Structured prediction problems are one of the fundamental tools in machine learning. In order to facilitate algorithm development for their numerical solution, we collect in one place a large number of datasets in easy to read formats for a diverse set of problem classes. We provide archival links to datasets, description of the considered problems and problem formats, and a short summary of problem characteristics including size, number of instances etc. For reference we also give a non-exhaustive selection of algorithms proposed in the literature for their solution. We hope that this central repository will make benchmarking and comparison to established works easier. We welcome submission of interesting new datasets and algorithms for inclusion in our archive.
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We develop a general theory to optimize the frequentist regret for sequential learning problems, where efficient bandit and reinforcement learning algorithms can be derived from unified Bayesian principles. We propose a novel optimization approach to generate "algorithmic beliefs" at each round, and use Bayesian posteriors to make decisions. The optimization objective to create "algorithmic beliefs," which we term "Algorithmic Information Ratio," represents an intrinsic complexity measure that effectively characterizes the frequentist regret of any algorithm. To the best of our knowledge, this is the first systematical approach to make Bayesian-type algorithms prior-free and applicable to adversarial settings, in a generic and optimal manner. Moreover, the algorithms are simple and often efficient to implement. As a major application, we present a novel algorithm for multi-armed bandits that achieves the "best-of-all-worlds" empirical performance in the stochastic, adversarial, and non-stationary environments. And we illustrate how these principles can be used in linear bandits, bandit convex optimization, and reinforcement learning.
The advent of quantum computers, operating on entirely different physical principles and abstractions from those of classical digital computers, sets forth a new computing paradigm that can potentially result in game-changing efficiencies and computational performance. Specifically, the ability to simultaneously evolve the state of an entire quantum system leads to quantum parallelism and interference. Despite these prospects, opportunities to bring quantum computing to bear on problems of computational mechanics remain largely unexplored. In this work, we demonstrate how quantum computing can indeed be used to solve representative volume element (RVE) problems in computational homogenisation with polylogarithmic complexity of~$ \mathcal{O}((\log N)^c)$, compared to~$\mathcal{O}(N^c)$ in classical computing. Thus, our quantum RVE solver attains exponential acceleration with respect to classical solvers, bringing concurrent multiscale computing closer to practicality. The proposed quantum RVE solver combines conventional algorithms such as a fixed-point iteration for a homogeneous reference material and the Fast Fourier Transform (FFT). However, the quantum computing reformulation of these algorithms requires a fundamental paradigm shift and a complete rethinking and overhaul of the classical implementation. We employ or develop several techniques, including the Quantum Fourier Transform (QFT), quantum encoding of polynomials, classical piecewise Chebyshev approximation of functions and an auxiliary algorithm for implementing the fixed-point iteration and show that, indeed, an efficient implementation of RVE solvers on quantum computers is possible. We additionally provide theoretical proofs and numerical evidence confirming the anticipated~$ \mathcal{O} \left ((\log N)^c \right) $ complexity of the proposed solver.
Neural machine translation benefits from semantically rich representations. Considerable progress in learning such representations has been achieved by language modelling and mutual information maximization objectives using contrastive learning. The language-dependent nature of language modelling introduces a trade-off between the universality of the learned representations and the model's performance on the language modelling tasks. Although contrastive learning improves performance, its success cannot be attributed to mutual information alone. We propose a novel Context Enhancement step to improve performance on neural machine translation by maximizing mutual information using the Barlow Twins loss. Unlike other approaches, we do not explicitly augment the data but view languages as implicit augmentations, eradicating the risk of disrupting semantic information. Further, our method does not learn embeddings from scratch and can be generalised to any set of pre-trained embeddings. Finally, we evaluate the language-agnosticism of our embeddings through language classification and use them for neural machine translation to compare with state-of-the-art approaches.
We present Advancing Front Mapping (AFM), a provably robust algorithm for the computation of surface mappings to simple base domains. Given an input mesh and a convex or star-shaped target domain, AFM installs a (possibly refined) version of the input connectivity into the target shape, generating a piece-wise linear mapping between them. The algorithm is inspired by the advancing front meshing paradigm, which is revisited to operate on two embeddings at once, thus becoming a tool for compatible mesh generation. AFM extends the capabilities of existing robust approaches, such as Tutte or Progressive Embedding, by providing the same theoretical guarantees of injectivity and at the same time introducing two key advantages: support for a broader set of target domains (star-shaped polygons) and local mesh refinement, which is used to automatically open the space of solutions in case a valid mapping to the target domain does not exist. AFM relies solely on two topological operators (split and flip), and on the computation of segment intersections, thus permitting to compute provably injective mappings without solving any numerical problem. This makes the algorithm predictable, easy to implement, debug and deploy. We validated the capabilities of AFM extensively, executing more than one billion advancing front moves on 36K mapping tasks, proving that our theoretical guarantees nicely transition to a robust and practical implementation.
Stability arguments are often used to prevent learning algorithms from having ever increasing activity and weights that hinder generalization. However, stability conditions can clash with the sparsity required to augment the energy efficiency of spiking neurons. Nonetheless it can also provide solutions. In fact, spiking Neuromorphic Computing uses binary activity to improve Artificial Intelligence energy efficiency. However, its non-smoothness requires approximate gradients, known as Surrogate Gradients (SG), to close the performance gap with Deep Learning. Several SG have been proposed in the literature, but it remains unclear how to determine the best SG for a given task and network. Thus, we aim at theoretically define the best SG, through stability arguments, to reduce the need for grid search. In fact, we show that more complex tasks and networks need more careful choice of SG, even if overall the derivative of the fast sigmoid tends to outperform the other, for a wide range of learning rates. We therefore design a stability based theoretical method to choose initialization and SG shape before training on the most common spiking neuron, the Leaky Integrate and Fire (LIF). Since our stability method suggests the use of high firing rates at initialization, which is non-standard in the neuromorphic literature, we show that high initial firing rates, combined with a sparsity encouraging loss term introduced gradually, can lead to better generalization, depending on the SG shape. Our stability based theoretical solution, finds a SG and initialization that experimentally result in improved accuracy. We show how it can be used to reduce the need of extensive grid-search of dampening, sharpness and tail-fatness of the SG. We also show that our stability concepts can be extended to be applicable on different LIF variants, such as DECOLLE and fluctuations-driven initializations.
The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.
The information bottleneck (IB) method is a technique for extracting information that is relevant for predicting the target random variable from the source random variable, which is typically implemented by optimizing the IB Lagrangian that balances the compression and prediction terms. However, the IB Lagrangian is hard to optimize, and multiple trials for tuning values of Lagrangian multiplier are required. Moreover, we show that the prediction performance strictly decreases as the compression gets stronger during optimizing the IB Lagrangian. In this paper, we implement the IB method from the perspective of supervised disentangling. Specifically, we introduce Disentangled Information Bottleneck (DisenIB) that is consistent on compressing source maximally without target prediction performance loss (maximum compression). Theoretical and experimental results demonstrate that our method is consistent on maximum compression, and performs well in terms of generalization, robustness to adversarial attack, out-of-distribution detection, and supervised disentangling.
The aim of this work is to develop a fully-distributed algorithmic framework for training graph convolutional networks (GCNs). The proposed method is able to exploit the meaningful relational structure of the input data, which are collected by a set of agents that communicate over a sparse network topology. After formulating the centralized GCN training problem, we first show how to make inference in a distributed scenario where the underlying data graph is split among different agents. Then, we propose a distributed gradient descent procedure to solve the GCN training problem. The resulting model distributes computation along three lines: during inference, during back-propagation, and during optimization. Convergence to stationary solutions of the GCN training problem is also established under mild conditions. Finally, we propose an optimization criterion to design the communication topology between agents in order to match with the graph describing data relationships. A wide set of numerical results validate our proposal. To the best of our knowledge, this is the first work combining graph convolutional neural networks with distributed optimization.
It is important to detect anomalous inputs when deploying machine learning systems. The use of larger and more complex inputs in deep learning magnifies the difficulty of distinguishing between anomalous and in-distribution examples. At the same time, diverse image and text data are available in enormous quantities. We propose leveraging these data to improve deep anomaly detection by training anomaly detectors against an auxiliary dataset of outliers, an approach we call Outlier Exposure (OE). This enables anomaly detectors to generalize and detect unseen anomalies. In extensive experiments on natural language processing and small- and large-scale vision tasks, we find that Outlier Exposure significantly improves detection performance. We also observe that cutting-edge generative models trained on CIFAR-10 may assign higher likelihoods to SVHN images than to CIFAR-10 images; we use OE to mitigate this issue. We also analyze the flexibility and robustness of Outlier Exposure, and identify characteristics of the auxiliary dataset that improve performance.
We investigate a lattice-structured LSTM model for Chinese NER, which encodes a sequence of input characters as well as all potential words that match a lexicon. Compared with character-based methods, our model explicitly leverages word and word sequence information. Compared with word-based methods, lattice LSTM does not suffer from segmentation errors. Gated recurrent cells allow our model to choose the most relevant characters and words from a sentence for better NER results. Experiments on various datasets show that lattice LSTM outperforms both word-based and character-based LSTM baselines, achieving the best results.
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