How to automatically design better machine learning programs is an open problem within AutoML. While evolution has been a popular tool to search for better ML programs, using learning itself to guide the search has been less successful and less understood on harder problems but has the promise to dramatically increase the speed and final performance of the optimization process. We propose guiding evolution with a binary discriminator, trained online to distinguish which program is better given a pair of programs. The discriminator selects better programs without having to perform a costly evaluation and thus speed up the convergence of evolution. Our method can encode a wide variety of ML components including symbolic optimizers, neural architectures, RL loss functions, and symbolic regression equations with the same directed acyclic graph representation. By combining this representation with modern GNNs and an adaptive mutation strategy, we demonstrate our method can speed up evolution across a set of diverse problems including a 3.7x speedup on the symbolic search for ML optimizers and a 4x speedup for RL loss functions.
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In many applications, a combinatorial problem must be repeatedly solved with similar, but distinct parameters. Yet, the parameters $w$ are not directly observed; only contextual data $d$ that correlates with $w$ is available. It is tempting to use a neural network to predict $w$ given $d$. However, training such a model requires reconciling the discrete nature of combinatorial optimization with the gradient-based frameworks used to train neural networks. When the problem in question is an Integer Linear Program (ILP), one approach to overcome this training issue is to consider a continuous relaxation of the combinatorial problem. While existing methods utilizing this approach have shown to be highly effective on small problems, they do not always scale well to large problems. In this work, we draw on ideas from modern convex optimization to design a network and training scheme which scales effortlessly to problems with thousands of variables. Our experiments verify the computational advantage our proposed method enjoys on two representative problems, namely the shortest path problem and the knapsack problem.
For performance and verification in machine learning, new methods have recently been proposed that optimise learning systems to satisfy formally expressed logical properties. Among these methods, differentiable logics (DLs) are used to translate propositional or first-order formulae into loss functions deployed for optimisation in machine learning. At the same time, recent attempts to give programming language support for verification of neural networks showed that DLs can be used to compile verification properties to machine-learning backends. This situation is calling for stronger guarantees about the soundness of such compilers, the soundness and compositionality of DLs, and the differentiability and performance of the resulting loss functions. In this paper, we propose an approach to formalise existing DLs using the Mathematical Components library in the Coq proof assistant. Thanks to this formalisation, we are able to give uniform semantics to otherwise disparate DLs, give formal proofs to existing informal arguments, find errors in previous work, and provide formal proofs to missing conjectured properties. This work is meant as a stepping stone for the development of programming language support for verification of machine learning.
Cross-modal retrieval (CMR) aims to establish interaction between different modalities, among which supervised CMR is emerging due to its flexibility in learning semantic category discrimination. Despite the remarkable performance of previous supervised CMR methods, much of their success can be attributed to the well-annotated data. However, even for unimodal data, precise annotation is expensive and time-consuming, and it becomes more challenging with the multimodal scenario. In practice, massive multimodal data are collected from the Internet with coarse annotation, which inevitably introduces noisy labels. Training with such misleading labels would bring two key challenges -- enforcing the multimodal samples to \emph{align incorrect semantics} and \emph{widen the heterogeneous gap}, resulting in poor retrieval performance. To tackle these challenges, this work proposes UOT-RCL, a Unified framework based on Optimal Transport (OT) for Robust Cross-modal Retrieval. First, we propose a semantic alignment based on partial OT to progressively correct the noisy labels, where a novel cross-modal consistent cost function is designed to blend different modalities and provide precise transport cost. Second, to narrow the discrepancy in multi-modal data, an OT-based relation alignment is proposed to infer the semantic-level cross-modal matching. Both of these two components leverage the inherent correlation among multi-modal data to facilitate effective cost function. The experiments on three widely-used cross-modal retrieval datasets demonstrate that our UOT-RCL surpasses the state-of-the-art approaches and significantly improves the robustness against noisy labels.
Accurate uncertainty measurement is a key step to building robust and reliable machine learning systems. Conformal prediction is a distribution-free uncertainty quantification algorithm popular for its ease of implementation, statistical coverage guarantees, and versatility for underlying forecasters. However, existing conformal prediction algorithms for time series are limited to single-step prediction without considering the temporal dependency. In this paper, we propose a Copula Conformal Prediction algorithm for multivariate, multi-step Time Series forecasting, CopulaCPTS. We prove that CopulaCPTS has finite sample validity guarantee. On several synthetic and real-world multivariate time series datasets, we show that CopulaCPTS produces more calibrated and sharp confidence intervals for multi-step prediction tasks than existing techniques.
Computational modeling plays an essential role in the study of language emergence. It aims to simulate the conditions and learning processes that could trigger the emergence of a structured language within a simulated controlled environment. Several methods have been used to investigate the origin of our language, including agent-based systems, Bayesian agents, genetic algorithms, and rule-based systems. This chapter explores another class of computational models that have recently revolutionized the field of machine learning: deep learning models. The chapter introduces the basic concepts of deep and reinforcement learning methods and summarizes their helpfulness for simulating language emergence. It also discusses the key findings, limitations, and recent attempts to build realistic simulations. This chapter targets linguists and cognitive scientists seeking an introduction to deep learning as a tool to investigate language evolution.
Recently, contrastive learning (CL) has emerged as a successful method for unsupervised graph representation learning. Most graph CL methods first perform stochastic augmentation on the input graph to obtain two graph views and maximize the agreement of representations in the two views. Despite the prosperous development of graph CL methods, the design of graph augmentation schemes -- a crucial component in CL -- remains rarely explored. We argue that the data augmentation schemes should preserve intrinsic structures and attributes of graphs, which will force the model to learn representations that are insensitive to perturbation on unimportant nodes and edges. However, most existing methods adopt uniform data augmentation schemes, like uniformly dropping edges and uniformly shuffling features, leading to suboptimal performance. In this paper, we propose a novel graph contrastive representation learning method with adaptive augmentation that incorporates various priors for topological and semantic aspects of the graph. Specifically, on the topology level, we design augmentation schemes based on node centrality measures to highlight important connective structures. On the node attribute level, we corrupt node features by adding more noise to unimportant node features, to enforce the model to recognize underlying semantic information. We perform extensive experiments of node classification on a variety of real-world datasets. Experimental results demonstrate that our proposed method consistently outperforms existing state-of-the-art baselines and even surpasses some supervised counterparts, which validates the effectiveness of the proposed contrastive framework with adaptive augmentation.
Spectral clustering (SC) is a popular clustering technique to find strongly connected communities on a graph. SC can be used in Graph Neural Networks (GNNs) to implement pooling operations that aggregate nodes belonging to the same cluster. However, the eigendecomposition of the Laplacian is expensive and, since clustering results are graph-specific, pooling methods based on SC must perform a new optimization for each new sample. In this paper, we propose a graph clustering approach that addresses these limitations of SC. We formulate a continuous relaxation of the normalized minCUT problem and train a GNN to compute cluster assignments that minimize this objective. Our GNN-based implementation is differentiable, does not require to compute the spectral decomposition, and learns a clustering function that can be quickly evaluated on out-of-sample graphs. From the proposed clustering method, we design a graph pooling operator that overcomes some important limitations of state-of-the-art graph pooling techniques and achieves the best performance in several supervised and unsupervised tasks.
We propose a novel method for automatic reasoning on knowledge graphs based on debate dynamics. The main idea is to frame the task of triple classification as a debate game between two reinforcement learning agents which extract arguments -- paths in the knowledge graph -- with the goal to promote the fact being true (thesis) or the fact being false (antithesis), respectively. Based on these arguments, a binary classifier, called the judge, decides whether the fact is true or false. The two agents can be considered as sparse, adversarial feature generators that present interpretable evidence for either the thesis or the antithesis. In contrast to other black-box methods, the arguments allow users to get an understanding of the decision of the judge. Since the focus of this work is to create an explainable method that maintains a competitive predictive accuracy, we benchmark our method on the triple classification and link prediction task. Thereby, we find that our method outperforms several baselines on the benchmark datasets FB15k-237, WN18RR, and Hetionet. We also conduct a survey and find that the extracted arguments are informative for users.
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.
Recently, deep learning has achieved very promising results in visual object tracking. Deep neural networks in existing tracking methods require a lot of training data to learn a large number of parameters. However, training data is not sufficient for visual object tracking as annotations of a target object are only available in the first frame of a test sequence. In this paper, we propose to learn hierarchical features for visual object tracking by using tree structure based Recursive Neural Networks (RNN), which have fewer parameters than other deep neural networks, e.g. Convolutional Neural Networks (CNN). First, we learn RNN parameters to discriminate between the target object and background in the first frame of a test sequence. Tree structure over local patches of an exemplar region is randomly generated by using a bottom-up greedy search strategy. Given the learned RNN parameters, we create two dictionaries regarding target regions and corresponding local patches based on the learned hierarchical features from both top and leaf nodes of multiple random trees. In each of the subsequent frames, we conduct sparse dictionary coding on all candidates to select the best candidate as the new target location. In addition, we online update two dictionaries to handle appearance changes of target objects. Experimental results demonstrate that our feature learning algorithm can significantly improve tracking performance on benchmark datasets.
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