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Let $H$ be a fixed graph. The $H$-Transversal problem, given a graph $G$, asks to remove the smallest number of vertices from $G$ so that $G$ does not contain $H$ as a subgraph. While a simple $|V(H)|$-approximation algorithm exists and is believed to be tight for every $2$-vertex-connected $H$, the best hardness of approximation for any tree was $\Omega(\log |V(H)|)$-inapproximability when $H$ is a star. In this paper, we identify a natural parameter $\Delta$ for every tree $T$ and show that $T$-Transversal is NP-hard to approximate within a factor $(\Delta - 1 -\varepsilon)$ for an arbitrarily small constant $\varepsilon > 0$. As a corollary, we prove that there exists a tree $T$ such that $T$-Transversal is NP-hard to approximate within a factor $\Omega(|V(T)|)$, exponentially improving the best known hardness of approximation for tree transversals.

Estimating causal effects from randomized experiments is central to clinical research. Reducing the statistical uncertainty in these analyses is an important objective for statisticians. Registries, prior trials, and health records constitute a growing compendium of historical data on patients under standard-of-care that may be exploitable to this end. However, most methods for historical borrowing achieve reductions in variance by sacrificing strict type-I error rate control. Here, we propose a use of historical data that exploits linear covariate adjustment to improve the efficiency of trial analyses without incurring bias. Specifically, we train a prognostic model on the historical data, then estimate the treatment effect using a linear regression while adjusting for the trial subjects' predicted outcomes (their prognostic scores). We prove that, under certain conditions, this prognostic covariate adjustment procedure attains the minimum variance possible among a large class of estimators. When those conditions are not met, prognostic covariate adjustment is still more efficient than raw covariate adjustment and the gain in efficiency is proportional to a measure of the predictive accuracy of the prognostic model above and beyond the linear relationship with the raw covariates. We demonstrate the approach using simulations and a reanalysis of an Alzheimer's Disease clinical trial and observe meaningful reductions in mean-squared error and the estimated variance. Lastly, we provide a simplified formula for asymptotic variance that enables power calculations that account for these gains. Sample size reductions between 10% and 30% are attainable when using prognostic models that explain a clinically realistic percentage of the outcome variance.

Computational design problems arise in a number of settings, from synthetic biology to computer architectures. In this paper, we aim to solve data-driven model-based optimization (MBO) problems, where the goal is to find a design input that maximizes an unknown objective function provided access to only a static dataset of prior experiments. Such data-driven optimization procedures are the only practical methods in many real-world domains where active data collection is expensive (e.g., when optimizing over proteins) or dangerous (e.g., when optimizing over aircraft designs). Typical methods for MBO that optimize the design against a learned model suffer from distributional shift: it is easy to find a design that "fools" the model into predicting a high value. To overcome this, we propose conservative objective models (COMs), a method that learns a model of the objective function that lower bounds the actual value of the ground-truth objective on out-of-distribution inputs, and uses it for optimization. Structurally, COMs resemble adversarial training methods used to overcome adversarial examples. COMs are simple to implement and outperform a number of existing methods on a wide range of MBO problems, including optimizing protein sequences, robot morphologies, neural network weights, and superconducting materials.

Distance metric learning based on triplet loss has been applied with success in a wide range of applications such as face recognition, image retrieval, speaker change detection and recently recommendation with the CML model. However, as we show in this article, CML requires large batches to work reasonably well because of a too simplistic uniform negative sampling strategy for selecting triplets. Due to memory limitations, this makes it difficult to scale in high-dimensional scenarios. To alleviate this problem, we propose here a 2-stage negative sampling strategy which finds triplets that are highly informative for learning. Our strategy allows CML to work effectively in terms of accuracy and popularity bias, even when the batch size is an order of magnitude smaller than what would be needed with the default uniform sampling. We demonstrate the suitability of the proposed strategy for recommendation and exhibit consistent positive results across various datasets.

In this paper, we propose a deep reinforcement learning framework called GCOMB to learn algorithms that can solve combinatorial problems over large graphs. GCOMB mimics the greedy algorithm in the original problem and incrementally constructs a solution. The proposed framework utilizes Graph Convolutional Network (GCN) to generate node embeddings that predicts the potential nodes in the solution set from the entire node set. These embeddings enable an efficient training process to learn the greedy policy via Q-learning. Through extensive evaluation on several real and synthetic datasets containing up to a million nodes, we establish that GCOMB is up to 41% better than the state of the art, up to seven times faster than the greedy algorithm, robust and scalable to large dynamic networks.

The availability of large microarray data has led to a growing interest in biclustering methods in the past decade. Several algorithms have been proposed to identify subsets of genes and conditions according to different similarity measures and under varying constraints. In this paper we focus on the exclusive row biclustering problem for gene expression data sets, in which each row can only be a member of a single bicluster while columns can participate in multiple ones. This type of biclustering may be adequate, for example, for clustering groups of cancer patients where each patient (row) is expected to be carrying only a single type of cancer, while each cancer type is associated with multiple (and possibly overlapping) genes (columns). We present a novel method to identify these exclusive row biclusters through a combination of existing biclustering algorithms and combinatorial auction techniques. We devise an approach for tuning the threshold for our algorithm based on comparison to a null model in the spirit of the Gap statistic approach. We demonstrate our approach on both synthetic and real-world gene expression data and show its power in identifying large span non-overlapping rows sub matrices, while considering their unique nature. The Gap statistic approach succeeds in identifying appropriate thresholds in all our examples.

This paper addresses the problem of formally verifying desirable properties of neural networks, i.e., obtaining provable guarantees that neural networks satisfy specifications relating their inputs and outputs (robustness to bounded norm adversarial perturbations, for example). Most previous work on this topic was limited in its applicability by the size of the network, network architecture and the complexity of properties to be verified. In contrast, our framework applies to a general class of activation functions and specifications on neural network inputs and outputs. We formulate verification as an optimization problem (seeking to find the largest violation of the specification) and solve a Lagrangian relaxation of the optimization problem to obtain an upper bound on the worst case violation of the specification being verified. Our approach is anytime i.e. it can be stopped at any time and a valid bound on the maximum violation can be obtained. We develop specialized verification algorithms with provable tightness guarantees under special assumptions and demonstrate the practical significance of our general verification approach on a variety of verification tasks.

Stochastic gradient Markov chain Monte Carlo (SGMCMC) has become a popular method for scalable Bayesian inference. These methods are based on sampling a discrete-time approximation to a continuous time process, such as the Langevin diffusion. When applied to distributions defined on a constrained space, such as the simplex, the time-discretisation error can dominate when we are near the boundary of the space. We demonstrate that while current SGMCMC methods for the simplex perform well in certain cases, they struggle with sparse simplex spaces; when many of the components are close to zero. However, most popular large-scale applications of Bayesian inference on simplex spaces, such as network or topic models, are sparse. We argue that this poor performance is due to the biases of SGMCMC caused by the discretization error. To get around this, we propose the stochastic CIR process, which removes all discretization error and we prove that samples from the stochastic CIR process are asymptotically unbiased. Use of the stochastic CIR process within a SGMCMC algorithm is shown to give substantially better performance for a topic model and a Dirichlet process mixture model than existing SGMCMC approaches.

Probabilistic topic models are popular unsupervised learning methods, including probabilistic latent semantic indexing (pLSI) and latent Dirichlet allocation (LDA). By now, their training is implemented on general purpose computers (GPCs), which are flexible in programming but energy-consuming. Towards low-energy implementations, this paper investigates their training on an emerging hardware technology called the neuromorphic multi-chip systems (NMSs). NMSs are very effective for a family of algorithms called spiking neural networks (SNNs). We present three SNNs to train topic models. The first SNN is a batch algorithm combining the conventional collapsed Gibbs sampling (CGS) algorithm and an inference SNN to train LDA. The other two SNNs are online algorithms targeting at both energy- and storage-limited environments. The two online algorithms are equivalent with training LDA by using maximum-a-posterior estimation and maximizing the semi-collapsed likelihood, respectively. They use novel, tailored ordinary differential equations for stochastic optimization. We simulate the new algorithms and show that they are comparable with the GPC algorithms, while being suitable for NMS implementation. We also propose an extension to train pLSI and a method to prune the network to obey the limited fan-in of some NMSs.

Recommender systems play a crucial role in mitigating the problem of information overload by suggesting users' personalized items or services. The vast majority of traditional recommender systems consider the recommendation procedure as a static process and make recommendations following a fixed strategy. In this paper, we propose a novel recommender system with the capability of continuously improving its strategies during the interactions with users. We model the sequential interactions between users and a recommender system as a Markov Decision Process (MDP) and leverage Reinforcement Learning (RL) to automatically learn the optimal strategies via recommending trial-and-error items and receiving reinforcements of these items from users' feedbacks. In particular, we introduce an online user-agent interacting environment simulator, which can pre-train and evaluate model parameters offline before applying the model online. Moreover, we validate the importance of list-wise recommendations during the interactions between users and agent, and develop a novel approach to incorporate them into the proposed framework LIRD for list-wide recommendations. The experimental results based on a real-world e-commerce dataset demonstrate the effectiveness of the proposed framework.