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Many approaches for optimizing decision making systems rely on gradient based methods requiring informative feedback from the environment. However, in the case where such feedback is sparse or uninformative, such approaches may result in poor performance. Derivative-free approaches such as Bayesian Optimization mitigate the dependency on the quality of gradient feedback, but are known to scale poorly in the high-dimension setting of complex decision making systems. This problem is exacerbated if the system requires interactions between several actors cooperating to accomplish a shared goal. To address the dimensionality challenge, we propose a compact multi-layered architecture modeling the dynamics of actor interactions through the concept of role. We introduce Hessian-aware Bayesian Optimization to efficiently optimize the multi-layered architecture parameterized by a large number of parameters, and give the first improved regret bound in additive high-dimensional Bayesian Optimization since Mutny & Krause (2018). Our approach shows strong empirical results under malformed or sparse reward.

Data-driven machine learning approaches are being increasingly used to solve partial differential equations (PDEs). They have shown particularly striking successes when training an operator, which takes as input a PDE in some family, and outputs its solution. However, the architectural design space, especially given structural knowledge of the PDE family of interest, is still poorly understood. We seek to remedy this gap by studying the benefits of weight-tied neural network architectures for steady-state PDEs. To achieve this, we first demonstrate that the solution of most steady-state PDEs can be expressed as a fixed point of a non-linear operator. Motivated by this observation, we propose FNO-DEQ, a deep equilibrium variant of the FNO architecture that directly solves for the solution of a steady-state PDE as the infinite-depth fixed point of an implicit operator layer using a black-box root solver and differentiates analytically through this fixed point resulting in $\mathcal{O}(1)$ training memory. Our experiments indicate that FNO-DEQ-based architectures outperform FNO-based baselines with $4\times$ the number of parameters in predicting the solution to steady-state PDEs such as Darcy Flow and steady-state incompressible Navier-Stokes. Finally, we show FNO-DEQ is more robust when trained with datasets with more noisy observations than the FNO-based baselines, demonstrating the benefits of using appropriate inductive biases in architectural design for different neural network based PDE solvers. Further, we show a universal approximation result that demonstrates that FNO-DEQ can approximate the solution to any steady-state PDE that can be written as a fixed point equation.

We examine the linear regression problem in a challenging high-dimensional setting with correlated predictors to explain and predict relevant quantities, with explicitly allowing the regression coefficient to vary from sparse to dense. Most classical high-dimensional regression estimators require some degree of sparsity. We discuss the more recent concepts of variable screening and random projection as computationally fast dimension reduction tools, and propose a new random projection matrix tailored to the linear regression problem with a theoretical bound on the gain in expected prediction error over conventional random projections. Around this new random projection, we built the Sparse Projected Averaged Regression (SPAR) method combining probabilistic variable screening steps with the random projection steps to obtain an ensemble of small linear models. In difference to existing methods, we introduce a thresholding parameter to obtain some degree of sparsity. In extensive simulations and two real data applications we guide through the elements of this method and compare prediction and variable selection performance to various competitors. For prediction, our method performs at least as good as the best competitors in most settings with a high number of truly active variables, while variable selection remains a hard task for all methods in high dimensions.

Many existing adversarial attacks generate $L_p$-norm perturbations on image RGB space. Despite some achievements in transferability and attack success rate, the crafted adversarial examples are easily perceived by human eyes. Towards visual imperceptibility, some recent works explore unrestricted attacks without $L_p$-norm constraints, yet lacking transferability of attacking black-box models. In this work, we propose a novel imperceptible and transferable attack by leveraging both the generative and discriminative power of diffusion models. Specifically, instead of direct manipulation in pixel space, we craft perturbations in the latent space of diffusion models. Combined with well-designed content-preserving structures, we can generate human-insensitive perturbations embedded with semantic clues. For better transferability, we further "deceive" the diffusion model which can be viewed as an implicit recognition surrogate, by distracting its attention away from the target regions. To our knowledge, our proposed method, DiffAttack, is the first that introduces diffusion models into the adversarial attack field. Extensive experiments on various model structures, datasets, and defense methods have demonstrated the superiority of our attack over the existing attack methods.

Deep neural networks, while powerful for image classification, often operate as "black boxes," complicating the understanding of their decision-making processes. Various explanation methods, particularly those generating saliency maps, aim to address this challenge. However, the inconsistency issues of faithfulness metrics hinder reliable benchmarking of explanation methods. This paper employs an approach inspired by psychometrics, utilizing Krippendorf's alpha to quantify the benchmark reliability of post-hoc methods in image classification. The study proposes model training modifications, including feeding perturbed samples and employing focal loss, to enhance robustness and calibration. Empirical evaluations demonstrate significant improvements in benchmark reliability across metrics, datasets, and post-hoc methods. This pioneering work establishes a foundation for more reliable evaluation practices in the realm of post-hoc explanation methods, emphasizing the importance of model robustness in the assessment process.

The development of autonomous agents which can interact with other agents to accomplish a given task is a core area of research in artificial intelligence and machine learning. Towards this goal, the Autonomous Agents Research Group develops novel machine learning algorithms for autonomous systems control, with a specific focus on deep reinforcement learning and multi-agent reinforcement learning. Research problems include scalable learning of coordinated agent policies and inter-agent communication; reasoning about the behaviours, goals, and composition of other agents from limited observations; and sample-efficient learning based on intrinsic motivation, curriculum learning, causal inference, and representation learning. This article provides a broad overview of the ongoing research portfolio of the group and discusses open problems for future directions.

Approaches based on deep neural networks have achieved striking performance when testing data and training data share similar distribution, but can significantly fail otherwise. Therefore, eliminating the impact of distribution shifts between training and testing data is crucial for building performance-promising deep models. Conventional methods assume either the known heterogeneity of training data (e.g. domain labels) or the approximately equal capacities of different domains. In this paper, we consider a more challenging case where neither of the above assumptions holds. We propose to address this problem by removing the dependencies between features via learning weights for training samples, which helps deep models get rid of spurious correlations and, in turn, concentrate more on the true connection between discriminative features and labels. Extensive experiments clearly demonstrate the effectiveness of our method on multiple distribution generalization benchmarks compared with state-of-the-art counterparts. Through extensive experiments on distribution generalization benchmarks including PACS, VLCS, MNIST-M, and NICO, we show the effectiveness of our method compared with state-of-the-art counterparts.

Social relations are often used to improve recommendation quality when user-item interaction data is sparse in recommender systems. Most existing social recommendation models exploit pairwise relations to mine potential user preferences. However, real-life interactions among users are very complicated and user relations can be high-order. Hypergraph provides a natural way to model complex high-order relations, while its potentials for improving social recommendation are under-explored. In this paper, we fill this gap and propose a multi-channel hypergraph convolutional network to enhance social recommendation by leveraging high-order user relations. Technically, each channel in the network encodes a hypergraph that depicts a common high-order user relation pattern via hypergraph convolution. By aggregating the embeddings learned through multiple channels, we obtain comprehensive user representations to generate recommendation results. However, the aggregation operation might also obscure the inherent characteristics of different types of high-order connectivity information. To compensate for the aggregating loss, we innovatively integrate self-supervised learning into the training of the hypergraph convolutional network to regain the connectivity information with hierarchical mutual information maximization. The experimental results on multiple real-world datasets show that the proposed model outperforms the SOTA methods, and the ablation study verifies the effectiveness of the multi-channel setting and the self-supervised task. The implementation of our model is available via //github.com/Coder-Yu/RecQ.

Graph Neural Networks (GNN) has demonstrated the superior performance in many challenging applications, including the few-shot learning tasks. Despite its powerful capacity to learn and generalize from few samples, GNN usually suffers from severe over-fitting and over-smoothing as the model becomes deep, which limit the model scalability. In this work, we propose a novel Attentive GNN to tackle these challenges, by incorporating a triple-attention mechanism, \ie node self-attention, neighborhood attention, and layer memory attention. We explain why the proposed attentive modules can improve GNN for few-shot learning with theoretical analysis and illustrations. Extensive experiments show that the proposed Attentive GNN outperforms the state-of-the-art GNN-based methods for few-shot learning over the mini-ImageNet and Tiered-ImageNet datasets, with both inductive and transductive settings.

Learning with limited data is a key challenge for visual recognition. Few-shot learning methods address this challenge by learning an instance embedding function from seen classes and apply the function to instances from unseen classes with limited labels. This style of transfer learning is task-agnostic: the embedding function is not learned optimally discriminative with respect to the unseen classes, where discerning among them is the target task. In this paper, we propose a novel approach to adapt the embedding model to the target classification task, yielding embeddings that are task-specific and are discriminative. To this end, we employ a type of self-attention mechanism called Transformer to transform the embeddings from task-agnostic to task-specific by focusing on relating instances from the test instances to the training instances in both seen and unseen classes. Our approach also extends to both transductive and generalized few-shot classification, two important settings that have essential use cases. We verify the effectiveness of our model on two standard benchmark few-shot classification datasets --- MiniImageNet and CUB, where our approach demonstrates state-of-the-art empirical performance.