Submodular functions and variants, through their ability to characterize diversity and coverage, have emerged as a key tool for data selection and summarization. Many recent approaches to learn submodular functions suffer from limited expressiveness. In this work, we propose FLEXSUBNET, a family of flexible neural models for both monotone and non-monotone submodular functions. To fit a latent submodular function from (set, value) observations, FLEXSUBNET applies a concave function on modular functions in a recursive manner. We do not draw the concave function from a restricted family, but rather learn from data using a highly expressive neural network that implements a differentiable quadrature procedure. Such an expressive neural model for concave functions may be of independent interest. Next, we extend this setup to provide a novel characterization of monotone \alpha-submodular functions, a recently introduced notion of approximate submodular functions. We then use this characterization to design a novel neural model for such functions. Finally, we consider learning submodular set functions under distant supervision in the form of (perimeter-set, high-value-subset) pairs. This yields a novel subset selection method based on an order-invariant, yet greedy sampler built around the above neural set functions. Our experiments on synthetic and real data show that FLEXSUBNET outperforms several baselines.
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We study the expressibility and learnability of convex optimization solution functions and their multi-layer architectural extension. The main results are: \emph{(1)} the class of solution functions of linear programming (LP) and quadratic programming (QP) is a universal approximant for the $C^k$ smooth model class or some restricted Sobolev space, and we characterize the rate-distortion, \emph{(2)} the approximation power is investigated through a viewpoint of regression error, where information about the target function is provided in terms of data observations, \emph{(3)} compositionality in the form of a deep architecture with optimization as a layer is shown to reconstruct some basic functions used in numerical analysis without error, which implies that \emph{(4)} a substantial reduction in rate-distortion can be achieved with a universal network architecture, and \emph{(5)} we discuss the statistical bounds of empirical covering numbers for LP/QP, as well as a generic optimization problem (possibly nonconvex) by exploiting tame geometry. Our results provide the \emph{first rigorous analysis of the approximation and learning-theoretic properties of solution functions} with implications for algorithmic design and performance guarantees.
This paper investigates the approximation properties of deep neural networks with piecewise-polynomial activation functions. We derive the required depth, width, and sparsity of a deep neural network to approximate any H\"{o}lder smooth function up to a given approximation error in H\"{o}lder norms in such a way that all weights of this neural network are bounded by $1$. The latter feature is essential to control generalization errors in many statistical and machine learning applications.
In many applications, we want to influence the decisions of independent agents by designing incentives for their actions. We revisit a fundamental problem in this area, called GAME IMPLEMENTATION: Given a game in standard form and a set of desired strategies, can we design a set of payment promises such that if the players take the payment promises into account, then all undominated strategies are desired? Furthermore, we aim to minimize the cost, that is, the worst-case amount of payments. We study the tractability of computing such payment promises and determine more closely what obstructions we may have to overcome in doing so. We show that GAME IMPLEMENTATION is NP-hard even for two players, solving in particular a long open question (Eidenbenz et al. 2011) and suggesting more restrictions are necessary to obtain tractability results. We thus study the regime in which players have only a small constant number of strategies and obtain the following. First, this case remains NP-hard even if each player's utility depends only on three others. Second, we repair a flawed efficient algorithm for the case of both small number of strategies and small number of players. Among further results, we characterize sets of desired strategies that can be implemented at zero cost as a kind of stable core of the game.
Understanding the functional principles of information processing in deep neural networks continues to be a challenge, in particular for networks with trained and thus non-random weights. To address this issue, we study the mapping between probability distributions implemented by a deep feed-forward network. We characterize this mapping as an iterated transformation of distributions, where the non-linearity in each layer transfers information between different orders of correlation functions. This allows us to identify essential statistics in the data, as well as different information representations that can be used by neural networks. Applied to an XOR task and to MNIST, we show that correlations up to second order predominantly capture the information processing in the internal layers, while the input layer also extracts higher-order correlations from the data. This analysis provides a quantitative and explainable perspective on classification.
The main challenge for fine-grained few-shot image classification is to learn feature representations with higher inter-class and lower intra-class variations, with a mere few labelled samples. Conventional few-shot learning methods however cannot be naively adopted for this fine-grained setting -- a quick pilot study reveals that they in fact push for the opposite (i.e., lower inter-class variations and higher intra-class variations). To alleviate this problem, prior works predominately use a support set to reconstruct the query image and then utilize metric learning to determine its category. Upon careful inspection, we further reveal that such unidirectional reconstruction methods only help to increase inter-class variations and are not effective in tackling intra-class variations. In this paper, we for the first time introduce a bi-reconstruction mechanism that can simultaneously accommodate for inter-class and intra-class variations. In addition to using the support set to reconstruct the query set for increasing inter-class variations, we further use the query set to reconstruct the support set for reducing intra-class variations. This design effectively helps the model to explore more subtle and discriminative features which is key for the fine-grained problem in hand. Furthermore, we also construct a self-reconstruction module to work alongside the bi-directional module to make the features even more discriminative. Experimental results on three widely used fine-grained image classification datasets consistently show considerable improvements compared with other methods. Codes are available at: //github.com/PRIS-CV/Bi-FRN.
In machine learning and big data, the optimization objectives based on set-cover, entropy, diversity, influence, feature selection, etc. are commonly modeled as submodular functions. Submodular (function) maximization is generally NP-hard, even in the absence of constraints. Recently, submodular maximization has been successfully investigated for the settings where the objective function is monotone or the constraint is computation-tractable. However, maximizing nonmonotone submodular function with complex constraints is not yet well-understood. In this paper, we consider the nonmonotone submodular maximization with a cost budget or feasibility constraint (especially from route planning) that is generally NP-hard to evaluate. Such a problem is common for machine learning, big data, and robotics. This problem is NP-hard, and on top of that, its constraint evaluation is also NP-hard, which adds an additional layer of complexity. So far, few studies have been devoted to proposing effective solutions, making this problem currently unclear. In this paper, we first propose an iterated greedy algorithm, which yields an approximation solution. Then we develop the proof machinery that shows our algorithm is a bi-criterion approximation algorithm: it can achieve a constant-factor approximation to the optimal algorithm, while keeping the over-budget tightly bounded. We also explore practical considerations of achieving a trade-off between time complexity and over-budget. Finally, we conduct numeric experiments on two concrete examples, and show our design's efficacy in practical settings.
In this study, we consider simulation-based worst-case optimization problems with continuous design variables and a finite scenario set. To reduce the number of simulations required and increase the number of restarts for better local optimum solutions, we propose a new approach referred to as adaptive scenario subset selection (AS3). The proposed approach subsamples a scenario subset as a support to construct the worst-case function in a given neighborhood, and we introduce such a scenario subset. Moreover, we develop a new optimization algorithm by combining AS3 and the covariance matrix adaptation evolution strategy (CMA-ES), denoted AS3-CMA-ES. At each algorithmic iteration, a subset of support scenarios is selected, and CMA-ES attempts to optimize the worst-case objective computed only through a subset of the scenarios. The proposed algorithm reduces the number of simulations required by executing simulations on only a scenario subset, rather than on all scenarios. In numerical experiments, we verified that AS3-CMA-ES is more efficient in terms of the number of simulations than the brute-force approach and a surrogate-assisted approach lq-CMA-ES when the ratio of the number of support scenarios to the total number of scenarios is relatively small. In addition, the usefulness of AS3-CMA-ES was evaluated for well placement optimization for carbon dioxide capture and storage (CCS). In comparison with the brute-force approach and lq-CMA-ES, AS3-CMA-ES was able to find better solutions because of more frequent restarts.
Classic algorithms and machine learning systems like neural networks are both abundant in everyday life. While classic computer science algorithms are suitable for precise execution of exactly defined tasks such as finding the shortest path in a large graph, neural networks allow learning from data to predict the most likely answer in more complex tasks such as image classification, which cannot be reduced to an exact algorithm. To get the best of both worlds, this thesis explores combining both concepts leading to more robust, better performing, more interpretable, more computationally efficient, and more data efficient architectures. The thesis formalizes the idea of algorithmic supervision, which allows a neural network to learn from or in conjunction with an algorithm. When integrating an algorithm into a neural architecture, it is important that the algorithm is differentiable such that the architecture can be trained end-to-end and gradients can be propagated back through the algorithm in a meaningful way. To make algorithms differentiable, this thesis proposes a general method for continuously relaxing algorithms by perturbing variables and approximating the expectation value in closed form, i.e., without sampling. In addition, this thesis proposes differentiable algorithms, such as differentiable sorting networks, differentiable renderers, and differentiable logic gate networks. Finally, this thesis presents alternative training strategies for learning with algorithms.
Learning on big data brings success for artificial intelligence (AI), but the annotation and training costs are expensive. In future, learning on small data is one of the ultimate purposes of AI, which requires machines to recognize objectives and scenarios relying on small data as humans. A series of machine learning models is going on this way such as active learning, few-shot learning, deep clustering. However, there are few theoretical guarantees for their generalization performance. Moreover, most of their settings are passive, that is, the label distribution is explicitly controlled by one specified sampling scenario. This survey follows the agnostic active sampling under a PAC (Probably Approximately Correct) framework to analyze the generalization error and label complexity of learning on small data using a supervised and unsupervised fashion. With these theoretical analyses, we categorize the small data learning models from two geometric perspectives: the Euclidean and non-Euclidean (hyperbolic) mean representation, where their optimization solutions are also presented and discussed. Later, some potential learning scenarios that may benefit from small data learning are then summarized, and their potential learning scenarios are also analyzed. Finally, some challenging applications such as computer vision, natural language processing that may benefit from learning on small data are also surveyed.
Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics system, learning molecular fingerprints, predicting protein interface, and classifying diseases require that a model to learn from graph inputs. In other domains such as learning from non-structural data like texts and images, reasoning on extracted structures, like the dependency tree of sentences and the scene graph of images, is an important research topic which also needs graph reasoning models. Graph neural networks (GNNs) are connectionist models that capture the dependence of graphs via message passing between the nodes of graphs. Unlike standard neural networks, graph neural networks retain a state that can represent information from its neighborhood with an arbitrary depth. Although the primitive graph neural networks have been found difficult to train for a fixed point, recent advances in network architectures, optimization techniques, and parallel computation have enabled successful learning with them. In recent years, systems based on graph convolutional network (GCN) and gated graph neural network (GGNN) have demonstrated ground-breaking performance on many tasks mentioned above. In this survey, we provide a detailed review over existing graph neural network models, systematically categorize the applications, and propose four open problems for future research.
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