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Domain adaptation aims to mitigate distribution shifts among different domains. However, traditional formulations are mostly limited to categorical domains, greatly simplifying nuanced domain relationships in the real world. In this work, we tackle a generalization with taxonomy-structured domains, which formalizes domains with nested, hierarchical similarity structures such as animal species and product catalogs. We build on the classic adversarial framework and introduce a novel taxonomist, which competes with the adversarial discriminator to preserve the taxonomy information. The equilibrium recovers the classic adversarial domain adaptation's solution if given a non-informative domain taxonomy (e.g., a flat taxonomy where all leaf nodes connect to the root node) while yielding non-trivial results with other taxonomies. Empirically, our method achieves state-of-the-art performance on both synthetic and real-world datasets with successful adaptation. Code is available at https://github.com/Wang-ML-Lab/TSDA., Accepted by ICML 2023

Machine learning force fields (MLFF) have been proposed to accelerate molecular dynamics (MD) simulation, which finds widespread applications in chemistry and biomedical research. Even for the most data-efficient MLFFs, reaching chemical accuracy can require hundreds of frames of force and energy labels generated by expensive quantum mechanical algorithms, which may scale as $O(n^3)$ to $O(n^7)$, with $n$ proportional to the number of basis functions. To address this issue, we propose a multi-stage computational framework -- ASTEROID, which lowers the data cost of MLFFs by leveraging a combination of cheap inaccurate data and expensive accurate data. The motivation behind ASTEROID is that inaccurate data, though incurring large bias, can help capture the sophisticated structures of the underlying force field. Therefore, we first train a MLFF model on a large amount of inaccurate training data, employing a bias-aware loss function to prevent the model from overfitting tahe potential bias of this data. We then fine-tune the obtained model using a small amount of accurate training data, which preserves the knowledge learned from the inaccurate training data while significantly improving the model's accuracy. Moreover, we propose a variant of ASTEROID based on score matching for the setting where the inaccurate training data are unlabeled. Extensive experiments on MD datasets and downstream tasks validate the efficacy of ASTEROID. Our code and data are available at https://github.com/abukharin3/asteroid.

As a crucial building block in vertical Federated Learning (vFL), Split Learning (SL) has demonstrated its practice in the two-party model training collaboration, where one party holds the features of data samples and another party holds the corresponding labels. Such method is claimed to be private considering the shared information is only the embedding vectors and gradients instead of private raw data and labels. However, some recent works have shown that the private labels could be leaked by the gradients. These existing attack only works under the classification setting where the private labels are discrete. In this work, we step further to study the leakage in the scenario of the regression model, where the private labels are continuous numbers (instead of discrete labels in classification). This makes previous attacks harder to infer the continuous labels due to the unbounded output range. To address the limitation, we propose a novel learning-based attack that integrates gradient information and extra learning regularization objectives in aspects of model training properties, which can infer the labels under regression settings effectively. The comprehensive experiments on various datasets and models have demonstrated the effectiveness of our proposed attack. We hope our work can pave the way for future analyses that make the vFL framework more secure., Comment: 9 pages

Differentially Private (DP) data release is a promising technique to disseminate data without compromising the privacy of data subjects. However the majority of prior work has focused on scenarios where a single party owns all the data. In this paper we focus on the multi-party setting, where different stakeholders own disjoint sets of attributes belonging to the same group of data subjects. Within the context of linear regression that allow all parties to train models on the complete data without the ability to infer private attributes or identities of individuals, we start with directly applying Gaussian mechanism and show it has the small eigenvalue problem. We further propose our novel method and prove it asymptotically converges to the optimal (non-private) solutions with increasing dataset size. We substantiate the theoretical results through experiments on both artificial and real-world datasets., UAI 2022

Point process models are of great importance in real world applications. In certain critical applications, estimation of point process models involves large amounts of sensitive personal data from users. Privacy concerns naturally arise which have not been addressed in the existing literature. To bridge this glaring gap, we propose the first general differentially private estimation procedure for point process models. Specifically, we take the Hawkes process as an example, and introduce a rigorous definition of differential privacy for event stream data based on a discretized representation of the Hawkes process. We then propose two differentially private optimization algorithms, which can efficiently estimate Hawkes process models with the desired privacy and utility guarantees under two different settings. Experiments are provided to back up our theoretical analysis.

We investigate the role of noise in optimization algorithms for learning over-parameterized models. Specifically, we consider the recovery of a rank one matrix $Y^*\in R^{d\times d}$ from a noisy observation $Y$ using an over-parameterization model. We parameterize the rank one matrix $Y^*$ by $XX^\top$, where $X\in R^{d\times d}$. We then show that under mild conditions, the estimator, obtained by the randomly perturbed gradient descent algorithm using the square loss function, attains a mean square error of $O(\sigma^2/d)$, where $\sigma^2$ is the variance of the observational noise. In contrast, the estimator obtained by gradient descent without random perturbation only attains a mean square error of $O(\sigma^2)$. Our result partially justifies the implicit regularization effect of noise when learning over-parameterized models, and provides new understanding of training over-parameterized neural networks.

Most existing vision-language pre-training methods focus on understanding tasks and use BERT-like objectives (masked language modeling and image-text matching) during pretraining. Although they perform well in many understanding downstream tasks, e.g., visual question answering, image-text retrieval and visual entailment, they do not possess the ability to generate. To tackle this problem, we propose Unified multimodal pre-training for both Vision-Language understanding and generation (UniVL). The proposed UniVL is capable of handling both understanding tasks and generative tasks. We augment existing pretraining paradigms that only use random masks with causal masks, i.e., triangular masks that mask out future tokens, such that the pre-trained models can have autoregressive generation abilities by design. We formulate several previous understanding tasks as a text generation task and propose to use prompt-based method for fine-tuning on different downstream tasks. Our experiments show that there is a trade-off between understanding tasks and generation tasks while using the same model, and a feasible way to improve both tasks is to use more data. Our UniVL framework attains comparable performance to recent vision-language pre-training methods on both understanding tasks and generation tasks. Moreover, we demostrate that prompt-based finetuning is more data-efficient - it outperforms discriminative methods in few-shot scenarios.

Numerous empirical evidences have corroborated the importance of noise in nonconvex optimization problems. The theory behind such empirical observations, however, is still largely unknown. This paper studies this fundamental problem through investigating the nonconvex rectangular matrix factorization problem, which has infinitely many global minima due to rotation and scaling invariance. Hence, gradient descent (GD) can converge to any optimum, depending on the initialization. In contrast, we show that a perturbed form of GD with an arbitrary initialization converges to a global optimum that is uniquely determined by the injected noise. Our result implies that the noise imposes implicit bias towards certain optima. Numerical experiments are provided to support our theory.

Generative Adversarial Imitation Learning (GAIL) is a powerful and practical approach for learning sequential decision-making policies. Different from Reinforcement Learning (RL), GAIL takes advantage of demonstration data by experts (e.g., human), and learns both the policy and reward function of the unknown environment. Despite the significant empirical progresses, the theory behind GAIL is still largely unknown. The major difficulty comes from the underlying temporal dependency of the demonstration data and the minimax computational formulation of GAIL without convex-concave structure. To bridge such a gap between theory and practice, this paper investigates the theoretical properties of GAIL. Specifically, we show: (1) For GAIL with general reward parameterization, the generalization can be guaranteed as long as the class of the reward functions is properly controlled; (2) For GAIL, where the reward is parameterized as a reproducing kernel function, GAIL can be efficiently solved by stochastic first order optimization algorithms, which attain sublinear convergence to a stationary solution. To the best of our knowledge, these are the first results on statistical and computational guarantees of imitation learning with reward/policy function approximation. Numerical experiments are provided to support our analysis.

Residual Network (ResNet) is undoubtedly a milestone in deep learning. ResNet is equipped with shortcut connections between layers, and exhibits efficient training using simple first order algorithms. Despite of the great empirical success, the reason behind is far from being well understood. In this paper, we study a two-layer non-overlapping convolutional ResNet. Training such a network requires solving a non-convex optimization problem with a spurious local optimum. We show, however, that gradient descent combined with proper normalization, avoids being trapped by the spurious local optimum, and converges to a global optimum in polynomial time, when the weight of the first layer is initialized at 0, and that of the second layer is initialized arbitrarily in a ball. Numerical experiments are provided to support our theory., Thirty-third Conference on Neural Information Processing Systems, 2019

Numerous empirical evidence has corroborated that the noise plays a crucial rule in effective and efficient training of neural networks. The theory behind, however, is still largely unknown. This paper studies this fundamental problem through training a simple two-layer convolutional neural network model. Although training such a network requires solving a nonconvex optimization problem with a spurious local optimum and a global optimum, we prove that perturbed gradient descent and perturbed mini-batch stochastic gradient algorithms in conjunction with noise annealing is guaranteed to converge to a global optimum in polynomial time with arbitrary initialization. This implies that the noise enables the algorithm to efficiently escape from the spurious local optimum. Numerical experiments are provided to support our theory., Comment: International Conference on Machine Learning (ICML), 2019

Asynchronous momentum stochastic gradient descent algorithms (Async-MSGD) is one of the most popular algorithms in distributed machine learning. However, its convergence properties for these complicated nonconvex problems is still largely unknown, because of the current technical limit. Therefore, in this paper, we propose to analyze the algorithm through a simpler but nontrivial nonconvex problem - streaming PCA, which helps us to understand Aync-MSGD better even for more general problems. Specifically, we establish the asymptotic rate of convergence of Async-MSGD for streaming PCA by diffusion approximation. Our results indicate a fundamental tradeoff between asynchrony and momentum: To ensure convergence and acceleration through asynchrony, we have to reduce the momentum (compared with Sync-MSGD). To the best of our knowledge, this is the first theoretical attempt on understanding Async-MSGD for distributed nonconvex stochastic optimization. Numerical experiments on both streaming PCA and training deep neural networks are provided to support our findings for Async-MSGD., Comment: arXiv admin note: text overlap with arXiv:1802.05155

Momentum Stochastic Gradient Descent (MSGD) algorithm has been widely applied to many nonconvex optimization problems in machine learning, e.g., training deep neural networks, variational Bayesian inference, and etc. Despite its empirical success, there is still a lack of theoretical understanding of convergence properties of MSGD. To fill this gap, we propose to analyze the algorithmic behavior of MSGD by diffusion approximations for nonconvex optimization problems with strict saddle points and isolated local optima. Our study shows that the momentum helps escape from saddle points, but hurts the convergence within the neighborhood of optima (if without the step size annealing or momentum annealing). Our theoretical discovery partially corroborates the empirical success of MSGD in training deep neural networks., Comment: arXiv admin note: text overlap with arXiv:1806.01660

Deep learning refers to the shining branch of machine learning that is based on learning levels of representations. Convolutional Neural Networks (CNN) is one kind of deep neural network. It can study concurrently. In this article, we gave a detailed analysis of the process of CNN algorithm both the forward process and back propagation. Then we applied the particular convolutional neural network to implement the typical face recognition problem by java. Then, a parallel strategy was proposed in section4. In addition, by measuring the actual time of forward and backward computing, we analysed the maximal speed up and parallel efficiency theoretically., Comment: 10 pages, 6 figures