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Distances between data points are widely used in machine learning applications. Yet, when corrupted by noise, these distances -- and thus the models based upon them -- may lose their usefulness in high dimensions. Indeed, the small marginal effects of the noise may then accumulate quickly, shifting empirical closest and furthest neighbors away from the ground truth. In this paper, we exactly characterize such effects in noisy high-dimensional data using an asymptotic probabilistic expression. Previously, it has been argued that neighborhood queries become meaningless and unstable when distance concentration occurs, which means that there is a poor relative discrimination between the furthest and closest neighbors in the data. However, we conclude that this is not necessarily the case when we decompose the data in a ground truth -- which we aim to recover -- and noise component. More specifically, we derive that under particular conditions, empirical neighborhood relations affected by noise are still likely to be truthful even when distance concentration occurs. We also include thorough empirical verification of our results, as well as interesting experiments in which our derived `phase shift' where neighbors become random or not turns out to be identical to the phase shift where common dimensionality reduction methods perform poorly or well for recovering low-dimensional reconstructions of high-dimensional data with dense noise.

Over the last few years, the Shapley value, a solution concept from cooperative game theory, has found numerous applications in machine learning. In this paper, we first discuss fundamental concepts of cooperative game theory and axiomatic properties of the Shapley value. Then we give an overview of the most important applications of the Shapley value in machine learning: feature selection, explainability, multi-agent reinforcement learning, ensemble pruning, and data valuation. We examine the most crucial limitations of the Shapley value and point out directions for future research.

Learning a graph topology to reveal the underlying relationship between data entities plays an important role in various machine learning and data analysis tasks. Under the assumption that structured data vary smoothly over a graph, the problem can be formulated as a regularised convex optimisation over a positive semidefinite cone and solved by iterative algorithms. Classic methods require an explicit convex function to reflect generic topological priors, e.g. the $\ell_1$ penalty for enforcing sparsity, which limits the flexibility and expressiveness in learning rich topological structures. We propose to learn a mapping from node data to the graph structure based on the idea of learning to optimise (L2O). Specifically, our model first unrolls an iterative primal-dual splitting algorithm into a neural network. The key structural proximal projection is replaced with a variational autoencoder that refines the estimated graph with enhanced topological properties. The model is trained in an end-to-end fashion with pairs of node data and graph samples. Experiments on both synthetic and real-world data demonstrate that our model is more efficient than classic iterative algorithms in learning a graph with specific topological properties.

Multi-Task Learning (MTL) is a learning paradigm in machine learning and its aim is to leverage useful information contained in multiple related tasks to help improve the generalization performance of all the tasks. In this paper, we give a survey for MTL from the perspective of algorithmic modeling, applications and theoretical analyses. For algorithmic modeling, we give a definition of MTL and then classify different MTL algorithms into five categories, including feature learning approach, low-rank approach, task clustering approach, task relation learning approach and decomposition approach as well as discussing the characteristics of each approach. In order to improve the performance of learning tasks further, MTL can be combined with other learning paradigms including semi-supervised learning, active learning, unsupervised learning, reinforcement learning, multi-view learning and graphical models. When the number of tasks is large or the data dimensionality is high, we review online, parallel and distributed MTL models as well as dimensionality reduction and feature hashing to reveal their computational and storage advantages. Many real-world applications use MTL to boost their performance and we review representative works in this paper. Finally, we present theoretical analyses and discuss several future directions for MTL.

It has been a long time that computer architecture and systems are optimized to enable efficient execution of machine learning (ML) algorithms or models. Now, it is time to reconsider the relationship between ML and systems, and let ML transform the way that computer architecture and systems are designed. This embraces a twofold meaning: the improvement of designers' productivity, and the completion of the virtuous cycle. In this paper, we present a comprehensive review of work that applies ML for system design, which can be grouped into two major categories, ML-based modelling that involves predictions of performance metrics or some other criteria of interest, and ML-based design methodology that directly leverages ML as the design tool. For ML-based modelling, we discuss existing studies based on their target level of system, ranging from the circuit level to the architecture/system level. For ML-based design methodology, we follow a bottom-up path to review current work, with a scope of (micro-)architecture design (memory, branch prediction, NoC), coordination between architecture/system and workload (resource allocation and management, data center management, and security), compiler, and design automation. We further provide a future vision of opportunities and potential directions, and envision that applying ML for computer architecture and systems would thrive in the community.

The demand for artificial intelligence has grown significantly over the last decade and this growth has been fueled by advances in machine learning techniques and the ability to leverage hardware acceleration. However, in order to increase the quality of predictions and render machine learning solutions feasible for more complex applications, a substantial amount of training data is required. Although small machine learning models can be trained with modest amounts of data, the input for training larger models such as neural networks grows exponentially with the number of parameters. Since the demand for processing training data has outpaced the increase in computation power of computing machinery, there is a need for distributing the machine learning workload across multiple machines, and turning the centralized into a distributed system. These distributed systems present new challenges, first and foremost the efficient parallelization of the training process and the creation of a coherent model. This article provides an extensive overview of the current state-of-the-art in the field by outlining the challenges and opportunities of distributed machine learning over conventional (centralized) machine learning, discussing the techniques used for distributed machine learning, and providing an overview of the systems that are available.

This paper surveys the machine learning literature and presents machine learning as optimization models. Such models can benefit from the advancement of numerical optimization techniques which have already played a distinctive role in several machine learning settings. Particularly, mathematical optimization models are presented for commonly used machine learning approaches for regression, classification, clustering, and deep neural networks as well new emerging applications in machine teaching and empirical model learning. The strengths and the shortcomings of these models are discussed and potential research directions are highlighted.

Machine learning methods are powerful in distinguishing different phases of matter in an automated way and provide a new perspective on the study of physical phenomena. We train a Restricted Boltzmann Machine (RBM) on data constructed with spin configurations sampled from the Ising Hamiltonian at different values of temperature and external magnetic field using Monte Carlo methods. From the trained machine we obtain the flow of iterative reconstruction of spin state configurations to faithfully reproduce the observables of the physical system. We find that the flow of the trained RBM approaches the spin configurations of the maximal possible specific heat which resemble the near criticality region of the Ising model. In the special case of the vanishing magnetic field the trained RBM converges to the critical point of the Renormalization Group (RG) flow of the lattice model. Our results suggest an alternative explanation of how the machine identifies the physical phase transitions, by recognizing certain properties of the configuration like the maximization of the specific heat, instead of associating directly the recognition procedure with the RG flow and its fixed points. Then from the reconstructed data we deduce the critical exponent associated to the magnetization to find satisfactory agreement with the actual physical value. We assume no prior knowledge about the criticality of the system and its Hamiltonian.

For an autonomous agent to fulfill a wide range of user-specified goals at test time, it must be able to learn broadly applicable and general-purpose skill repertoires. Furthermore, to provide the requisite level of generality, these skills must handle raw sensory input such as images. In this paper, we propose an algorithm that acquires such general-purpose skills by combining unsupervised representation learning and reinforcement learning of goal-conditioned policies. Since the particular goals that might be required at test-time are not known in advance, the agent performs a self-supervised "practice" phase where it imagines goals and attempts to achieve them. We learn a visual representation with three distinct purposes: sampling goals for self-supervised practice, providing a structured transformation of raw sensory inputs, and computing a reward signal for goal reaching. We also propose a retroactive goal relabeling scheme to further improve the sample-efficiency of our method. Our off-policy algorithm is efficient enough to learn policies that operate on raw image observations and goals for a real-world robotic system, and substantially outperforms prior techniques.

Recent years have witnessed significant progresses in deep Reinforcement Learning (RL). Empowered with large scale neural networks, carefully designed architectures, novel training algorithms and massively parallel computing devices, researchers are able to attack many challenging RL problems. However, in machine learning, more training power comes with a potential risk of more overfitting. As deep RL techniques are being applied to critical problems such as healthcare and finance, it is important to understand the generalization behaviors of the trained agents. In this paper, we conduct a systematic study of standard RL agents and find that they could overfit in various ways. Moreover, overfitting could happen "robustly": commonly used techniques in RL that add stochasticity do not necessarily prevent or detect overfitting. In particular, the same agents and learning algorithms could have drastically different test performance, even when all of them achieve optimal rewards during training. The observations call for more principled and careful evaluation protocols in RL. We conclude with a general discussion on overfitting in RL and a study of the generalization behaviors from the perspective of inductive bias.