Learning the Structure for Structured Sparsity

Structured sparsity has recently emerged in statistics, machine learning and signal processing as a promising paradigm for learning in high-dimensional settings. All existing methods for learning under the assumption of structured sparsity rely on prior knowledge on how to weight (or how to penalize) individual subsets of variables during the subset selection process, which is not available in general. Inferring group weights from data is a key open research problem in structured sparsity.In this paper, we propose a Bayesian approach to the problem of group weight learning. We model the group weights as hyperparameters of heavy-tailed priors on groups of variables and derive an approximate inference scheme to infer these hyperparameters. We empirically show that we are able to recover the model hyperparameters when the data are generated from the model, and we demonstrate the utility of learning weights in synthetic and real denoising problems

Reinforcement Q-Learning using OpenAI Gym

Abstract. Q-Learning is an off-policy algorithm for reinforcement learning, that can be used to find optimal policies in Markovian domains. This thesis is about how Q-Learning can be applied to a test environment in the OpenAI Gym toolkit. The utility of testing the algorithm on a problem case is to find out how well it performs as well proving the practical utility of the algorithm. This thesis starts off with a general overview of reinforcement learning as well as the Markov decision process, both of which are crucial in understanding the theoretical groundwork that Q-Learning is based on. After that we move on to discussing the Q-Learning technique itself and dissect the algorithm in detail. We also go over OpenAI Gym toolkit and how it can be used to test the algorithm’s functionality. Finally, we introduce the problem case and apply the algorithm to solve it and analyse the results. The reasoning for this thesis is the rise of reinforcement learning and its increasing relevance in the future as technological progress allows for more and more complex and sophisticated applications of machine learning and artificial intelligence

Privacy-Utility Trade-off of Linear Regression under Random Projections and Additive Noise

Data privacy is an important concern in machine learning, and is fundamentally at odds with the task of training useful learning models, which typically require the acquisition of large amounts of private user data. One possible way of fulfilling the machine learning task while preserving user privacy is to train the model on a transformed, noisy version of the data, which does not reveal the data itself directly to the training procedure. In this work, we analyze the privacy-utility trade-off of two such schemes for the problem of linear regression: additive noise, and random projections. In contrast to previous work, we consider a recently proposed notion of differential privacy that is based on conditional mutual information (MI-DP), which is stronger than the conventional $(\epsilon, \delta)$-differential privacy, and use relative objective error as the utility metric. We find that projecting the data to a lower-dimensional subspace before adding noise attains a better trade-off in general. We also make a connection between privacy problem and (non-coherent) SIMO, which has been extensively studied in wireless communication, and use tools from there for the analysis. We present numerical results demonstrating the performance of the schemes.Comment: A short version is published in ISIT 201

Melding the Data-Decisions Pipeline: Decision-Focused Learning for Combinatorial Optimization

Creating impact in real-world settings requires artificial intelligence techniques to span the full pipeline from data, to predictive models, to decisions. These components are typically approached separately: a machine learning model is first trained via a measure of predictive accuracy, and then its predictions are used as input into an optimization algorithm which produces a decision. However, the loss function used to train the model may easily be misaligned with the end goal, which is to make the best decisions possible. Hand-tuning the loss function to align with optimization is a difficult and error-prone process (which is often skipped entirely). We focus on combinatorial optimization problems and introduce a general framework for decision-focused learning, where the machine learning model is directly trained in conjunction with the optimization algorithm to produce high-quality decisions. Technically, our contribution is a means of integrating common classes of discrete optimization problems into deep learning or other predictive models, which are typically trained via gradient descent. The main idea is to use a continuous relaxation of the discrete problem to propagate gradients through the optimization procedure. We instantiate this framework for two broad classes of combinatorial problems: linear programs and submodular maximization. Experimental results across a variety of domains show that decision-focused learning often leads to improved optimization performance compared to traditional methods. We find that standard measures of accuracy are not a reliable proxy for a predictive model's utility in optimization, and our method's ability to specify the true goal as the model's training objective yields substantial dividends across a range of decision problems.Comment: Full version of paper accepted at AAAI 201

Transformative Machine Learning

The key to success in machine learning (ML) is the use of effective data representations. Traditionally, data representations were hand-crafted. Recently it has been demonstrated that, given sufficient data, deep neural networks can learn effective implicit representations from simple input representations. However, for most scientific problems, the use of deep learning is not appropriate as the amount of available data is limited, and/or the output models must be explainable. Nevertheless, many scientific problems do have significant amounts of data available on related tasks, which makes them amenable to multi-task learning, i.e. learning many related problems simultaneously. Here we propose a novel and general representation learning approach for multi-task learning that works successfully with small amounts of data. The fundamental new idea is to transform an input intrinsic data representation (i.e., handcrafted features), to an extrinsic representation based on what a pre-trained set of models predict about the examples. This transformation has the dual advantages of producing significantly more accurate predictions, and providing explainable models. To demonstrate the utility of this transformative learning approach, we have applied it to three real-world scientific problems: drug-design (quantitative structure activity relationship learning), predicting human gene expression (across different tissue types and drug treatments), and meta-learning for machine learning (predicting which machine learning methods work best for a given problem). In all three problems, transformative machine learning significantly outperforms the best intrinsic representation

A General Framework for Learning-Augmented Online Allocation

Online allocation is a broad class of problems where items arriving online have to be allocated to agents who have a fixed utility/cost for each assigned item so to maximize/minimize some objective. This framework captures a broad range of fundamental problems such as the Santa Claus problem (maximizing minimum utility), Nash welfare maximization (maximizing geometric mean of utilities), makespan minimization (minimizing maximum cost), minimization of ?_p-norms, and so on. We focus on divisible items (i.e., fractional allocations) in this paper. Even for divisible items, these problems are characterized by strong super-constant lower bounds in the classical worst-case online model. In this paper, we study online allocations in the learning-augmented setting, i.e., where the algorithm has access to some additional (machine-learned) information about the problem instance. We introduce a general algorithmic framework for learning-augmented online allocation that produces nearly optimal solutions for this broad range of maximization and minimization objectives using only a single learned parameter for every agent. As corollaries of our general framework, we improve prior results of Lattanzi et al. (SODA 2020) and Li and Xian (ICML 2021) for learning-augmented makespan minimization, and obtain the first learning-augmented nearly-optimal algorithms for the other objectives such as Santa Claus, Nash welfare, ?_p-minimization, etc. We also give tight bounds on the resilience of our algorithms to errors in the learned parameters, and study the learnability of these parameters

A General Framework for Learning-Augmented Online Allocation

Online allocation is a broad class of problems where items arriving online have to be allocated to agents who have a fixed utility/cost for each assigned item so to maximize/minimize some objective. This framework captures a broad range of fundamental problems such as the Santa Claus problem (maximizing minimum utility), Nash welfare maximization (maximizing geometric mean of utilities), makespan minimization (minimizing maximum cost), minimization of $\ell_p$-norms, and so on. We focus on divisible items (i.e., fractional allocations) in this paper. Even for divisible items, these problems are characterized by strong super-constant lower bounds in the classical worst-case online model. In this paper, we study online allocations in the {\em learning-augmented} setting, i.e., where the algorithm has access to some additional (machine-learned) information about the problem instance. We introduce a {\em general} algorithmic framework for learning-augmented online allocation that produces nearly optimal solutions for this broad range of maximization and minimization objectives using only a single learned parameter for every agent. As corollaries of our general framework, we improve prior results of Lattanzi et al. (SODA 2020) and Li and Xian (ICML 2021) for learning-augmented makespan minimization, and obtain the first learning-augmented nearly-optimal algorithms for the other objectives such as Santa Claus, Nash welfare, $\ell_p$-minimization, etc. We also give tight bounds on the resilience of our algorithms to errors in the learned parameters, and study the learnability of these parameters

Meta-QSAR: a large-scale application of meta-learning to drug design and discovery.

We investigate the learning of quantitative structure activity relationships (QSARs) as a case-study of meta-learning. This application area is of the highest societal importance, as it is a key step in the development of new medicines. The standard QSAR learning problem is: given a target (usually a protein) and a set of chemical compounds (small molecules) with associated bioactivities (e.g. inhibition of the target), learn a predictive mapping from molecular representation to activity. Although almost every type of machine learning method has been applied to QSAR learning there is no agreed single best way of learning QSARs, and therefore the problem area is well-suited to meta-learning. We first carried out the most comprehensive ever comparison of machine learning methods for QSAR learning: 18 regression methods, 3 molecular representations, applied to more than 2700 QSAR problems. (These results have been made publicly available on OpenML and represent a valuable resource for testing novel meta-learning methods.) We then investigated the utility of algorithm selection for QSAR problems. We found that this meta-learning approach outperformed the best individual QSAR learning method (random forests using a molecular fingerprint representation) by up to 13%, on average. We conclude that meta-learning outperforms base-learning methods for QSAR learning, and as this investigation is one of the most extensive ever comparisons of base and meta-learning methods ever made, it provides evidence for the general effectiveness of meta-learning over base-learning