ReLU neural networks have been modelled as constraints in mixed integer linear programming (MILP), enabling surrogate-based optimisation in various domains and efficient solution of machine learning certification problems. However, previous works are mostly limited to MLPs. Graph neural networks (GNNs) can learn from non-euclidean data structures such as molecular structures efficiently and are thus highly relevant to computer-aided molecular design (CAMD). We propose a bilinear formulation for ReLU Graph Convolutional Neural Networks and a MILP formulation for ReLU GraphSAGE models. These formulations enable solving optimisation problems with trained GNNs embedded to global optimality. We apply our optimization approach to an illustrative CAMD case study where the formulations of the trained GNNs are used to design molecules with optimal boiling points.
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Networking：IFIP International Conferences on Networking。
Explanation：國際網絡會議。
Publisher：IFIP。
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Many stochastic continuous-state dynamical systems can be modeled as probabilistic programs with nonlinear non-polynomial updates in non-nested loops. We present two methods, one approximate and one exact, to automatically compute, without sampling, moment-based invariants for such probabilistic programs as closed-form solutions parameterized by the loop iteration. The exact method applies to probabilistic programs with trigonometric and exponential updates and is embedded in the Polar tool. The approximate method for moment computation applies to any nonlinear random function as it exploits the theory of polynomial chaos expansion to approximate non-polynomial updates as the sum of orthogonal polynomials. This translates the dynamical system to a non-nested loop with polynomial updates, and thus renders it conformable with the Polar tool that computes the moments of any order of the state variables. We evaluate our methods on an extensive number of examples ranging from modeling monetary policy to several physical motion systems in uncertain environments. The experimental results demonstrate the advantages of our approach with respect to the current state-of-the-art.
Recently, semidefinite programming (SDP) techniques have shown great promise in providing accurate Lipschitz bounds for neural networks. Specifically, the LipSDP approach (Fazlyab et al., 2019) has received much attention and provides the least conservative Lipschitz upper bounds that can be computed with polynomial time guarantees. However, one main restriction of LipSDP is that its formulation requires the activation functions to be slope-restricted on $[0,1]$, preventing its further use for more general activation functions such as GroupSort, MaxMin, and Householder. One can rewrite MaxMin activations for example as residual ReLU networks. However, a direct application of LipSDP to the resultant residual ReLU networks is conservative and even fails in recovering the well-known fact that the MaxMin activation is 1-Lipschitz. Our paper bridges this gap and extends LipSDP beyond slope-restricted activation functions. To this end, we provide novel quadratic constraints for GroupSort, MaxMin, and Householder activations via leveraging their underlying properties such as sum preservation. Our proposed analysis is general and provides a unified approach for estimating $\ell_2$ and $\ell_\infty$ Lipschitz bounds for a rich class of neural network architectures, including non-residual and residual neural networks and implicit models, with GroupSort, MaxMin, and Householder activations. Finally, we illustrate the utility of our approach with a variety of experiments and show that our proposed SDPs generate less conservative Lipschitz bounds in comparison to existing approaches.
Convolutional neural networks have shown to be widely applicable to a large number of fields when large amounts of labelled data are available. The recent trend has been to use models with increasingly larger sets of tunable parameters to increase model accuracy, reduce model loss, or create more adversarially robust models -- goals that are often at odds with one another. In particular, recent theoretical work raises questions about the ability for even larger models to generalize to data outside of the controlled train and test sets. As such, we examine the role of the number of hidden layers in the ResNet model, demonstrated on the MNIST, CIFAR10, CIFAR100 datasets. We test a variety of parameters including the size of the model, the floating point precision, and the noise level of both the training data and the model output. To encapsulate the model's predictive power and computational cost, we provide a method that uses induced failures to model the probability of failure as a function of time and relate that to a novel metric that allows us to quickly determine whether or not the cost of training a model outweighs the cost of attacking it. Using this approach, we are able to approximate the expected failure rate using a small number of specially crafted samples rather than increasingly larger benchmark datasets. We demonstrate the efficacy of this technique on both the MNIST and CIFAR10 datasets using 8-, 16-, 32-, and 64-bit floating-point numbers, various data pre-processing techniques, and several attacks on five configurations of the ResNet model. Then, using empirical measurements, we examine the various trade-offs between cost, robustness, latency, and reliability to find that larger models do not significantly aid in adversarial robustness despite costing significantly more to train.
In practical communication systems, knowledge of channel models is often absent, and consequently, transceivers need be designed based on empirical data. In this work, we study data-driven approaches to reliably choosing decoding metrics and code rates that facilitate reliable communication over unknown discrete memoryless channels (DMCs). Our analysis is inspired by the PAC learning theory and does not rely on any assumptions on the statistical characteristics of DMCs. We show that a naive plug-in algorithm for choosing decoding metrics is likely to fail for finite training sets. We propose an alternative algorithm called the virtual sample algorithm and establish a non-asymptotic lower bound on its performance. The virtual sample algorithm is then used as a building block for constructing a learning algorithm that chooses a decoding metric and a code rate using which a transmitter and a receiver can reliably communicate at a rate arbitrarily close to the channel mutual information. Therefore, we conclude that DMCs are PAC learnable.
We consider the fundamental task of network exploration. A network is modeled as a simple connected undirected n-node graph with unlabeled nodes, and all ports at any node of degree d are arbitrarily numbered 0,.....,d-1. Each of two identical mobile agents, initially situated at distinct nodes, has to visit all nodes and stop. Agents execute the same deterministic algorithm and move in synchronous rounds: in each round, an agent can either remain at the same node or move to an adjacent node. Exploration must be collision-free: in every round at most one agent can be at any node. We assume that agents have vision of radius 2: an awake agent situated at a node v can see the subgraph induced by all nodes at a distance at most 2 from v, sees all port numbers in this subgraph, and the agents located at these nodes. Agents do not know the entire graph but they know an upper bound n on its size. The time of an exploration is the number of rounds since the wakeup of the later agent to the termination by both agents. We show a collision-free exploration algorithm working in time polynomial in n, for arbitrary graphs of size larger than 2. Moreover, we show that if agents have only vision of radius 1, then collision-free exploration is impossible, e.g., in any tree of diameter 2.
Entity alignment (EA), a pivotal process in integrating multi-source Knowledge Graphs (KGs), seeks to identify equivalent entity pairs across these graphs. Most existing approaches regard EA as a graph representation learning task, concentrating on enhancing graph encoders. However, the decoding process in EA - essential for effective operation and alignment accuracy - has received limited attention and remains tailored to specific datasets and model architectures, necessitating both entity and additional explicit relation embeddings. This specificity limits its applicability, particularly in GNN-based models. To address this gap, we introduce a novel, generalized, and efficient decoding approach for EA, relying solely on entity embeddings. Our method optimizes the decoding process by minimizing Dirichlet energy, leading to the gradient flow within the graph, to promote graph homophily. The discretization of the gradient flow produces a fast and scalable approach, termed Triple Feature Propagation (TFP). TFP innovatively channels gradient flow through three views: entity-to-entity, entity-to-relation, and relation-to-entity. This generalized gradient flow enables TFP to harness the multi-view structural information of KGs. Rigorous experimentation on diverse real-world datasets demonstrates that our approach significantly enhances various EA methods. Notably, the approach achieves these advancements with less than 6 seconds of additional computational time, establishing a new benchmark in efficiency and adaptability for future EA methods.
Establishing evaluation schemes for spoken dialogue systems is important, but it can also be challenging. While subjective evaluations are commonly used in user experiments, objective evaluations are necessary for research comparison and reproducibility. To address this issue, we propose a framework for indirectly but objectively evaluating systems based on users' behaviors. In this paper, to this end, we investigate the relationship between user behaviors and subjective evaluation scores in social dialogue tasks: attentive listening, job interview, and first-meeting conversation. The results reveal that in dialogue tasks where user utterances are primary, such as attentive listening and job interview, indicators like the number of utterances and words play a significant role in evaluation. Observing disfluency also can indicate the effectiveness of formal tasks, such as job interview. On the other hand, in dialogue tasks with high interactivity, such as first-meeting conversation, behaviors related to turn-taking, like average switch pause length, become more important. These findings suggest that selecting appropriate user behaviors can provide valuable insights for objective evaluation in each social dialogue task.
High spectral dimensionality and the shortage of annotations make hyperspectral image (HSI) classification a challenging problem. Recent studies suggest that convolutional neural networks can learn discriminative spatial features, which play a paramount role in HSI interpretation. However, most of these methods ignore the distinctive spectral-spatial characteristic of hyperspectral data. In addition, a large amount of unlabeled data remains an unexploited gold mine for efficient data use. Therefore, we proposed an integration of generative adversarial networks (GANs) and probabilistic graphical models for HSI classification. Specifically, we used a spectral-spatial generator and a discriminator to identify land cover categories of hyperspectral cubes. Moreover, to take advantage of a large amount of unlabeled data, we adopted a conditional random field to refine the preliminary classification results generated by GANs. Experimental results obtained using two commonly studied datasets demonstrate that the proposed framework achieved encouraging classification accuracy using a small number of data for training.
Deep neural networks (DNNs) have been found to be vulnerable to adversarial examples resulting from adding small-magnitude perturbations to inputs. Such adversarial examples can mislead DNNs to produce adversary-selected results. Different attack strategies have been proposed to generate adversarial examples, but how to produce them with high perceptual quality and more efficiently requires more research efforts. In this paper, we propose AdvGAN to generate adversarial examples with generative adversarial networks (GANs), which can learn and approximate the distribution of original instances. For AdvGAN, once the generator is trained, it can generate adversarial perturbations efficiently for any instance, so as to potentially accelerate adversarial training as defenses. We apply AdvGAN in both semi-whitebox and black-box attack settings. In semi-whitebox attacks, there is no need to access the original target model after the generator is trained, in contrast to traditional white-box attacks. In black-box attacks, we dynamically train a distilled model for the black-box model and optimize the generator accordingly. Adversarial examples generated by AdvGAN on different target models have high attack success rate under state-of-the-art defenses compared to other attacks. Our attack has placed the first with 92.76% accuracy on a public MNIST black-box attack challenge.
In this paper, we propose the joint learning attention and recurrent neural network (RNN) models for multi-label classification. While approaches based on the use of either model exist (e.g., for the task of image captioning), training such existing network architectures typically require pre-defined label sequences. For multi-label classification, it would be desirable to have a robust inference process, so that the prediction error would not propagate and thus affect the performance. Our proposed model uniquely integrates attention and Long Short Term Memory (LSTM) models, which not only addresses the above problem but also allows one to identify visual objects of interests with varying sizes without the prior knowledge of particular label ordering. More importantly, label co-occurrence information can be jointly exploited by our LSTM model. Finally, by advancing the technique of beam search, prediction of multiple labels can be efficiently achieved by our proposed network model.
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