Scalable addressing of high dimensional constrained combinatorial optimization problems is a challenge that arises in several science and engineering disciplines. Recent work introduced novel application of graph neural networks for solving polynomial-cost unconstrained combinatorial optimization problems. This paper proposes a new framework, called HypOp, which greatly advances the state of the art for solving combinatorial optimization problems in several aspects: (i) it generalizes the prior results to constrained optimization problems with an arbitrary cost function; (ii) it broadens the application to higher dimensional problems by leveraging a hypergraph neural network structure; (iii) it enables scalability to much larger problems by introducing a new distributed and parallel architecture for hypergraph neural network training; (iv) it demonstrates generalizability to other problem formulations by knowledge transfer from the learned experience of addressing one set of cost/constraints to another set for the same hypergraph; (v) it significantly boosts the solution accuracy compared with the prior art by suggesting a fine-tuning step using simulated annealing; (vi) HypOp shows a remarkable progress on benchmark examples, with run times improved by up to fivefold using a combination of fine-tuning and distributed training techniques. The framework allows addressing a novel set of scientific problems including hypergraph MaxCut problem, satisfiability problems (3SAT), and resource allocation. We showcase the application of HypOp in scientific discovery by solving a hypergraph MaxCut problem on the NDC drug-substance hypergraph. Through extensive experimentation on a variety of combinatorial optimization problems, HypOp demonstrates superiority over existing unsupervised learning-based solvers and generic optimization methods.
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We consider the generalization error associated with stochastic gradient descent on a smooth convex function over a compact set. We show the first bound on the generalization error that vanishes when the number of iterations $T$ and the dataset size $n$ go to zero at arbitrary rates; our bound scales as $\tilde{O}(1/\sqrt{T} + 1/\sqrt{n})$ with step-size $\alpha_t = 1/\sqrt{t}$. In particular, strong convexity is not needed for stochastic gradient descent to generalize well.
Causal effect estimation from observational data is a central problem in causal inference. Methods based on potential outcomes framework solve this problem by exploiting inductive biases and heuristics from causal inference. Each of these methods addresses a specific aspect of causal effect estimation, such as controlling propensity score, enforcing randomization, etc., by designing neural network (NN) architectures and regularizers. In this paper, we propose an adaptive method called Neurosymbolic Causal Effect Estimator (NESTER), a generalized method for causal effect estimation. NESTER integrates the ideas used in existing methods based on multi-head NNs for causal effect estimation into one framework. We design a Domain Specific Language (DSL) tailored for causal effect estimation based on causal inductive biases used in literature. We conduct a theoretical analysis to investigate NESTER's efficacy in estimating causal effects. Our comprehensive empirical results show that NESTER performs better than state-of-the-art methods on benchmark datasets.
Neuron labeling is an approach to visualize the behaviour and respond of a certain neuron to a certain pattern that activates the neuron. Neuron labeling extract information about the features captured by certain neurons in a deep neural network, one of which uses the encoder-decoder image captioning approach. The encoder used can be a pretrained CNN-based model and the decoder is an RNN-based model for text generation. Previous work, namely MILAN (Mutual Information-guided Linguistic Annotation of Neuron), has tried to visualize the neuron behaviour using modified Show, Attend, and Tell (SAT) model in the encoder, and LSTM added with Bahdanau attention in the decoder. MILAN can show great result on short sequence neuron captioning, but it does not show great result on long sequence neuron captioning, so in this work, we would like to improve the performance of MILAN even more by utilizing different kind of attention mechanism and additionally adding several attention result into one, in order to combine all the advantages from several attention mechanism. Using our compound dataset, we obtained higher BLEU and F1-Score on our proposed model, achieving 17.742 and 0.4811 respectively. At some point where the model converges at the peak, our model obtained BLEU of 21.2262 and BERTScore F1-Score of 0.4870.
We introduce a new framework of adversarial attacks, named calibration attacks, in which the attacks are generated and organized to trap victim models to be miscalibrated without altering their original accuracy, hence seriously endangering the trustworthiness of the models and any decision-making based on their confidence scores. Specifically, we identify four novel forms of calibration attacks: underconfidence attacks, overconfidence attacks, maximum miscalibration attacks, and random confidence attacks, in both the black-box and white-box setups. We then test these new attacks on typical victim models with comprehensive datasets, demonstrating that even with a relatively low number of queries, the attacks can create significant calibration mistakes. We further provide detailed analyses to understand different aspects of calibration attacks. Building on that, we investigate the effectiveness of widely used adversarial defences and calibration methods against these types of attacks, which then inspires us to devise two novel defences against such calibration attacks.
In order to further advance the accuracy and robustness of the incremental parameter estimation-based rotation averaging methods, in this paper, a new member of the Incremental Rotation Averaging (IRA) family is introduced, which is termed as IRAv4. As the most significant feature of the IRAv4, a task-specific connected dominating set is extracted to serve as a more reliable and accurate reference for rotation global alignment. In addition, to further address the limitations of the existing rotation averaging benchmark of relying on the slightly outdated Bundler camera calibration results as ground truths and focusing solely on rotation estimation accuracy, this paper presents a new COLMAP-based rotation averaging benchmark that incorporates a cross check between COLMAP and Bundler, and employ the accuracy of both rotation and downstream location estimation as evaluation metrics, which is desired to provide a more reliable and comprehensive evaluation tool for the rotation averaging research. Comprehensive comparisons between the proposed IRAv4 and other mainstream rotation averaging methods on this new benchmark demonstrate the effectiveness of our proposed approach.
Diffusion-based purification defenses leverage diffusion models to remove crafted perturbations of adversarial examples and achieve state-of-the-art robustness. Recent studies show that even advanced attacks cannot break such defenses effectively, since the purification process induces an extremely deep computational graph which poses the potential problem of gradient obfuscation, high memory cost, and unbounded randomness. In this paper, we propose a unified framework DiffAttack to perform effective and efficient attacks against diffusion-based purification defenses, including both DDPM and score-based approaches. In particular, we propose a deviated-reconstruction loss at intermediate diffusion steps to induce inaccurate density gradient estimation to tackle the problem of vanishing/exploding gradients. We also provide a segment-wise forwarding-backwarding algorithm, which leads to memory-efficient gradient backpropagation. We validate the attack effectiveness of DiffAttack compared with existing adaptive attacks on CIFAR-10 and ImageNet. We show that DiffAttack decreases the robust accuracy of models compared with SOTA attacks by over 20% on CIFAR-10 under $\ell_\infty$ attack $(\epsilon=8/255)$, and over 10% on ImageNet under $\ell_\infty$ attack $(\epsilon=4/255)$. We conduct a series of ablations studies, and we find 1) DiffAttack with the deviated-reconstruction loss added over uniformly sampled time steps is more effective than that added over only initial/final steps, and 2) diffusion-based purification with a moderate diffusion length is more robust under DiffAttack.
Learning disentanglement aims at finding a low dimensional representation which consists of multiple explanatory and generative factors of the observational data. The framework of variational autoencoder (VAE) is commonly used to disentangle independent factors from observations. However, in real scenarios, factors with semantics are not necessarily independent. Instead, there might be an underlying causal structure which renders these factors dependent. We thus propose a new VAE based framework named CausalVAE, which includes a Causal Layer to transform independent exogenous factors into causal endogenous ones that correspond to causally related concepts in data. We further analyze the model identifiabitily, showing that the proposed model learned from observations recovers the true one up to a certain degree. Experiments are conducted on various datasets, including synthetic and real word benchmark CelebA. Results show that the causal representations learned by CausalVAE are semantically interpretable, and their causal relationship as a Directed Acyclic Graph (DAG) is identified with good accuracy. Furthermore, we demonstrate that the proposed CausalVAE model is able to generate counterfactual data through "do-operation" to the causal factors.
Generative commonsense reasoning which aims to empower machines to generate sentences with the capacity of reasoning over a set of concepts is a critical bottleneck for text generation. Even the state-of-the-art pre-trained language generation models struggle at this task and often produce implausible and anomalous sentences. One reason is that they rarely consider incorporating the knowledge graph which can provide rich relational information among the commonsense concepts. To promote the ability of commonsense reasoning for text generation, we propose a novel knowledge graph augmented pre-trained language generation model KG-BART, which encompasses the complex relations of concepts through the knowledge graph and produces more logical and natural sentences as output. Moreover, KG-BART can leverage the graph attention to aggregate the rich concept semantics that enhances the model generalization on unseen concept sets. Experiments on benchmark CommonGen dataset verify the effectiveness of our proposed approach by comparing with several strong pre-trained language generation models, particularly KG-BART outperforms BART by 5.80, 4.60, in terms of BLEU-3, 4. Moreover, we also show that the generated context by our model can work as background scenarios to benefit downstream commonsense QA tasks.
The design of deep graph models still remains to be investigated and the crucial part is how to explore and exploit the knowledge from different hops of neighbors in an efficient way. In this paper, we propose a novel RNN-like deep graph neural network architecture by incorporating AdaBoost into the computation of network; and the proposed graph convolutional network called AdaGCN~(AdaBoosting Graph Convolutional Network) has the ability to efficiently extract knowledge from high-order neighbors and integrate knowledge from different hops of neighbors into the network in an AdaBoost way. We also present the architectural difference between AdaGCN and existing graph convolutional methods to show the benefits of our proposal. Finally, extensive experiments demonstrate the state-of-the-art prediction performance and the computational advantage of our approach AdaGCN.
With the capability of modeling bidirectional contexts, denoising autoencoding based pretraining like BERT achieves better performance than pretraining approaches based on autoregressive language modeling. However, relying on corrupting the input with masks, BERT neglects dependency between the masked positions and suffers from a pretrain-finetune discrepancy. In light of these pros and cons, we propose XLNet, a generalized autoregressive pretraining method that (1) enables learning bidirectional contexts by maximizing the expected likelihood over all permutations of the factorization order and (2) overcomes the limitations of BERT thanks to its autoregressive formulation. Furthermore, XLNet integrates ideas from Transformer-XL, the state-of-the-art autoregressive model, into pretraining. Empirically, XLNet outperforms BERT on 20 tasks, often by a large margin, and achieves state-of-the-art results on 18 tasks including question answering, natural language inference, sentiment analysis, and document ranking.
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