistical guarantees of the static case. The main ingredient is a new theorem showing that the $\mathrm{Beta}(\alpha,\beta)$ distribution is subgaussian with variance proxy $O(1/(\alpha+\beta+1))$, a concentration result also of independent interest. We provide two proofs of this result: a probabilistic proof utilizing a simple condition for the raw moments of a positive random variable and a learning-theoretic proof based on considering the beta distribution as a posterior, both of which have implications to other related problems.